data_2m6z_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 2m6z _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.509 2.486 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.8 mt -142.06 -167.41 2.46 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.738 1.615 . . . . 0.0 112.956 -170.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.26 164.0 30.5 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 127.899 2.48 . . . . 0.0 111.03 -178.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.04 -44.25 0.13 Allowed 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.436 2.09 . . . . 0.0 113.269 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.17 72.35 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.597 -0.689 . . . . 0.0 112.453 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.44 -45.52 84.59 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.615 0.643 . . . . 0.0 110.921 176.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -53.81 -49.54 68.12 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.863 0.865 . . . . 0.0 110.766 175.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.2 m -56.04 -45.58 79.17 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.384 0.674 . . . . 0.0 112.127 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -67.41 -35.62 79.65 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.555 -0.716 . . . . 0.0 112.611 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.5 t -65.22 -51.19 68.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 118.628 0.649 . . . . 0.0 111.192 172.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.3 -41.15 83.78 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.189 0.996 . . . . 0.0 111.036 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.7 -53.98 50.87 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.655 0.782 . . . . 0.0 111.841 173.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.46 -54.76 41.93 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.492 0.587 . . . . 0.0 111.352 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -62.14 -26.16 68.15 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.76 -41.36 98.94 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.761 1.172 . . . . 0.0 113.717 172.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -22.1 39.77 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 118.607 1.203 . . . . 0.0 112.867 170.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.7 t -62.18 -44.41 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-O 117.948 -1.025 . . . . 0.0 111.69 168.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 40.38 -128.88 2.96 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 124.976 1.274 . . . . 0.0 115.683 168.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.76 -24.59 67.83 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 121.168 -1.195 . . . . 0.0 114.048 175.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -67.46 -12.79 61.14 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.145 1.378 . . . . 0.0 113.197 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.68 -49.95 18.54 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.644 1.178 . . . . 0.0 114.131 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.09 -39.92 97.64 Favored Glycine 0 CA--C 1.528 0.858 0 CA-C-O 119.531 -0.594 . . . . 0.0 113.605 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -40.7 91.94 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 117.885 0.843 . . . . 0.0 111.522 175.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -66.78 -38.59 86.84 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.269 -0.895 . . . . 0.0 112.124 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.62 -50.55 65.99 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-N 119.011 0.823 . . . . 0.0 112.296 169.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.13 -51.12 69.11 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.998 0.919 . . . . 0.0 112.522 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.04 -43.47 91.66 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 123.193 0.597 . . . . 0.0 112.187 174.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.06 -35.71 77.68 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 118.816 0.735 . . . . 0.0 112.884 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.8 mt -67.28 -53.68 27.65 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.622 0.769 . . . . 0.0 111.72 174.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -55.61 -45.33 77.5 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.951 0.882 . . . . 0.0 112.214 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.457 HH12 ' HB ' ' A' ' 107' ' ' VAL . 10.7 mmm-85 -55.12 -48.29 73.85 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.279 1.432 . . . . 0.0 112.96 170.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.9 tmm? -60.74 -41.8 96.09 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.544 1.065 . . . . 0.0 111.833 176.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -59.14 -43.32 92.03 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 120.226 1.375 . . . . 0.0 113.765 174.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.4 mt -75.61 -46.86 29.24 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.148 0.579 . . . . 0.0 111.437 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 t -86.5 -7.62 58.24 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.006 1.722 . . . . 0.0 114.253 -170.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CG ' HD13 ' A' ' 100' ' ' LEU . 2.0 t80 -144.27 72.15 16.17 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 123.993 0.917 . . . . 0.0 109.879 174.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -44.4 -29.53 3.18 Favored 'Trans proline' 0 C--N 1.359 1.104 1 C-N-CA 125.413 4.075 . . . . 0.0 116.556 -170.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.9 m -45.0 -35.53 2.96 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 125.849 1.659 . . . . 0.0 114.595 170.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 37.5 p -67.26 -26.07 66.38 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 121.225 1.83 . . . . 0.0 113.391 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -62.32 -26.4 68.41 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.627 -1.296 . . . . 0.0 112.446 166.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.421 HG21 ' HB2' ' D' ' 93' ' ' CYS . 0.4 OUTLIER -65.32 -17.33 64.43 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 170.638 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -0.45 6.73 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.767 1.167 . . . . 0.0 114.142 174.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 t80 47.99 59.82 16.21 Favored Pre-proline 0 CA--C 1.554 1.11 0 C-N-CA 125.252 1.421 . . . . 0.0 112.298 -171.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -55.05 133.7 59.6 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.262 1.975 . . . . 0.0 111.29 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -73.81 -11.35 60.35 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 172.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.76 155.51 30.01 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.636 1.974 . . . . 0.0 113.816 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.0 -33.8 17.05 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -176.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.9 mt 45.61 36.29 2.53 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 126.346 1.859 . . . . 0.0 114.246 -173.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.5 t -87.28 29.79 0.83 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.098 1.759 . . . . 0.0 114.229 -169.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.6 t60 61.79 138.04 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 127.65 2.38 . . . . 0.0 114.124 -165.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.93 15.92 58.8 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.698 1.142 . . . . 0.0 115.402 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -53.15 123.16 11.0 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.38 1.872 . . . . 0.0 115.017 -166.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.59 -29.19 64.27 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.087 1.355 . . . . 0.0 114.197 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -76.76 -36.31 57.15 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.529 -0.732 . . . . 0.0 112.788 176.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.9 t -72.65 -39.45 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.215 -0.928 . . . . 0.0 111.485 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -61.92 -39.57 92.5 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 119.664 1.12 . . . . 0.0 112.957 172.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.03 -47.15 39.6 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 124.104 0.859 . . . . 0.0 112.74 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -59.61 -44.38 93.43 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.958 -0.73 . . . . 0.0 111.059 171.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.24 -51.74 40.11 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 124.903 1.24 . . . . 0.0 113.403 173.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -55.71 -40.73 72.83 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 118.976 1.388 . . . . 0.0 112.931 171.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -46.15 69.51 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.536 1.062 . . . . 0.0 113.173 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.0 t -55.96 -46.15 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 124.564 1.145 . . . . 0.0 110.383 171.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.88 -46.77 86.28 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.51 -37.14 86.17 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 119.392 0.996 . . . . 0.0 111.828 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.33 -34.22 77.81 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.178 -0.951 . . . . 0.0 113.531 169.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.33 -44.95 93.46 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 120.176 1.353 . . . . 0.0 112.126 165.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.4 m -54.77 -44.5 73.74 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 120.583 1.538 . . . . 0.0 111.723 170.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -60.42 -40.81 92.39 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.262 1.025 . . . . 0.0 112.176 173.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.6 82.98 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 118.459 0.572 . . . . 0.0 111.237 172.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.0 t -58.74 -44.97 91.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 119.676 1.125 . . . . 0.0 112.029 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.21 -23.12 67.19 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.245 1.418 . . . . 0.0 113.923 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -137.11 34.81 2.56 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 125.266 1.426 . . . . 0.0 111.268 -171.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . 0.255 2.5 p -63.57 -21.79 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 O-C-N 119.359 -2.088 . . . . 0.0 115.459 -159.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -106.0 5.14 30.1 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.848 1.659 . . . . 0.0 113.007 173.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -133.92 -1.86 2.97 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.95 2.5 . . . . 0.0 112.393 -168.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.3 ptt? -73.09 -10.0 0.17 Allowed Pre-proline 0 CA--C 1.546 0.791 0 CA-C-O 114.199 -2.81 . . . . 0.0 118.008 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -38.91 -42.22 1.94 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 123.834 3.023 . . . . 0.0 116.37 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -101.75 -18.4 15.82 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 171.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.0 -23.81 64.14 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 120.529 1.513 . . . . 0.0 114.093 -176.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.7 mt -96.52 7.5 46.37 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.595 0.758 . . . . 0.0 112.121 169.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.4 t -57.97 -39.93 79.4 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.057 1.299 . . . . 0.0 113.115 -174.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.65 -32.9 67.75 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 119.169 0.895 . . . . 0.0 112.6 173.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.64 -34.47 34.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.59 1.156 . . . . 0.0 111.551 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.0 t -59.6 -51.88 67.91 Favored 'General case' 0 N--CA 1.462 0.143 0 O-C-N 122.226 -0.296 . . . . 0.0 110.986 166.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -56.75 -37.87 71.62 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.433 1.093 . . . . 0.0 111.637 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.03 -71.27 0.09 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 118.045 -0.979 . . . . 0.0 111.431 161.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -19.17 64.03 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.999 1.272 . . . . 0.0 113.697 -165.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.73 -67.96 0.83 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 126.289 1.836 . . . . 0.0 110.349 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -64.87 -15.11 61.51 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -130.7 153.15 49.28 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.446 1.898 . . . . 0.0 110.42 169.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.0 mt 57.51 -17.73 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 117.972 2.582 . . . . 0.0 117.972 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.438 ' HD3' ' HA ' ' D' ' 41' ' ' PHE . 0.0 OUTLIER 52.77 22.29 2.25 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.878 2.471 . . . . 0.0 117.05 -171.453 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.2 t -35.19 105.89 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.435 1.894 . . . . 0.0 112.927 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.66 123.74 75.76 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-O 118.42 -0.8 . . . . 0.0 111.151 -177.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -55.52 -19.86 24.7 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.993 2.462 . . . . 0.0 114.583 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.1 t -57.92 -34.69 49.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 O-C-N 119.803 -1.811 . . . . 0.0 111.034 168.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -57.12 -36.8 71.09 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 120.256 1.389 . . . . 0.0 113.91 172.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 133' ' ' SER . 3.3 t80 -56.62 -45.13 81.66 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -59.18 -34.02 71.63 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.615 -0.678 . . . . 0.0 111.57 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.407 HD13 ' CG ' ' A' ' 36' ' ' PHE . 1.4 mt -69.48 -51.03 39.77 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 124.821 1.249 . . . . 0.0 110.153 -178.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.27 -35.36 78.74 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 117.676 0.217 . . . . 0.0 110.812 176.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.7 m -66.62 -46.54 75.49 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.618 1.167 . . . . 0.0 113.146 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.466 ' CG ' HD22 ' B' ' 108' ' ' ASN . 0.4 OUTLIER -49.4 -49.98 42.47 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.477 0.58 . . . . 0.0 109.781 162.793 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 72.7 m -58.65 -40.08 82.42 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 117.727 -1.13 . . . . 0.0 113.821 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.3 mt -59.62 -58.42 8.67 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 117.522 -1.227 . . . . 0.0 111.674 168.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -45.15 -46.25 11.86 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.537 1.135 . . . . 0.0 110.933 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' B' ' 112' ' ' CYS . 55.4 t -59.15 -52.19 63.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 174.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.7 m -64.23 -36.84 85.39 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 122.015 -0.428 . . . . 0.0 112.138 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.3 mt -60.54 -46.93 88.36 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.336 0.654 . . . . 0.0 109.327 172.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.56 70.51 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.96 -5.07 3.95 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 172.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -134.81 -26.64 1.34 Allowed 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.4 mp -91.84 165.95 19.08 Favored Pre-proline 0 CA--C 1.559 1.293 0 C-N-CA 125.695 1.598 . . . . 0.0 113.294 -177.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.48 -56.97 1.21 Allowed 'Trans proline' 0 C--N 1.361 1.234 0 C-N-CA 124.001 3.134 . . . . 0.0 115.124 -170.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.408 ' C ' ' H ' ' A' ' 117' ' ' PHE . . . -121.67 -50.77 2.07 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.391 1.476 . . . . 0.0 111.115 171.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 64.3 -22.36 0.07 Allowed 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 -171.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.408 ' H ' ' C ' ' A' ' 115' ' ' ALA . 6.6 p90 -98.18 13.77 30.04 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.155 1.782 . . . . 0.0 114.842 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.46 163.86 13.53 Favored Pre-proline 0 N--CA 1.488 1.431 0 CA-C-N 120.445 1.475 . . . . 0.0 110.397 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -56.91 -50.25 12.05 Favored 'Trans proline' 0 C--N 1.348 0.552 0 CA-C-N 121.561 1.593 . . . . 0.0 111.486 169.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.5 86.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.993 0.917 . . . . 0.0 112.185 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.4 t -89.35 -41.47 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 121.297 -0.877 . . . . 0.0 112.564 -177.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -72.46 -50.32 26.97 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 120.202 1.365 . . . . 0.0 112.391 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.99 -45.49 82.95 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 119.456 1.026 . . . . 0.0 110.07 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 31.1 t -56.87 -58.7 7.0 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 174.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 58.8 mt -68.54 -33.32 73.89 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 120.466 1.485 . . . . 0.0 112.493 -174.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -62.08 -49.7 74.88 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 120.22 1.373 . . . . 0.0 112.012 170.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -29.81 57.61 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -178.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -66.02 -55.02 18.77 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 125.313 1.445 . . . . 0.0 109.736 170.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -58.61 -40.81 84.33 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.248 0.931 . . . . 0.0 108.73 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.82 -41.15 67.03 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 119.403 -2.061 . . . . 0.0 114.299 170.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.8 p -72.02 -35.47 69.42 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.946 1.703 . . . . 0.0 113.761 173.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.78 -41.96 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-N 119.814 1.188 . . . . 0.0 109.716 167.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.485 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . 3.6 t -59.39 -58.22 9.57 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.382 1.073 . . . . 0.0 111.771 169.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 55.3 m -49.66 -38.58 33.1 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.722 1.609 . . . . 0.0 112.71 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 77.5 t -83.99 -40.88 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 124.455 1.102 . . . . 0.0 112.155 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -26.28 60.36 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.59 1.541 . . . . 0.0 112.394 164.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.657 ' HG1' ' HD2' ' D' ' 40' ' ' ARG . 4.9 t -105.93 21.37 17.41 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.648 1.579 . . . . 0.0 112.56 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.9 m . . . . . 0 CA--C 1.542 0.653 0 O-C-N 120.743 -1.223 . . . . 0.0 112.543 163.077 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.306 2.6 p . . . . . 0 N--CA 1.516 2.836 0 CA-C-O 118.021 -0.99 . . . . 0.0 112.728 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 3.3 m80 31.32 63.4 0.22 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 128.109 2.564 . . . . 0.0 115.411 175.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.85 158.45 13.04 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 121.551 -0.718 . . . . 0.0 112.742 -175.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.23 148.74 95.88 Favored Pre-proline 0 N--CA 1.476 0.853 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.17 171.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -49.68 -41.91 44.51 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.5 2.8 . . . . 0.0 116.544 -177.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.54 -41.68 92.8 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.59 1.086 . . . . 0.0 113.152 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.37 -49.4 77.75 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.239 0.615 . . . . 0.0 110.448 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -55.06 -48.65 73.19 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.115 0.966 . . . . 0.0 111.103 175.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.7 t -55.37 -47.93 75.04 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.903 0.774 . . . . 0.0 111.151 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.36 -56.05 27.08 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.578 -0.701 . . . . 0.0 112.862 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.53 HG21 ' CE2' ' B' ' 130' ' ' TYR . 2.6 p -64.56 -42.75 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 120.027 1.285 . . . . 0.0 111.804 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -77.09 -29.82 55.13 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.067 0.849 . . . . 0.0 111.356 -173.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.11 -34.01 65.9 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.417 1.008 . . . . 0.0 112.52 171.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -39.59 93.46 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.189 -0.944 . . . . 0.0 110.516 169.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -56.66 -45.74 81.47 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.442 0.697 . . . . 0.0 112.314 167.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.01 -27.06 43.96 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.855 1.217 . . . . 0.0 115.919 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -102.61 -6.81 22.37 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 118.693 1.246 . . . . 0.0 113.524 173.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.448 HG22 HG13 ' B' ' 23' ' ' VAL . 0.3 OUTLIER -61.87 134.32 27.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 124.108 0.963 . . . . 0.0 111.819 -172.381 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -83.2 81.71 8.58 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 175.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 96.0 t -51.52 -37.58 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -167.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -70.17 -34.06 72.53 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.206 1.402 . . . . 0.0 114.399 174.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -98.75 -43.11 6.91 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.086 -1.009 . . . . 0.0 111.995 -173.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.448 HG13 HG22 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -58.35 -32.77 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 119.272 0.942 . . . . 0.0 110.69 163.352 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.88 -47.85 10.99 Favored Glycine 0 C--N 1.342 0.895 0 CA-C-N 119.566 1.076 . . . . 0.0 111.87 176.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.25 -42.41 55.86 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 117.869 0.835 . . . . 0.0 113.217 169.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.57 -29.69 27.61 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 117.736 -1.126 . . . . 0.0 112.903 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.63 -56.9 13.58 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 121.378 1.899 . . . . 0.0 109.641 168.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.24 -44.17 89.06 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 118.78 -0.628 . . . . 0.0 109.866 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -47.44 -60.23 5.38 Favored Glycine 0 N--CA 1.47 0.927 0 C-N-CA 125.194 1.378 . . . . 0.0 113.954 165.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -47.68 -45.52 28.34 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.486 1.515 . . . . 0.0 112.215 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -56.17 17.79 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.664 0.786 . . . . 0.0 110.663 174.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 92.9 mt -57.49 -36.2 71.21 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.862 0.865 . . . . 0.0 113.097 -174.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 34.6 m -74.34 -10.91 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -69.71 0.28 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 CA-C-N 121.018 1.735 . . . . 0.0 111.7 171.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 50.48 36.36 0.34 Allowed Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 126.089 1.756 . . . . 0.0 114.216 -165.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -77.6 -177.53 3.92 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.115 1.876 . . . . 0.0 110.779 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -48.69 -25.35 1.75 Allowed 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 175.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 81.3 p -67.77 -23.58 65.24 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 120.454 -1.403 . . . . 0.0 113.368 175.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -56.93 -21.59 31.17 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-O 118.326 -0.845 . . . . 0.0 112.715 169.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -58.09 -25.15 60.96 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 121.657 2.026 . . . . 0.0 113.52 171.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . 0.462 ' HA ' ' HD3' ' C' ' 92' ' ' ARG . 0.2 OUTLIER -88.71 5.66 42.25 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 173.468 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -48.82 -30.77 6.12 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 176.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.83 -30.63 71.7 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 57.8 m -80.43 -32.05 37.42 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.22 0.918 . . . . 0.0 111.982 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -68.6 -36.95 79.38 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.393 1.077 . . . . 0.0 111.155 171.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.94 -18.67 4.84 Favored Glycine 0 CA--C 1.539 1.556 0 O-C-N 119.978 -1.701 . . . . 0.0 114.184 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -144.53 125.82 14.75 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.907 1.683 . . . . 0.0 110.018 172.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 tt -165.36 -27.75 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.726 1.21 . . . . 0.0 113.311 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 2.3 m -54.53 -10.18 0.39 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 128.34 2.656 . . . . 0.0 117.099 -171.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.2 p -142.7 165.38 26.96 Favored Pre-proline 0 N--CA 1.476 0.871 0 C-N-CA 127.168 2.187 . . . . 0.0 109.475 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -56.7 -55.31 2.82 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 121.673 1.582 . . . . 0.0 112.168 173.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -61.0 -36.89 80.69 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.057 0.543 . . . . 0.0 111.53 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.22 -56.16 25.42 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.918 0.887 . . . . 0.0 111.855 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -72.79 -41.29 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 120.315 1.416 . . . . 0.0 113.339 -176.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 23.8 mmt -66.66 -33.72 76.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.151 0.58 . . . . 0.0 111.801 -175.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.2 3.99 62.23 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.567 1.079 . . . . 0.0 114.971 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.431 ' OD1' HG21 ' B' ' 60' ' ' VAL . 8.2 t-20 -72.2 114.67 31.39 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-N 119.604 1.702 . . . . 0.0 112.118 -176.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -57.55 -32.47 94.4 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.072 1.848 . . . . 0.0 112.869 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -71.57 -36.68 70.99 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.431 HG21 ' OD1' ' B' ' 57' ' ' ASN . 55.5 t -67.17 -40.9 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-N 120.699 1.59 . . . . 0.0 110.746 170.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -63.3 -51.45 65.99 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.201 0.91 . . . . 0.0 111.169 174.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.13 -48.88 77.59 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.922 1.289 . . . . 0.0 113.226 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -62.52 -40.05 95.52 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.693 -1.254 . . . . 0.0 111.544 174.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.09 -46.07 33.56 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.491 1.52 . . . . 0.0 113.154 166.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -60.02 -41.14 91.52 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.172 0.986 . . . . 0.0 112.221 173.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -68.04 -50.27 56.29 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.155 0.888 . . . . 0.0 112.607 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 3.8 m -59.8 -40.66 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 CA-C-N 118.997 0.817 . . . . 0.0 112.006 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 tt -83.29 -30.81 27.28 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.418 -0.802 . . . . 0.0 112.036 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.57 -44.41 93.87 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 120.511 -1.368 . . . . 0.0 111.735 168.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.71 -45.0 94.79 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.974 -0.721 . . . . 0.0 112.853 169.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.443 ' CE2' ' CE1' ' B' ' 130' ' ' TYR . 88.4 t80 -53.09 -38.38 62.5 Favored 'General case' 0 CA--C 1.55 0.969 0 O-C-N 120.715 -1.24 . . . . 0.0 113.023 171.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 6.0 t -69.29 -38.81 78.48 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.458 1.103 . . . . 0.0 113.376 172.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -56.1 -32.49 64.22 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.815 0.734 . . . . 0.0 111.256 168.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.27 -67.38 2.24 Favored Glycine 0 C--N 1.342 0.868 0 C-N-CA 124.735 1.159 . . . . 0.0 112.299 164.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.05 -21.61 32.74 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.49 -25.62 35.87 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.369 1.468 . . . . 0.0 114.203 171.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -146.04 48.61 1.21 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.688 1.595 . . . . 0.0 111.953 -168.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 97.9 mt -62.36 -19.45 63.39 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 120.201 -1.562 . . . . 0.0 113.52 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -59.79 -15.18 18.52 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 166.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -94.14 -90.71 0.2 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.248 1.019 . . . . 0.0 111.267 176.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 mm? 52.85 18.03 0.98 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -174.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -148.81 -25.55 0.31 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 128.169 2.587 . . . . 0.0 112.924 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -116.72 -41.44 0.72 Allowed Glycine 0 N--CA 1.48 1.626 0 C-N-CA 125.163 1.363 . . . . 0.0 114.652 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.4 p -61.05 -34.1 74.35 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 119.059 1.429 . . . . 0.0 113.326 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -97.53 -7.14 32.03 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 124.102 0.961 . . . . 0.0 113.02 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.33 -40.94 83.43 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 120.92 1.691 . . . . 0.0 114.467 -169.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 12.1 p -60.96 -35.5 76.94 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.044 0.938 . . . . 0.0 112.103 171.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 18.7 mt -70.37 -48.59 55.59 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.251 172.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -55.21 -37.19 66.79 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 121.038 1.744 . . . . 0.0 112.772 176.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.44 -55.84 21.0 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.127 1.771 . . . . 0.0 112.773 168.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 54.8 tp -51.65 -52.49 47.47 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.236 -0.915 . . . . 0.0 110.295 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -74.84 25.5 0.09 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 129.123 2.969 . . . . 0.0 113.569 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . 0.418 ' HB2' HG21 ' C' ' 41' ' ' THR . 5.0 p -152.78 -67.3 0.16 Allowed 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 118.682 -0.675 . . . . 0.0 112.073 154.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -53.27 -20.07 3.85 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.671 2.388 . . . . 0.0 114.908 -177.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -121.15 -22.54 6.05 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.443 1.497 . . . . 0.0 114.34 169.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 17.2 mt -138.35 85.12 2.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.776 2.03 . . . . 0.0 108.085 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -56.99 -27.93 61.96 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -7.25 115.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 129.244 3.018 . . . . 0.0 115.195 169.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.65 140.6 96.49 Favored Pre-proline 0 CA--C 1.545 0.773 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -163.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . 0.42 ' HD3' ' CE2' ' B' ' 145' ' ' TYR . 52.5 Cg_endo -70.68 -12.43 31.14 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.435 2.757 . . . . 0.0 114.295 -174.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -45.08 -39.13 5.57 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.59 1.156 . . . . 0.0 111.906 159.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.05 -39.74 94.74 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.328 1.851 . . . . 0.0 111.55 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . 0.407 ' CD2' ' HA ' ' B' ' 100' ' ' PRO . 6.2 m-30 -68.06 -42.66 80.17 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.661 1.585 . . . . 0.0 111.231 177.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -55.67 -46.7 77.51 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.321 1.049 . . . . 0.0 110.77 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 18.3 mt -63.26 -49.99 71.92 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 117.313 -1.327 . . . . 0.0 112.835 175.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 tt -54.72 -48.58 72.35 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 120.275 1.398 . . . . 0.0 110.402 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.85 -60.18 6.74 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 124.034 0.826 . . . . 0.0 114.298 172.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . 0.466 HD22 ' CG ' ' A' ' 103' ' ' HIS . 27.1 t-20 -53.1 -48.47 67.77 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.824 0.821 . . . . 0.0 111.039 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 2.9 t -58.9 -38.87 75.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 125.282 1.433 . . . . 0.0 113.564 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 51.6 tp -55.94 -51.96 65.82 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.655 -0.688 . . . . 0.0 109.782 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -52.66 -40.18 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 118.551 0.614 . . . . 0.0 111.293 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . 0.576 ' HA ' HG22 ' A' ' 107' ' ' VAL . 11.5 m -61.7 -49.79 75.04 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 178.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 5.1 p -63.96 -36.24 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 119.512 1.051 . . . . 0.0 111.87 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 5.1 mt -58.39 -43.64 88.63 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 119.329 0.968 . . . . 0.0 111.755 174.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -68.98 -27.08 65.39 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -63.18 -56.99 12.09 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 120.172 1.351 . . . . 0.0 110.537 164.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -68.55 -25.81 65.1 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.986 0.915 . . . . 0.0 112.41 -167.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -132.35 41.87 3.17 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.111 1.764 . . . . 0.0 111.104 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -56.76 -17.87 22.71 Favored Glycine 0 N--CA 1.477 1.391 0 C-N-CA 125.757 1.646 . . . . 0.0 117.093 -176.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -84.97 -1.9 57.29 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 118.371 1.086 . . . . 0.0 113.025 173.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -136.03 4.65 3.0 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.923 2.089 . . . . 0.0 112.305 -168.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -78.73 30.56 0.2 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 126.407 1.883 . . . . 0.0 115.786 -166.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.557 ' HG1' ' H ' ' B' ' 126' ' ' VAL . 7.5 p -40.0 148.26 0.32 Allowed Pre-proline 0 N--CA 1.487 1.387 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 -163.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -44.15 -45.96 11.65 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.683 2.255 . . . . 0.0 115.645 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.12 -29.26 6.67 Favored 'Trans proline' 0 C--N 1.354 0.853 0 CA-C-O 116.06 -1.725 . . . . 0.0 114.435 173.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . 0.557 ' H ' ' HG1' ' B' ' 123' ' ' THR . 1.0 OUTLIER -63.65 -37.77 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 CA-C-N 123.66 2.936 . . . . 0.0 112.525 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -69.19 -44.67 71.68 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.372 0.669 . . . . 0.0 111.732 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.46 93.79 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 170.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.73 -49.08 78.92 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.353 1.061 . . . . 0.0 110.034 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.53 ' CE2' HG21 ' B' ' 11' ' ' VAL . 0.3 OUTLIER -49.76 -54.69 17.51 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.916 0.886 . . . . 0.0 111.833 166.518 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.07 -37.51 71.94 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 118.247 -0.883 . . . . 0.0 112.824 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -62.88 -45.43 92.57 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 121.005 1.729 . . . . 0.0 112.516 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.67 -44.85 99.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 CA-C-N 118.786 0.721 . . . . 0.0 110.622 173.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.54 -47.65 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 125.628 1.571 . . . . 0.0 112.74 -177.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.55 91.24 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.605 1.162 . . . . 0.0 110.3 176.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.8 -53.77 28.21 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.977 162.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -45.59 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 119.268 1.534 . . . . 0.0 112.747 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.38 -45.18 85.09 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.657 -0.652 . . . . 0.0 111.198 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -61.64 -36.35 80.52 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.958 0.903 . . . . 0.0 112.293 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.12 -49.75 63.84 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.983 0.913 . . . . 0.0 111.406 176.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.58 -37.12 82.7 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.524 1.056 . . . . 0.0 111.601 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.64 -6.69 45.99 Favored 'General case' 0 CA--C 1.553 1.077 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 173.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -56.11 -42.35 76.67 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 119.832 -1.792 . . . . 0.0 112.7 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -63.46 -2.4 1.55 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.978 2.111 . . . . 0.0 114.718 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 145' ' ' TYR . . . . . 0.42 ' CE2' ' HD3' ' B' ' 100' ' ' PRO . 1.3 m-85 . . . . . 0 CA--C 1.552 1.045 0 C-N-CA 127.457 2.303 . . . . 0.0 111.686 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.507 2.398 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 39.3 mt -142.08 -167.29 2.43 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.598 1.559 . . . . 0.0 112.803 -170.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.36 164.05 30.4 Favored Pre-proline 0 N--CA 1.476 0.834 0 C-N-CA 127.874 2.469 . . . . 0.0 111.007 -178.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.1 -44.27 0.13 Allowed 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.397 2.065 . . . . 0.0 113.152 -176.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.15 -31.99 71.95 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.586 -0.696 . . . . 0.0 112.371 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.54 -45.54 84.95 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.745 0.702 . . . . 0.0 110.93 176.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -53.73 -49.56 67.87 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.96 0.904 . . . . 0.0 110.699 175.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 53.4 m -55.98 -45.72 78.89 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.398 0.679 . . . . 0.0 112.059 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -67.46 -35.59 79.48 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.616 -0.677 . . . . 0.0 112.488 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 91.9 t -65.24 -51.16 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 118.645 0.657 . . . . 0.0 111.146 172.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.42 -41.14 84.36 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.159 0.984 . . . . 0.0 111.0 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.56 -53.94 51.46 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.49 0.716 . . . . 0.0 111.959 173.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.58 -54.64 43.55 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.466 0.575 . . . . 0.0 111.298 176.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -62.25 -26.2 68.25 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.53 -41.46 99.2 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.784 1.183 . . . . 0.0 113.785 172.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -22.11 39.87 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 118.631 1.216 . . . . 0.0 112.796 170.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.28 -44.25 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 117.962 -1.018 . . . . 0.0 111.717 168.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 40.29 -128.78 2.89 Favored Glycine 0 CA--C 1.541 1.697 0 C-N-CA 125.179 1.371 . . . . 0.0 115.551 168.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.85 -24.61 67.82 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.236 -1.155 . . . . 0.0 114.018 175.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -67.45 -12.63 60.75 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.129 1.371 . . . . 0.0 113.265 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.66 -50.05 18.31 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.702 1.201 . . . . 0.0 114.106 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.16 -39.85 97.5 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-O 119.404 -0.664 . . . . 0.0 113.471 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.92 -40.76 91.75 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.032 0.916 . . . . 0.0 111.42 175.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -66.7 -38.67 87.21 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.212 -0.93 . . . . 0.0 112.1 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.62 -50.48 66.67 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-N 119.02 0.827 . . . . 0.0 112.279 169.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.01 -51.39 67.94 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.109 0.964 . . . . 0.0 112.511 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.84 -43.61 90.77 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.339 0.656 . . . . 0.0 112.128 174.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.7 77.71 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 118.822 0.737 . . . . 0.0 112.831 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 mt -67.25 -53.61 28.42 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.619 0.768 . . . . 0.0 111.742 174.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -55.63 -45.39 77.59 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.919 0.866 . . . . 0.0 112.2 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . 0.466 HH12 ' HB ' ' C' ' 107' ' ' VAL . 10.7 mmm-85 -55.01 -48.35 73.48 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.261 1.425 . . . . 0.0 112.927 170.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 3.8 tmm? -60.85 -41.49 95.94 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.67 1.123 . . . . 0.0 111.85 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -59.38 -43.24 92.93 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.245 1.384 . . . . 0.0 113.71 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 30.5 mt -75.71 -46.89 28.59 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.113 0.565 . . . . 0.0 111.299 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 2.9 t -86.35 -7.77 58.21 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.02 1.728 . . . . 0.0 114.202 -170.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' PHE . . . . . 0.405 ' CG ' HD12 ' C' ' 100' ' ' LEU . 2.0 t80 -144.24 72.19 16.22 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 123.978 0.911 . . . . 0.0 109.876 174.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -44.25 -29.82 3.19 Favored 'Trans proline' 0 C--N 1.357 0.999 1 C-N-CA 125.488 4.125 . . . . 0.0 116.473 -170.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 2.8 m -44.88 -35.56 2.87 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 125.878 1.671 . . . . 0.0 114.588 170.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 38.5 p -67.16 -26.07 66.47 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 121.259 1.845 . . . . 0.0 113.417 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -62.38 -26.42 68.46 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.524 -1.36 . . . . 0.0 112.43 167.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' THR . . . . . 0.418 HG21 ' HB2' ' B' ' 93' ' ' CYS . 0.4 OUTLIER -65.26 -17.3 64.39 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 170.589 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -0.62 6.89 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 174.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 t80 48.12 59.82 16.26 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 125.219 1.408 . . . . 0.0 112.266 -171.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -55.02 133.64 59.26 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.145 1.896 . . . . 0.0 111.425 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -73.8 -11.24 60.32 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 172.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.9 155.54 30.41 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.682 1.993 . . . . 0.0 113.812 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.04 -33.67 17.06 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -176.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 35.3 mt 45.52 36.3 2.44 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 126.422 1.889 . . . . 0.0 114.159 -173.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 2.5 t -87.09 29.76 0.81 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.104 1.762 . . . . 0.0 114.261 -169.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 22.8 t60 61.99 137.92 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 127.583 2.353 . . . . 0.0 114.034 -166.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.98 15.95 58.96 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 124.628 1.109 . . . . 0.0 115.356 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 49.3 m -53.12 123.19 11.05 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.323 1.849 . . . . 0.0 115.013 -166.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.59 -29.22 64.3 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.106 1.363 . . . . 0.0 114.168 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -76.72 -36.39 57.2 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.59 -0.693 . . . . 0.0 112.772 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 39.8 t -72.72 -39.4 60.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 O-C-N 121.073 -1.017 . . . . 0.0 111.542 -178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -61.95 -39.57 92.56 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 119.7 1.136 . . . . 0.0 112.909 172.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.92 -47.18 40.33 Favored Glycine 0 N--CA 1.472 1.05 0 C-N-CA 124.107 0.86 . . . . 0.0 112.851 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -59.66 -44.27 93.62 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.97 -0.723 . . . . 0.0 111.041 171.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.28 -51.81 39.96 Favored Glycine 0 C--N 1.34 0.801 0 C-N-CA 124.992 1.282 . . . . 0.0 113.331 173.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -55.72 -40.73 72.86 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.069 1.434 . . . . 0.0 113.049 171.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -46.1 69.85 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.505 1.048 . . . . 0.0 113.197 178.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 88.4 t -56.04 -46.13 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.669 1.188 . . . . 0.0 110.346 171.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.81 -46.86 86.01 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 177.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -63.62 -36.93 85.43 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.31 0.959 . . . . 0.0 111.866 175.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.44 -34.23 77.8 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 169.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.31 -45.02 93.28 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 120.103 1.32 . . . . 0.0 112.112 165.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 61.3 m -54.65 -44.65 73.42 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 120.659 1.572 . . . . 0.0 111.685 170.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -60.15 -40.99 91.8 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.295 1.038 . . . . 0.0 112.298 173.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.49 83.46 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 118.95 -0.547 . . . . 0.0 111.248 172.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 86.0 t -58.86 -44.93 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.743 1.156 . . . . 0.0 112.015 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.07 -23.2 67.24 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.166 1.387 . . . . 0.0 113.991 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -137.06 34.73 2.58 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 125.198 1.399 . . . . 0.0 111.285 -171.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 2.6 p -63.58 -21.57 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 O-C-N 119.489 -2.007 . . . . 0.0 115.458 -159.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -106.09 5.21 29.96 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 125.763 1.625 . . . . 0.0 112.987 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -133.84 -2.08 2.98 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 128.004 2.521 . . . . 0.0 112.413 -168.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 15.2 ptt? -73.02 -9.95 0.16 Allowed Pre-proline 0 CA--C 1.545 0.77 0 CA-C-O 114.176 -2.821 . . . . 0.0 118.029 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -38.88 -42.28 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 C-N-CA 123.898 3.066 . . . . 0.0 116.34 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -101.81 -18.3 15.82 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 171.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.93 -23.99 64.23 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 120.603 1.547 . . . . 0.0 114.134 -176.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 39.5 mt -96.4 7.47 46.4 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.561 0.744 . . . . 0.0 112.154 169.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 35.2 t -57.85 -40.09 79.28 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 120.061 1.301 . . . . 0.0 113.095 -174.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.45 -33.06 67.55 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.192 -0.942 . . . . 0.0 112.621 173.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.51 -34.54 35.57 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.496 1.118 . . . . 0.0 111.531 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 40.1 t -59.57 -51.66 68.89 Favored 'General case' 0 C--N 1.34 0.167 0 O-C-N 122.051 -0.406 . . . . 0.0 111.104 166.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.08 -37.68 72.22 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.472 1.109 . . . . 0.0 111.6 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.01 -71.41 0.09 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 118.017 -0.992 . . . . 0.0 111.314 161.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -19.19 63.92 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 120.017 1.281 . . . . 0.0 113.676 -165.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.84 -67.83 0.84 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.3 1.84 . . . . 0.0 110.312 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -64.84 -15.13 61.44 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -175.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -130.72 153.1 49.35 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.615 1.966 . . . . 0.0 110.442 169.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 21.8 mt 57.37 -17.54 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 118.057 2.614 . . . . 0.0 118.057 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . 0.462 ' HD3' ' HA ' ' B' ' 41' ' ' PHE . 0.0 OUTLIER 52.64 22.34 2.19 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 127.864 2.466 . . . . 0.0 117.058 -171.543 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 5.2 t -35.21 106.04 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.52 1.928 . . . . 0.0 112.748 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.88 123.84 76.91 Favored Pre-proline 0 CA--C 1.544 0.744 0 CA-C-O 118.455 -0.783 . . . . 0.0 111.06 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -55.54 -19.84 24.76 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.861 2.374 . . . . 0.0 114.551 175.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 74.6 t -57.91 -34.64 49.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 119.721 -1.862 . . . . 0.0 111.018 169.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -57.13 -36.72 71.04 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 120.298 1.408 . . . . 0.0 113.943 172.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . 0.477 ' CD1' ' HB2' ' C' ' 133' ' ' SER . 3.3 t80 -56.72 -45.03 82.13 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -59.31 -33.86 71.62 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.488 -0.758 . . . . 0.0 111.554 -176.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 100' ' ' LEU . . . . . 0.405 HD12 ' CG ' ' C' ' 36' ' ' PHE . 1.4 mt -69.61 -51.14 37.77 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 124.898 1.279 . . . . 0.0 110.069 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.29 -35.39 78.87 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 117.805 0.275 . . . . 0.0 110.756 176.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 66.4 m -66.53 -46.5 75.95 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.432 1.093 . . . . 0.0 113.254 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 103' ' ' HIS . . . . . 0.459 ' CG ' HD22 ' D' ' 108' ' ' ASN . 0.4 OUTLIER -49.25 -49.92 41.12 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.637 0.653 . . . . 0.0 109.857 162.708 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 73.9 m -58.8 -40.11 83.11 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 117.698 -1.144 . . . . 0.0 113.819 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 60.6 mt -59.48 -58.54 8.14 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 117.397 -1.287 . . . . 0.0 111.683 168.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 mt -45.07 -46.3 11.48 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.395 1.078 . . . . 0.0 110.957 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . 0.568 HG22 ' HA ' ' D' ' 112' ' ' CYS . 55.1 t -58.95 -52.44 60.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 174.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 87.1 m -63.97 -37.04 85.97 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.966 -0.459 . . . . 0.0 112.213 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 mt -60.42 -46.86 88.49 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.411 0.684 . . . . 0.0 109.36 172.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.52 70.68 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 177.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.75 -5.3 3.98 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 172.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -134.72 -26.67 1.36 Allowed 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 -176.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.4 mp -91.97 165.87 19.12 Favored Pre-proline 0 CA--C 1.556 1.205 0 C-N-CA 125.66 1.584 . . . . 0.0 113.339 -177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -58.4 -56.66 1.41 Allowed 'Trans proline' 0 C--N 1.363 1.307 0 C-N-CA 123.937 3.091 . . . . 0.0 115.24 -170.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . 0.405 ' C ' ' H ' ' C' ' 117' ' ' PHE . . . -121.94 -50.95 2.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.338 1.455 . . . . 0.0 111.007 171.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 64.38 -22.31 0.07 Allowed 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -171.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 117' ' ' PHE . . . . . 0.405 ' H ' ' C ' ' C' ' 115' ' ' ALA . 6.7 p90 -98.26 13.71 30.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.188 1.795 . . . . 0.0 114.89 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.5 163.87 13.61 Favored Pre-proline 0 N--CA 1.487 1.41 0 CA-C-N 120.349 1.431 . . . . 0.0 110.279 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -56.89 -50.17 12.32 Favored 'Trans proline' 0 C--N 1.351 0.695 0 CA-C-N 121.589 1.603 . . . . 0.0 111.592 169.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.6 87.09 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.018 0.927 . . . . 0.0 112.06 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 39.1 t -89.27 -41.42 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.273 -0.892 . . . . 0.0 112.581 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -72.38 -50.53 25.93 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.23 1.377 . . . . 0.0 112.282 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.34 83.41 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.319 0.963 . . . . 0.0 110.001 175.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 30.9 t -56.94 -58.68 7.12 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-O 118.4 -0.81 . . . . 0.0 113.181 174.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 59.0 mt -68.53 -33.3 73.88 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 120.483 1.492 . . . . 0.0 112.497 -174.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.17 -49.65 74.98 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 120.164 1.347 . . . . 0.0 112.051 170.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.14 -29.97 58.0 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -178.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -65.93 -54.94 19.95 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 125.19 1.396 . . . . 0.0 109.892 170.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -58.74 -40.75 84.73 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.214 0.915 . . . . 0.0 108.734 175.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.64 -41.34 66.66 Favored 'General case' 0 CA--C 1.55 0.978 0 O-C-N 119.391 -2.068 . . . . 0.0 114.23 170.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 28.4 p -71.87 -35.78 69.9 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 120.929 1.695 . . . . 0.0 113.672 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 56.3 t -56.7 -41.93 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 119.823 1.192 . . . . 0.0 109.627 167.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 133' ' ' SER . . . . . 0.477 ' HB2' ' CD1' ' C' ' 98' ' ' PHE . 3.6 t -59.33 -58.42 8.71 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.587 1.155 . . . . 0.0 111.671 169.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 55.3 m -49.65 -38.56 32.81 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.732 1.613 . . . . 0.0 112.612 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 76.4 t -83.93 -40.88 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 124.491 1.116 . . . . 0.0 112.303 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -26.35 60.48 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.533 1.515 . . . . 0.0 112.244 164.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 4.9 t -105.9 21.39 17.38 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.717 1.607 . . . . 0.0 112.591 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 27.1 m . . . . . 0 CA--C 1.542 0.64 0 O-C-N 120.75 -1.219 . . . . 0.0 112.483 163.098 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.303 2.6 p . . . . . 0 N--CA 1.519 2.985 0 CA-C-O 117.985 -1.007 . . . . 0.0 112.711 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 3.3 m80 31.35 63.31 0.22 Allowed 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 128.082 2.553 . . . . 0.0 115.375 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 158.38 13.04 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 121.567 -0.708 . . . . 0.0 112.78 -175.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.36 148.62 95.62 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.121 171.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -49.54 -41.87 43.5 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 123.399 2.733 . . . . 0.0 116.625 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.6 -41.73 92.44 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.714 1.143 . . . . 0.0 113.152 174.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.21 -49.59 77.03 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.408 0.683 . . . . 0.0 110.385 172.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -54.78 -48.9 72.12 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.063 0.945 . . . . 0.0 111.176 175.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -55.13 -48.05 74.19 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.935 0.789 . . . . 0.0 111.202 175.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.29 -56.04 27.25 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.451 -0.78 . . . . 0.0 112.93 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 11' ' ' VAL . . . . . 0.532 HG21 ' CE2' ' D' ' 130' ' ' TYR . 2.6 p -64.61 -42.66 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 119.973 1.26 . . . . 0.0 111.812 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -77.29 -29.75 53.93 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.016 0.825 . . . . 0.0 111.251 -173.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.17 -33.91 65.71 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.548 1.067 . . . . 0.0 112.439 171.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -39.19 92.23 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.167 -0.958 . . . . 0.0 110.664 169.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -56.81 -45.65 82.12 Favored 'General case' 0 C--O 1.21 -0.978 0 C-N-CA 123.489 0.715 . . . . 0.0 112.52 166.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.83 -27.37 43.66 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 124.829 1.204 . . . . 0.0 115.949 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -102.45 -6.97 22.34 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.671 1.236 . . . . 0.0 113.553 173.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.444 HG22 HG12 ' D' ' 23' ' ' VAL . 0.3 OUTLIER -61.75 134.17 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 124.174 0.989 . . . . 0.0 111.852 -172.393 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -83.11 81.71 8.57 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 96.3 t -51.5 -37.56 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 119.766 1.166 . . . . 0.0 114.087 -167.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -70.27 -34.11 72.41 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.07 1.348 . . . . 0.0 114.347 174.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -98.61 -43.01 7.0 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.135 -0.978 . . . . 0.0 112.223 -173.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . 0.444 HG12 HG22 ' D' ' 18' ' ' VAL . 0.3 OUTLIER -58.44 -32.83 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 121.241 -0.912 . . . . 0.0 110.755 163.223 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.71 -48.11 10.88 Favored Glycine 0 C--N 1.344 1.006 0 CA-C-N 119.585 1.084 . . . . 0.0 111.857 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.01 -42.57 54.54 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 117.899 0.849 . . . . 0.0 113.127 169.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.54 -29.44 27.87 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-O 117.783 -1.103 . . . . 0.0 112.839 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.93 -56.8 14.01 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 121.401 1.909 . . . . 0.0 109.355 168.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.42 -44.09 88.49 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 118.813 -0.613 . . . . 0.0 109.808 -176.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -47.53 -60.17 5.47 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 125.055 1.312 . . . . 0.0 113.965 165.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -47.7 -45.45 28.5 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.496 1.518 . . . . 0.0 112.146 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -56.14 17.57 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.724 0.809 . . . . 0.0 110.579 174.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 93.4 mt -57.52 -36.04 71.06 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -175.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 34.6 m -74.3 -10.89 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 116.172 1.916 . . . . 0.0 116.172 -177.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.66 0.22 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 120.953 1.706 . . . . 0.0 111.72 171.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 50.56 36.29 0.34 Allowed Pre-proline 0 CA--C 1.556 1.175 0 C-N-CA 125.976 1.71 . . . . 0.0 114.291 -165.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -77.51 -177.63 3.99 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.184 1.923 . . . . 0.0 110.862 -176.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -48.7 -25.32 1.74 Allowed 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 175.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 81.0 p -67.66 -23.51 65.33 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 120.443 -1.41 . . . . 0.0 113.324 175.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -56.76 -21.57 29.34 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 118.279 -0.867 . . . . 0.0 112.911 169.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . 0.657 ' HD2' ' HG1' ' A' ' 137' ' ' THR . 15.2 mmp_? -58.17 -25.34 61.41 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.631 2.014 . . . . 0.0 113.649 171.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 41' ' ' PHE . . . . . 0.438 ' HA ' ' HD3' ' A' ' 92' ' ' ARG . 0.2 OUTLIER -88.57 5.59 42.07 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 173.409 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -48.77 -30.91 6.19 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 176.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.69 -30.65 71.73 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 58.0 m -80.56 -31.99 36.73 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 119.218 0.917 . . . . 0.0 111.793 174.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -68.75 -36.82 78.84 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.344 1.058 . . . . 0.0 111.081 171.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.9 -18.57 4.88 Favored Glycine 0 CA--C 1.539 1.543 0 O-C-N 120.067 -1.646 . . . . 0.0 114.165 176.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -144.51 126.48 15.43 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.906 1.682 . . . . 0.0 110.048 171.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 tt -165.92 -27.79 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.907 1.283 . . . . 0.0 113.222 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 2.3 m -54.56 -10.02 0.38 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 128.278 2.631 . . . . 0.0 117.159 -171.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 2.2 p -142.87 165.26 27.38 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 127.242 2.217 . . . . 0.0 109.469 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.6 -55.4 2.78 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 121.74 1.627 . . . . 0.0 112.13 173.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -60.93 -36.9 80.53 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.169 0.588 . . . . 0.0 111.593 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.13 -56.28 23.8 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.885 0.874 . . . . 0.0 111.821 174.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -72.83 -41.24 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 120.159 1.345 . . . . 0.0 113.333 -176.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 23.8 mmt -66.6 -33.81 76.5 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.149 0.58 . . . . 0.0 111.776 -175.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.08 3.9 62.4 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.665 1.126 . . . . 0.0 115.009 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 57' ' ' ASN . . . . . 0.434 ' OD1' HG21 ' D' ' 60' ' ' VAL . 8.2 t-20 -72.47 114.92 34.2 Favored Pre-proline 0 CA--C 1.542 0.637 0 CA-C-N 119.589 1.694 . . . . 0.0 112.037 -175.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -57.36 -33.18 95.76 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.165 1.91 . . . . 0.0 112.797 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -71.08 -36.53 72.27 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 60' ' ' VAL . . . . . 0.434 HG21 ' OD1' ' D' ' 57' ' ' ASN . 55.8 t -67.45 -40.69 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 CA-C-N 120.648 1.567 . . . . 0.0 110.68 170.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -63.38 -51.49 65.63 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.269 0.941 . . . . 0.0 111.107 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.1 -48.8 77.72 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.898 1.279 . . . . 0.0 113.361 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -62.78 -39.69 94.97 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.756 -1.215 . . . . 0.0 111.626 174.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.37 -46.01 36.05 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.408 1.48 . . . . 0.0 113.128 166.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -59.81 -41.23 90.8 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.255 1.028 . . . . 0.0 112.385 173.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -67.92 -50.34 56.64 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.033 0.833 . . . . 0.0 112.599 178.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 3.8 m -59.84 -40.64 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 CA-C-N 119.013 0.824 . . . . 0.0 112.081 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 tt -83.39 -30.81 27.07 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.402 -0.811 . . . . 0.0 111.901 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.55 -44.38 93.84 Favored Glycine 0 CA--C 1.533 1.191 0 O-C-N 120.45 -1.406 . . . . 0.0 111.773 168.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.8 95.17 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 169.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . 0.439 ' CE2' ' CE1' ' D' ' 130' ' ' TYR . 88.5 t80 -53.32 -38.37 63.14 Favored 'General case' 0 CA--C 1.549 0.917 0 O-C-N 120.771 -1.205 . . . . 0.0 112.877 171.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 6.0 t -69.33 -38.69 78.31 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.404 1.082 . . . . 0.0 113.387 172.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -56.18 -32.45 64.35 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.836 0.743 . . . . 0.0 111.212 168.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.21 -67.44 2.21 Favored Glycine 0 C--N 1.34 0.756 0 C-N-CA 124.789 1.185 . . . . 0.0 112.325 164.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.09 -21.65 33.6 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.41 -25.6 36.06 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.381 1.472 . . . . 0.0 114.295 171.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -145.99 48.74 1.21 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.68 1.592 . . . . 0.0 111.956 -168.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 98.2 mt -62.57 -19.43 63.68 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 120.125 -1.61 . . . . 0.0 113.366 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -59.82 -15.13 18.4 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.458 1.503 . . . . 0.0 115.043 166.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -94.26 -90.69 0.21 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.091 0.956 . . . . 0.0 111.203 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 mm? 52.74 18.16 0.97 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -174.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -148.81 -25.69 0.31 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 128.131 2.572 . . . . 0.0 112.801 -176.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -116.61 -41.46 0.73 Allowed Glycine 0 N--CA 1.48 1.601 0 C-N-CA 125.231 1.396 . . . . 0.0 114.67 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.3 p -61.1 -34.18 74.53 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 119.08 1.44 . . . . 0.0 113.296 175.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -97.47 -7.12 32.26 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 124.164 0.986 . . . . 0.0 112.972 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.48 -40.81 83.78 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 121.046 1.748 . . . . 0.0 114.433 -169.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 11.9 p -61.08 -35.41 76.91 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.121 0.968 . . . . 0.0 112.022 171.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 18.8 mt -70.55 -48.44 55.38 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-O 117.851 -1.071 . . . . 0.0 110.294 172.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -55.12 -37.36 66.79 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 121.104 1.775 . . . . 0.0 112.726 176.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.49 -55.57 23.04 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.12 1.768 . . . . 0.0 112.883 168.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 54.6 tp -51.84 -52.54 48.67 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.234 -0.916 . . . . 0.0 110.177 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -74.74 25.5 0.09 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 129.062 2.945 . . . . 0.0 113.567 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 93' ' ' CYS . . . . . 0.421 ' HB2' HG21 ' A' ' 41' ' ' THR . 4.8 p -152.86 -67.3 0.16 Allowed 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 118.685 -0.674 . . . . 0.0 112.028 154.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -53.35 -20.16 4.14 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 127.715 2.406 . . . . 0.0 114.805 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -121.04 -22.73 6.04 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.404 1.481 . . . . 0.0 114.279 169.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 16.8 mt -138.22 85.07 2.07 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.841 2.057 . . . . 0.0 108.243 -177.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -56.89 -27.99 61.34 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -7.26 115.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 129.299 3.04 . . . . 0.0 115.158 169.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.62 140.58 96.52 Favored Pre-proline 0 CA--C 1.546 0.793 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -163.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 100' ' ' PRO . . . . . 0.427 ' HD3' ' CE2' ' D' ' 145' ' ' TYR . 52.6 Cg_endo -70.71 -12.27 30.84 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.372 2.714 . . . . 0.0 114.305 -174.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -45.12 -39.24 5.79 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.668 1.187 . . . . 0.0 111.781 159.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -63.99 -39.59 94.46 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.245 1.818 . . . . 0.0 111.588 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 103' ' ' PHE . . . . . 0.409 ' CD2' ' HA ' ' D' ' 100' ' ' PRO . 6.3 m-30 -68.21 -42.67 79.49 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.865 1.666 . . . . 0.0 111.142 177.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -55.7 -46.7 77.61 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.308 1.043 . . . . 0.0 110.796 174.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 18.3 mt -63.18 -49.92 72.37 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 117.327 -1.32 . . . . 0.0 112.928 175.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 tt -54.86 -48.16 73.28 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 120.293 1.406 . . . . 0.0 110.398 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -50.61 -59.82 7.5 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 123.93 0.776 . . . . 0.0 114.06 172.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 108' ' ' ASN . . . . . 0.459 HD22 ' CG ' ' C' ' 103' ' ' HIS . 27.2 t-20 -53.07 -48.46 67.7 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 122.006 0.908 . . . . 0.0 110.963 178.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.12 -38.48 74.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 125.343 1.457 . . . . 0.0 113.572 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 50.7 tp -56.39 -51.86 66.75 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.377 0.671 . . . . 0.0 109.642 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -52.62 -40.24 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 118.551 0.614 . . . . 0.0 111.267 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 112' ' ' CYS . . . . . 0.568 ' HA ' HG22 ' C' ' 107' ' ' VAL . 11.7 m -61.67 -50.02 74.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 178.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 5.3 p -63.6 -36.23 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 119.508 1.049 . . . . 0.0 112.067 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 5.1 mt -58.53 -43.51 89.24 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.056 0.844 . . . . 0.0 111.821 174.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.09 -26.97 65.2 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 173.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -63.2 -57.05 11.8 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 120.203 1.365 . . . . 0.0 110.5 164.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -68.52 -25.85 65.15 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.005 0.922 . . . . 0.0 112.432 -167.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -132.23 41.72 3.2 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.199 1.8 . . . . 0.0 111.208 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -56.69 -18.0 22.68 Favored Glycine 0 N--CA 1.477 1.43 0 C-N-CA 125.775 1.655 . . . . 0.0 117.017 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -84.79 -1.97 57.07 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 118.372 1.086 . . . . 0.0 113.084 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -136.13 4.68 2.98 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.857 2.063 . . . . 0.0 112.216 -168.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -78.62 30.55 0.19 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 126.47 1.908 . . . . 0.0 115.794 -166.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 123' ' ' THR . . . . . 0.574 ' HG1' ' H ' ' D' ' 126' ' ' VAL . 7.4 p -40.15 148.37 0.33 Allowed Pre-proline 0 N--CA 1.486 1.353 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -163.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -44.08 -46.09 11.41 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.698 2.265 . . . . 0.0 115.664 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.94 -29.36 6.88 Favored 'Trans proline' 0 C--N 1.353 0.812 0 CA-C-O 116.162 -1.683 . . . . 0.0 114.463 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 126' ' ' VAL . . . . . 0.574 ' H ' ' HG1' ' D' ' 123' ' ' THR . 1.0 OUTLIER -63.69 -37.85 80.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 CA-C-N 123.663 2.938 . . . . 0.0 112.567 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -69.07 -44.91 71.62 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.363 0.665 . . . . 0.0 111.773 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.64 92.9 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 169.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.38 77.46 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.146 0.978 . . . . 0.0 109.988 176.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 130' ' ' TYR . . . . . 0.532 ' CE2' HG21 ' D' ' 11' ' ' VAL . 0.3 OUTLIER -49.5 -54.71 16.37 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.925 0.89 . . . . 0.0 111.735 166.738 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -37.48 71.89 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 118.318 -0.848 . . . . 0.0 112.737 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -63.2 -45.26 92.56 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.951 1.705 . . . . 0.0 112.35 175.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.79 -44.72 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 CA-C-N 118.853 0.752 . . . . 0.0 110.639 173.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.61 -47.58 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.577 1.551 . . . . 0.0 112.658 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.43 91.2 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.557 1.143 . . . . 0.0 110.405 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.79 -53.91 27.53 Favored Glycine 0 C--N 1.343 0.958 0 CA-C-O 119.12 -0.822 . . . . 0.0 113.067 162.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -56.9 -45.75 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 119.267 1.533 . . . . 0.0 112.78 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.28 -45.1 85.79 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.618 -0.676 . . . . 0.0 111.272 177.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -61.86 -36.07 80.16 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.981 0.913 . . . . 0.0 112.237 174.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.34 -49.69 63.04 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 124.064 0.946 . . . . 0.0 111.335 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.61 -36.98 82.28 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.645 1.112 . . . . 0.0 111.662 174.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.72 -6.65 46.0 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 114.989 1.478 . . . . 0.0 114.989 173.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -56.08 -42.41 76.67 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 119.909 -1.745 . . . . 0.0 112.659 -177.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -63.46 -2.29 1.51 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.931 2.092 . . . . 0.0 114.724 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 145' ' ' TYR . . . . . 0.427 ' CE2' ' HD3' ' D' ' 100' ' ' PRO . 1.3 m-85 -100.0 6.68 45.08 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 127.508 2.323 . . . . 0.0 111.51 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.365 0 C-N-CA 127.653 2.381 . . . . 0.0 114.437 163.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 24.3 m . . . . . 0 N--CA 1.507 2.377 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.405 HD12 HG23 ' A' ' 73' ' ' VAL . 5.1 mp -140.56 -171.11 3.15 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 119.974 -1.704 . . . . 0.0 110.749 172.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 p -112.76 141.3 25.17 Favored Pre-proline 0 N--CA 1.476 0.853 0 C-N-CA 126.188 1.795 . . . . 0.0 112.033 -176.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.25 -48.74 20.2 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 124.049 3.166 . . . . 0.0 116.126 -169.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.2 -40.0 92.34 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 122.155 -0.34 . . . . 0.0 111.5 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.98 -39.87 95.09 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.79 0.436 . . . . 0.0 111.062 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -55.91 -49.9 72.18 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.628 0.649 . . . . 0.0 110.991 171.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.7 m -59.37 -44.66 92.69 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.63 0.772 . . . . 0.0 111.79 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -62.18 -41.79 98.66 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.56 -0.713 . . . . 0.0 111.975 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.2 t -61.15 -49.16 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.841 1.256 . . . . 0.0 111.463 173.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -58.44 -46.45 86.52 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 118.912 0.778 . . . . 0.0 111.637 175.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.91 -52.6 64.83 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.467 0.707 . . . . 0.0 111.514 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.88 -51.88 67.33 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.307 0.643 . . . . 0.0 111.954 177.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -64.01 -28.03 69.52 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.501 -0.749 . . . . 0.0 112.994 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.05 -42.45 99.59 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.497 1.046 . . . . 0.0 113.256 170.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -70.25 -35.08 73.58 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.664 1.232 . . . . 0.0 111.365 174.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.46 -50.47 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.043 0.937 . . . . 0.0 111.595 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.55 -139.15 9.64 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.02 0.819 . . . . 0.0 114.23 178.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.11 -22.44 50.86 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -69.94 -6.57 33.95 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 174.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.68 -47.15 29.71 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.416 1.007 . . . . 0.0 113.158 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.33 -37.89 95.56 Favored Glycine 0 N--CA 1.471 0.989 0 O-C-N 121.979 -0.45 . . . . 0.0 113.579 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -63.84 -46.15 86.36 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.953 0.901 . . . . 0.0 110.76 174.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -68.6 -36.86 79.25 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.35 -51.52 58.29 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 118.849 0.749 . . . . 0.0 112.164 170.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.69 -50.47 68.19 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.522 0.729 . . . . 0.0 111.617 175.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -67.78 -35.62 79.0 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -177.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.85 83.44 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.098 0.863 . . . . 0.0 112.674 172.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.4 mt -64.37 -51.45 63.22 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.698 0.681 . . . . 0.0 111.534 173.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -57.28 -46.05 83.5 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.026 0.83 . . . . 0.0 112.257 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.5 ttm105 -58.81 -47.31 85.23 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 125.075 1.35 . . . . 0.0 111.64 174.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 61.8 ttp -53.49 -46.33 69.96 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.515 1.052 . . . . 0.0 112.922 173.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -61.34 -17.47 54.01 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 174.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.1 mt -100.63 -46.53 5.15 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.387 1.075 . . . . 0.0 110.299 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.2 m -68.07 -29.2 68.1 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 126.926 2.09 . . . . 0.0 114.668 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -135.15 76.12 58.4 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 125.861 1.664 . . . . 0.0 109.826 -177.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -46.64 -25.6 3.7 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 124.74 3.626 . . . . 0.0 115.476 -178.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.9 m -46.28 -38.74 8.99 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.848 1.659 . . . . 0.0 114.508 170.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.8 p -65.12 -31.42 72.61 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 119.695 -1.878 . . . . 0.0 112.349 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -58.57 -34.58 71.21 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.983 1.313 . . . . 0.0 112.344 173.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.87 -19.06 65.74 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -9.52 42.38 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 121.212 -0.93 . . . . 0.0 113.237 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 46.71 64.36 8.49 Favored Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 124.927 1.291 . . . . 0.0 112.352 -168.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -47.81 145.02 10.44 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 123.869 3.046 . . . . 0.0 114.861 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.46 4.45 4.79 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 -175.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.88 -175.94 3.95 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.752 1.621 . . . . 0.0 113.406 -168.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -122.67 142.8 50.28 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.88 1.272 . . . . 0.0 111.179 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -145.62 31.29 1.08 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.923 1.289 . . . . 0.0 113.114 -165.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.5 t -73.81 38.4 0.1 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.609 1.964 . . . . 0.0 114.347 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.1 m170 63.24 147.13 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 129.0 2.92 . . . . 0.0 114.385 -170.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.91 17.5 51.12 Favored Glycine 0 CA--C 1.543 1.813 0 C-N-CA 124.522 1.058 . . . . 0.0 115.551 -176.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -62.31 133.01 54.53 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.775 1.23 . . . . 0.0 113.562 -170.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.69 -27.47 67.89 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.107 1.363 . . . . 0.0 113.266 171.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -82.94 -40.72 19.74 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.437 0.695 . . . . 0.0 111.471 177.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.92 -41.69 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 O-C-N 121.489 -0.757 . . . . 0.0 111.962 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -62.12 -38.86 90.54 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 119.783 1.174 . . . . 0.0 112.696 175.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.63 -53.49 27.73 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 124.174 0.893 . . . . 0.0 111.936 176.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -56.2 -44.68 79.72 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 117.661 0.731 . . . . 0.0 111.56 174.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.52 -48.68 64.02 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.281 0.943 . . . . 0.0 114.123 172.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -56.18 -42.93 77.87 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 118.55 1.175 . . . . 0.0 112.926 170.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.46 -42.02 68.68 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.063 0.847 . . . . 0.0 111.157 -178.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.8 t -55.4 -49.07 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.723 1.209 . . . . 0.0 110.437 169.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.28 86.94 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -63.77 -39.16 93.59 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.127 0.876 . . . . 0.0 112.253 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.05 81.68 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.421 -0.799 . . . . 0.0 112.626 169.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.94 -42.88 94.29 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.38 -0.825 . . . . 0.0 111.635 170.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.9 m -57.39 -44.38 84.44 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.851 1.205 . . . . 0.0 111.96 171.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -58.47 -47.66 83.33 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.804 0.842 . . . . 0.0 110.933 171.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.21 -32.08 70.77 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 174.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.2 t -71.89 -48.79 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 120.125 1.33 . . . . 0.0 110.679 171.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.47 -27.8 67.83 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.217 1.407 . . . . 0.0 113.588 -177.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -124.07 28.03 6.93 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 125.572 1.549 . . . . 0.0 112.105 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.405 HG23 HD12 ' A' ' 2' ' ' LEU . 14.3 p -50.32 -37.21 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 115.17 1.544 . . . . 0.0 115.17 -171.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -103.34 9.48 37.92 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -142.03 33.8 1.55 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.003 2.121 . . . . 0.0 111.122 -171.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.0 ptt? -116.49 55.75 1.39 Allowed Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 125.711 1.605 . . . . 0.0 113.178 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -65.15 -37.25 33.1 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 122.028 1.818 . . . . 0.0 112.269 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -142.76 19.3 2.0 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.532 1.533 . . . . 0.0 113.08 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.81 -10.36 36.98 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 120.131 -1.605 . . . . 0.0 114.548 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.1 mt -113.41 17.67 18.28 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.943 1.697 . . . . 0.0 111.55 171.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.0 t -56.83 -38.74 73.05 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.601 1.16 . . . . 0.0 112.746 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.15 -28.8 59.38 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 173.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mt -84.0 -41.94 16.74 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.007 0.923 . . . . 0.0 111.395 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.4 t -54.81 -42.55 71.98 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 122.682 0.393 . . . . 0.0 111.08 166.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -63.07 -45.81 90.4 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.004 1.322 . . . . 0.0 112.315 174.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.91 -44.82 70.86 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.885 0.766 . . . . 0.0 111.364 173.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -67.51 -63.27 1.09 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.458 0.572 . . . . 0.0 110.888 174.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.06 -30.92 71.97 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -169.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -103.18 2.45 34.5 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.165 0.986 . . . . 0.0 113.159 -171.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -149.76 -32.68 0.2 Allowed 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -174.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 97.2 mt -124.92 -117.91 0.28 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.063 1.745 . . . . 0.0 107.872 168.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 155.64 48.03 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.263 0 C-N-CA 130.495 3.518 . . . . 0.0 113.206 163.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 23.9 t -68.65 140.17 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 O-C-N 120.584 -1.322 . . . . 0.0 112.692 -169.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.71 143.03 51.58 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 126.365 1.866 . . . . 0.0 113.629 175.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.63 -22.14 65.74 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.951 2.434 . . . . 0.0 113.251 165.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 36.9 t -52.38 -46.57 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 O-C-N 120.776 -1.203 . . . . 0.0 110.756 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -60.99 -40.97 95.55 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.896 0.771 . . . . 0.0 112.189 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 3.3 t80 -54.06 -46.78 72.06 Favored 'General case' 0 C--N 1.343 0.287 0 O-C-N 121.539 -0.725 . . . . 0.0 111.264 173.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -56.67 -34.8 67.71 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 118.73 0.695 . . . . 0.0 111.741 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.0 mt -63.77 -52.05 62.1 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.149 0.979 . . . . 0.0 110.678 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -41.44 92.94 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.305 1.042 . . . . 0.0 111.99 174.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.0 t -54.3 -52.17 62.3 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.805 1.242 . . . . 0.0 111.927 173.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -58.3 -42.39 86.54 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.197 -0.939 . . . . 0.0 111.246 173.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 87.6 m -70.16 -9.34 55.38 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 175.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.5 mt -92.13 -47.81 7.05 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.139 1.776 . . . . 0.0 111.767 168.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 54.5 mt -51.22 -46.85 62.38 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.611 1.165 . . . . 0.0 111.128 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.425 HG22 ' HG3' ' B' ' 127' ' ' GLN . 7.1 p -52.55 -44.8 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 169.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -64.1 -43.18 96.16 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 123.314 0.646 . . . . 0.0 111.029 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.4 -45.92 88.82 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.41 -32.19 64.6 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.95 -17.61 62.06 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 175.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -118.99 -30.41 5.02 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -174.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.6 mp -78.34 175.91 4.17 Favored Pre-proline 0 CA--C 1.554 1.132 0 C-N-CA 124.55 1.14 . . . . 0.0 110.835 172.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.49 -154.46 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.653 3.569 . . . . 0.0 113.316 156.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.39 57.95 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.779 1.632 . . . . 0.0 114.488 174.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -42.47 -27.61 0.17 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 127.772 2.429 . . . . 0.0 114.249 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -69.8 6.89 1.02 Allowed 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 116.318 1.97 . . . . 0.0 116.318 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.76 160.48 2.82 Favored Pre-proline 0 N--CA 1.49 1.571 0 CA-C-N 121.281 1.855 . . . . 0.0 112.523 175.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -54.45 -50.3 13.92 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.154 1.902 . . . . 0.0 112.491 169.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.49 -54.43 43.43 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.58 0.352 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 46.0 t -75.07 -40.72 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 120.999 -1.063 . . . . 0.0 111.994 -172.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -74.7 -47.5 31.16 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 120.155 1.343 . . . . 0.0 112.709 178.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.63 -47.43 84.44 Favored 'General case' 0 C--N 1.345 0.413 0 CA-C-N 120.1 1.318 . . . . 0.0 110.718 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 99.5 p -60.57 -48.22 82.75 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 117.324 -1.322 . . . . 0.0 113.453 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.2 mt -67.42 -43.83 80.29 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 120.798 1.635 . . . . 0.0 111.886 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.63 -51.09 71.29 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.402 1.001 . . . . 0.0 112.014 177.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.433 ' HG2' ' HZ2' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -71.65 -29.27 64.44 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 178.118 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -62.97 -53.78 48.62 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 119.586 1.085 . . . . 0.0 110.786 170.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.7 mt -59.13 -39.62 82.91 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.688 176.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.23 -42.98 74.1 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 120.796 1.635 . . . . 0.0 113.179 168.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.0 t -64.15 -43.45 95.15 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.11 -0.994 . . . . 0.0 113.096 172.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.5 t -55.07 -43.84 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 O-C-N 121.279 -0.888 . . . . 0.0 110.317 171.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.405 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . 4.4 t -57.28 -52.19 66.34 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.782 1.233 . . . . 0.0 112.754 172.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 58.0 m -51.86 -46.31 64.4 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.078 0.951 . . . . 0.0 111.528 175.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.28 -41.2 80.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 O-C-N 121.413 -0.805 . . . . 0.0 112.283 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.91 -15.5 22.14 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.61 1.164 . . . . 0.0 113.737 168.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 20.3 m -101.28 -11.5 19.42 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.87 1.668 . . . . 0.0 111.771 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 N--CA 1.471 0.584 0 C-N-CA 124.972 1.309 . . . . 0.0 112.997 -176.892 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.33 3.3 p . . . . . 0 N--CA 1.513 2.723 0 CA-C-O 116.93 -1.509 . . . . 0.0 113.344 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 26.84 62.06 0.09 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 127.392 2.277 . . . . 0.0 115.931 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 146.99 37.11 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 120.966 -1.084 . . . . 0.0 109.808 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.408 ' HG1' ' H ' ' B' ' 6' ' ' GLU . 0.1 OUTLIER -63.67 157.98 62.87 Favored Pre-proline 0 N--CA 1.481 1.103 0 CA-C-O 118.667 -0.682 . . . . 0.0 109.873 171.4 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -52.9 -36.92 76.64 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.595 2.197 . . . . 0.0 114.68 172.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.408 ' H ' ' HG1' ' B' ' 4' ' ' THR . 3.7 pt-20 -75.92 -37.86 58.28 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.154 0.888 . . . . 0.0 112.05 177.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -63.2 -49.55 73.79 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 118.693 -0.67 . . . . 0.0 111.155 171.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -54.23 -49.18 70.07 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.164 1.385 . . . . 0.0 111.072 174.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.6 t -54.2 -46.98 72.56 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.827 0.74 . . . . 0.0 111.194 175.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.54 74.43 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.414 HG21 ' CE2' ' B' ' 130' ' ' TYR . 2.9 p -63.93 -52.9 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 CA-C-N 120.13 1.332 . . . . 0.0 111.716 176.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -73.84 -31.0 62.99 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.138 -0.976 . . . . 0.0 112.891 -171.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.86 -37.16 81.47 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 120.511 1.505 . . . . 0.0 112.073 172.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -40.54 95.45 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.596 0.634 . . . . 0.0 110.776 168.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -54.46 -45.83 73.21 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.142 0.883 . . . . 0.0 111.323 171.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.6 -25.97 56.36 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 125.721 1.629 . . . . 0.0 115.578 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -102.05 -12.75 17.89 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.786 1.293 . . . . 0.0 113.581 172.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.468 HG23 HG13 ' B' ' 23' ' ' VAL . 0.4 OUTLIER -59.89 137.49 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 124.518 1.127 . . . . 0.0 111.977 -173.268 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -87.41 82.2 7.61 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.621 0.769 . . . . 0.0 108.94 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 61.5 t -53.04 -39.43 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 124.123 0.969 . . . . 0.0 113.237 -169.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.21 -6.17 50.15 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -122.17 -51.88 1.98 Allowed 'General case' 0 N--CA 1.473 0.704 0 O-C-N 120.365 -1.46 . . . . 0.0 110.769 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.468 HG13 HG23 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -60.75 -29.27 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 119.431 1.014 . . . . 0.0 112.351 170.697 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.81 -42.22 46.8 Favored Glycine 0 N--CA 1.472 1.053 0 CA-C-N 119.48 1.036 . . . . 0.0 112.303 173.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.89 -41.07 99.61 Favored Glycine 0 N--CA 1.47 0.953 0 CA-C-N 117.812 0.806 . . . . 0.0 112.499 171.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -64.21 -39.5 94.11 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 125.073 1.349 . . . . 0.0 111.823 171.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.49 -53.69 48.08 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 120.145 1.339 . . . . 0.0 110.428 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.05 -42.33 99.08 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.083 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -52.5 -62.94 5.34 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-N 119.494 1.043 . . . . 0.0 112.832 170.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 ttt-85 -47.84 -36.78 12.5 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 126.016 1.726 . . . . 0.0 113.611 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tp -69.83 -62.26 1.45 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.693 1.197 . . . . 0.0 110.396 170.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.98 -12.65 52.4 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.426 1.091 . . . . 0.0 113.749 -170.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.462 ' C ' ' H ' ' B' ' 35' ' ' TYR . 18.2 m -99.46 -3.69 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 115.872 1.805 . . . . 0.0 115.872 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.87 8.36 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 CA-C-N 122.509 2.413 . . . . 0.0 112.585 167.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . 0.462 ' H ' ' C ' ' B' ' 33' ' ' VAL . 3.8 t80 44.77 41.94 0.85 Allowed Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 126.674 1.99 . . . . 0.0 113.699 -158.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -75.87 175.29 11.49 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 121.917 1.745 . . . . 0.0 110.402 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -55.48 -22.67 21.89 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 166.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -21.86 66.06 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 119.109 -2.244 . . . . 0.0 113.504 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -56.15 -23.36 34.31 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 171.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -54.95 -22.85 16.44 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 176.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.03 5.51 46.31 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 175.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.74 -25.96 8.52 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.21 -34.63 68.74 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 173.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 77.6 p -90.19 -5.33 56.53 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.581 1.082 . . . . 0.0 112.995 172.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -106.93 -2.8 20.87 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.145 1.378 . . . . 0.0 113.597 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.32 -123.57 29.84 Favored Glycine 0 CA--C 1.535 1.332 0 CA-C-N 120.929 1.695 . . . . 0.0 113.048 175.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.55 111.87 2.23 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.614 0.766 . . . . 0.0 111.428 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 tt -146.3 -24.39 0.44 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 24.5 p -60.92 -4.08 0.92 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 -171.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 6.5 p -143.07 163.72 36.1 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 126.606 1.962 . . . . 0.0 109.775 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -57.8 -53.43 4.46 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.989 1.792 . . . . 0.0 112.372 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -63.09 -27.77 69.62 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.581 1.152 . . . . 0.0 113.108 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.17 -64.25 0.91 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.762 0.71 . . . . 0.0 111.022 169.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 p -68.04 -37.47 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -169.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.76 -26.16 63.23 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 178.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.85 -25.08 10.01 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 123.789 0.709 . . . . 0.0 114.692 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.452 ' ND2' ' H ' ' B' ' 60' ' ' VAL . 9.6 t30 -62.26 120.51 59.16 Favored Pre-proline 0 CA--C 1.555 1.16 0 C-N-CA 124.878 1.271 . . . . 0.0 114.05 -172.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.74 -45.98 32.59 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 124.442 3.428 . . . . 0.0 115.389 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -62.83 -34.95 78.39 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.98 0.912 . . . . 0.0 112.949 -175.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.452 ' H ' ' ND2' ' B' ' 57' ' ' ASN . 73.5 t -64.87 -45.1 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 C-N-CA 124.437 1.095 . . . . 0.0 110.332 171.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.54 -40.39 89.08 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 118.61 0.641 . . . . 0.0 112.253 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.2 99.39 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.396 1.078 . . . . 0.0 113.052 171.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -62.2 -37.59 85.9 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.619 -1.301 . . . . 0.0 112.38 169.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.71 -51.46 33.33 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.614 1.102 . . . . 0.0 113.016 166.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -57.64 -37.97 74.23 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 118.252 1.026 . . . . 0.0 113.225 173.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -69.82 -54.42 13.66 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.11 0.868 . . . . 0.0 113.087 176.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 4.2 m -60.75 -41.83 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 120.253 1.388 . . . . 0.0 111.85 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.401 ' HA ' ' CD2' ' B' ' 71' ' ' PHE . 3.7 tt -78.76 -33.53 46.38 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.483 -0.761 . . . . 0.0 111.646 -176.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.8 -41.27 90.75 Favored Glycine 0 CA--C 1.534 1.219 0 O-C-N 121.06 -1.025 . . . . 0.0 112.212 166.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.03 -41.22 95.47 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.208 1.004 . . . . 0.0 112.434 171.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.401 ' CD2' ' HA ' ' B' ' 68' ' ' LEU . 9.1 m-30 -58.71 -35.65 72.99 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.297 -1.502 . . . . 0.0 112.075 171.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -41.34 81.58 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.862 0.865 . . . . 0.0 113.08 172.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -57.23 -32.56 66.66 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.04 0.836 . . . . 0.0 111.702 170.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.16 -66.0 3.01 Favored Glycine 0 C--N 1.339 0.695 0 C-N-CA 123.746 0.688 . . . . 0.0 111.428 166.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.32 -32.82 39.74 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -178.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.89 -26.73 59.86 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.769 1.627 . . . . 0.0 115.155 176.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -144.67 45.91 1.38 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.324 1.45 . . . . 0.0 112.31 -169.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 93.9 mt -58.78 -23.37 60.07 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -178.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -63.45 -21.31 66.23 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.382 1.073 . . . . 0.0 113.659 173.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -92.63 -68.03 0.82 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.526 0.73 . . . . 0.0 111.914 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 48.94 -17.02 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 118.455 2.761 . . . . 0.0 118.455 -168.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -97.35 -66.1 0.92 Allowed 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.602 1.546 . . . . 0.0 110.036 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.81 -32.39 69.9 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.031 0.824 . . . . 0.0 114.992 -176.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -26.42 65.27 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.37 1.468 . . . . 0.0 113.98 174.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -116.09 -11.46 11.39 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -173.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.57 -40.67 52.83 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.827 1.418 . . . . 0.0 114.827 -172.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 19.9 p -66.78 -34.11 77.11 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.276 1.031 . . . . 0.0 112.949 173.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 41.4 mt -74.69 -38.43 62.37 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.245 1.018 . . . . 0.0 111.691 172.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.0 m -64.73 -37.37 87.37 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.981 1.264 . . . . 0.0 111.624 173.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.58 -55.65 28.53 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.932 1.293 . . . . 0.0 111.56 167.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 27.1 tp -52.91 -58.6 6.41 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.306 1.042 . . . . 0.0 111.36 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -78.25 41.04 0.37 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.254 1.422 . . . . 0.0 112.355 176.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 8.4 t -155.13 -74.61 0.11 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.503 1.121 . . . . 0.0 109.957 165.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -26.76 68.59 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.361 1.465 . . . . 0.0 114.158 -178.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.63 -35.43 9.12 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.997 0.919 . . . . 0.0 111.762 173.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mt -135.61 86.04 2.21 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.67 1.988 . . . . 0.0 109.065 -174.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -53.39 -28.81 31.49 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.733 1.213 . . . . 0.0 114.207 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 6.63 101.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 129.721 3.208 . . . . 0.0 115.104 161.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -62.26 139.27 96.28 Favored Pre-proline 0 CA--C 1.548 0.892 0 O-C-N 120.625 -1.297 . . . . 0.0 113.458 -164.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . 0.418 ' HD3' ' CE2' ' B' ' 145' ' ' TYR . 31.0 Cg_endo -65.86 -15.88 50.7 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.69 2.927 . . . . 0.0 115.449 -169.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -49.15 -38.9 26.93 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.916 0.887 . . . . 0.0 112.027 163.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.05 -37.12 86.28 Favored 'General case' 0 CA--C 1.55 0.973 0 O-C-N 121.338 -0.851 . . . . 0.0 111.026 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -63.87 -47.68 79.73 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.636 1.107 . . . . 0.0 111.229 172.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -56.5 -50.01 73.04 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.734 0.813 . . . . 0.0 110.129 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 74.7 mt -58.83 -46.47 87.61 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.871 0.868 . . . . 0.0 112.073 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.25 -36.96 76.43 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.602 0.637 . . . . 0.0 111.835 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -65.73 -51.92 42.8 Favored Glycine 0 N--CA 1.469 0.851 0 O-C-N 120.871 -1.143 . . . . 0.0 114.186 171.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -53.71 -27.66 29.37 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.733 0.813 . . . . 0.0 112.585 173.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 8.5 t -81.0 -47.61 20.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 124.524 1.13 . . . . 0.0 113.453 174.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 11.5 tp -48.61 -54.21 15.51 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.406 1.003 . . . . 0.0 110.217 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.626 HG11 ' HB3' ' B' ' 130' ' ' TYR . 5.6 m -58.36 -25.56 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -175.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . 0.405 ' HA ' HG21 ' A' ' 107' ' ' VAL . 78.8 m -77.7 -39.83 43.34 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.399 -0.813 . . . . 0.0 112.533 175.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 16.7 m -74.24 -28.99 23.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-N 119.617 1.098 . . . . 0.0 112.832 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.43 ' CD2' ' CZ ' ' B' ' 130' ' ' TYR . 8.4 mp -64.29 -46.03 85.43 Favored 'General case' 0 N--CA 1.463 0.181 0 O-C-N 121.322 -0.861 . . . . 0.0 110.645 170.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.17 72.92 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 171.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -60.21 -52.77 63.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.013 1.278 . . . . 0.0 111.445 171.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -69.52 -23.85 63.65 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -176.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -131.35 49.21 2.34 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.938 1.695 . . . . 0.0 110.908 -174.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.14 -21.65 66.22 Favored Glycine 0 N--CA 1.468 0.831 0 N-CA-C 115.754 1.062 . . . . 0.0 115.754 -169.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -81.36 -2.03 47.7 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.37 1.085 . . . . 0.0 112.434 173.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.52 3.76 3.91 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.567 1.947 . . . . 0.0 113.45 -173.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.32 30.14 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 129.489 3.116 . . . . 0.0 118.112 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.542 ' HG1' ' H ' ' B' ' 126' ' ' VAL . 7.4 p -51.08 153.05 3.42 Favored Pre-proline 0 N--CA 1.482 1.146 0 C-N-CA 124.259 1.024 . . . . 0.0 113.52 -166.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -45.87 -49.09 11.51 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.603 2.202 . . . . 0.0 114.134 172.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.91 -26.23 22.4 Favored 'Trans proline' 0 C--N 1.354 0.854 0 CA-C-O 116.74 -1.442 . . . . 0.0 114.37 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . 0.542 ' H ' ' HG1' ' B' ' 123' ' ' THR . 9.4 t -58.8 -52.99 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 CA-C-N 122.837 2.562 . . . . 0.0 111.458 173.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . 0.425 ' HG3' HG22 ' A' ' 107' ' ' VAL . 1.1 tm0? -62.45 -47.0 85.96 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.411 0.285 . . . . 0.0 110.533 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.01 -38.12 89.92 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.68 -50.29 65.45 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 124.113 0.965 . . . . 0.0 110.269 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.626 ' HB3' HG11 ' B' ' 111' ' ' VAL . 6.5 m-85 -51.89 -46.24 64.46 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.872 -0.517 . . . . 0.0 111.686 167.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -63.49 -35.36 80.2 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 117.776 -1.107 . . . . 0.0 113.881 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -67.39 -40.02 85.65 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 121.715 2.052 . . . . 0.0 113.124 173.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.8 -43.52 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 120.243 1.383 . . . . 0.0 111.754 171.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 25.6 t -73.42 -29.66 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 119.272 0.942 . . . . 0.0 113.097 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.46 -45.42 90.94 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 120.555 1.525 . . . . 0.0 111.674 169.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -55.21 -45.25 83.25 Favored Glycine 0 N--CA 1.473 1.148 0 N-CA-C 111.976 -0.45 . . . . 0.0 111.976 169.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -44.33 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.203 1.001 . . . . 0.0 113.309 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.26 -44.57 96.23 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.474 -0.766 . . . . 0.0 110.551 177.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -63.92 -35.65 81.38 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.388 0.675 . . . . 0.0 112.349 174.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.64 -47.29 73.04 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.827 0.851 . . . . 0.0 111.842 175.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 13.7 mt -61.53 -37.75 84.91 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.221 0.919 . . . . 0.0 111.1 173.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.4 -6.74 20.46 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 171.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -59.6 -36.12 75.65 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 119.515 -1.991 . . . . 0.0 113.444 -176.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -67.7 -4.27 11.68 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 174.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 145' ' ' TYR . . . . . 0.418 ' CE2' ' HD3' ' B' ' 100' ' ' PRO . 2.2 m-85 . . . . . 0 CA--C 1.554 1.11 0 C-N-CA 126.173 1.789 . . . . 0.0 111.8 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.507 2.414 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . 0.417 HD12 HG22 ' C' ' 73' ' ' VAL . 5.0 mp -140.6 -171.09 3.15 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 119.963 -1.711 . . . . 0.0 110.809 172.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 7.7 p -112.78 141.58 25.68 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 126.059 1.744 . . . . 0.0 111.986 -176.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -52.51 -48.59 21.12 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 124.126 3.217 . . . . 0.0 116.084 -169.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.19 93.82 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 122.108 -0.37 . . . . 0.0 111.431 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.52 -40.07 96.08 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.83 0.452 . . . . 0.0 111.393 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -55.54 -50.21 70.61 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 118.808 0.731 . . . . 0.0 111.054 170.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 56.1 m -59.2 -44.59 92.23 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.825 0.85 . . . . 0.0 111.831 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -62.34 -41.73 98.82 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.634 -0.666 . . . . 0.0 111.918 176.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.31 -49.08 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.836 1.254 . . . . 0.0 111.452 173.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -58.45 -46.57 86.28 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 118.864 0.756 . . . . 0.0 111.547 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.95 -52.42 65.57 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.386 0.675 . . . . 0.0 111.564 177.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.95 -51.88 67.4 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.351 0.66 . . . . 0.0 111.986 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -63.95 -28.14 69.62 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.72 -42.75 99.64 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.584 1.088 . . . . 0.0 113.413 169.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -70.15 -35.04 73.76 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 118.617 1.209 . . . . 0.0 111.303 174.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.47 -50.59 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.251 1.02 . . . . 0.0 111.514 175.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.62 -139.08 9.88 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.099 0.857 . . . . 0.0 114.296 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.06 -22.55 50.75 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -69.88 -6.55 33.46 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 174.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.57 -47.36 28.41 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.564 1.075 . . . . 0.0 113.282 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.28 -37.93 95.64 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 121.909 -0.494 . . . . 0.0 113.503 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -63.53 -46.47 85.85 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.154 0.982 . . . . 0.0 110.81 174.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -68.31 -37.07 80.23 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.22 -51.48 58.59 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-N 118.723 0.692 . . . . 0.0 112.067 170.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.94 -50.42 68.91 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.53 0.732 . . . . 0.0 111.652 175.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -67.62 -35.8 79.61 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.24 83.68 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.122 0.874 . . . . 0.0 112.701 172.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 54.0 mt -64.1 -51.51 63.68 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.555 0.616 . . . . 0.0 111.63 173.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -57.24 -46.14 83.27 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 121.288 -0.882 . . . . 0.0 112.18 177.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.3 ttm105 -58.83 -47.39 84.99 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 124.97 1.308 . . . . 0.0 111.561 174.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 61.7 ttp -53.43 -46.46 69.81 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.601 1.091 . . . . 0.0 112.898 173.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -61.24 -17.75 54.91 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 174.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 34.4 mt -100.12 -46.5 5.3 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.341 1.057 . . . . 0.0 110.474 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 74.4 m -68.16 -29.29 68.13 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 126.956 2.102 . . . . 0.0 114.527 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -135.14 75.92 58.89 Favored Pre-proline 0 CA--C 1.541 0.635 0 C-N-CA 125.934 1.694 . . . . 0.0 109.844 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -46.57 -25.59 3.61 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 124.686 3.591 . . . . 0.0 115.467 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 3.9 m -46.15 -38.83 8.71 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.798 1.639 . . . . 0.0 114.537 170.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 81.8 p -65.02 -31.49 72.75 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 119.847 -1.783 . . . . 0.0 112.359 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -58.71 -34.39 71.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.03 1.332 . . . . 0.0 112.212 173.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.17 -18.92 65.65 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -9.52 42.36 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 121.196 -0.94 . . . . 0.0 113.282 175.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 46.69 64.32 8.53 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 124.892 1.277 . . . . 0.0 112.368 -168.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -47.79 145.1 10.24 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 123.924 3.083 . . . . 0.0 114.831 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.48 4.37 4.91 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -175.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.91 -175.93 3.94 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.789 1.636 . . . . 0.0 113.458 -167.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -122.71 142.94 50.15 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.733 1.213 . . . . 0.0 111.145 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -145.61 31.27 1.08 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.887 1.275 . . . . 0.0 113.091 -165.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 2.6 t -73.88 38.45 0.1 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.61 1.964 . . . . 0.0 114.192 -176.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 11.2 m170 63.09 147.3 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 129.085 2.954 . . . . 0.0 114.366 -170.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.62 17.67 49.52 Favored Glycine 0 CA--C 1.542 1.77 0 C-N-CA 124.593 1.092 . . . . 0.0 115.572 -176.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -62.15 133.01 54.66 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.8 1.24 . . . . 0.0 113.623 -171.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.23 67.98 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.159 1.384 . . . . 0.0 113.147 171.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -83.3 -40.73 19.14 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.383 0.673 . . . . 0.0 111.446 177.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.79 -41.64 88.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 O-C-N 121.471 -0.768 . . . . 0.0 111.995 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -61.98 -39.06 90.87 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 119.756 1.162 . . . . 0.0 112.684 175.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.62 -53.38 28.39 Favored Glycine 0 N--CA 1.469 0.878 0 C-N-CA 124.06 0.838 . . . . 0.0 112.018 176.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -56.28 -44.56 79.91 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.905 -0.762 . . . . 0.0 111.699 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.54 -48.79 63.59 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.422 1.01 . . . . 0.0 113.932 172.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -56.16 -42.84 77.67 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 118.597 1.199 . . . . 0.0 112.903 171.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.65 -41.88 68.22 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.1 0.864 . . . . 0.0 111.086 -178.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 63.6 t -55.75 -48.73 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.594 1.158 . . . . 0.0 110.422 169.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.33 -47.29 86.6 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -63.81 -38.95 92.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.045 0.839 . . . . 0.0 112.298 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.36 -36.97 81.7 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.271 -0.893 . . . . 0.0 112.609 169.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -42.79 94.23 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.324 -0.86 . . . . 0.0 111.622 170.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 90.9 m -57.47 -44.38 84.79 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.917 1.235 . . . . 0.0 111.886 171.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -58.59 -47.5 84.11 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.108 0.867 . . . . 0.0 110.996 171.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.19 -32.21 70.87 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 174.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 77.1 t -71.74 -49.02 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 120.19 1.359 . . . . 0.0 110.628 171.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.21 -28.02 67.65 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.364 1.466 . . . . 0.0 113.561 -177.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -124.02 28.06 6.95 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.449 1.5 . . . . 0.0 112.053 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . 0.417 HG22 HD12 ' C' ' 2' ' ' LEU . 14.4 p -50.26 -37.44 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -171.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -103.25 9.55 38.08 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -142.16 33.9 1.53 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.97 2.108 . . . . 0.0 111.068 -171.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -116.55 55.76 1.41 Allowed Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 125.545 1.538 . . . . 0.0 113.204 -177.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -64.93 -37.42 34.13 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 122.009 1.806 . . . . 0.0 112.34 178.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -142.72 19.28 2.0 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.496 1.518 . . . . 0.0 113.13 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.89 -10.23 36.57 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 120.097 -1.627 . . . . 0.0 114.595 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 30.8 mt -113.38 17.56 18.39 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.088 1.755 . . . . 0.0 111.498 171.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 41.1 t -56.67 -38.96 72.92 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.71 1.204 . . . . 0.0 112.749 -176.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.22 -28.62 59.06 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 173.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 10.6 mt -84.06 -42.02 16.56 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.069 0.948 . . . . 0.0 111.288 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 33.6 t -54.94 -42.48 72.36 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.572 0.349 . . . . 0.0 110.945 166.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -63.08 -45.79 90.45 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.067 1.347 . . . . 0.0 112.355 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -44.84 70.51 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.901 0.773 . . . . 0.0 111.405 173.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -67.55 -63.27 1.09 Allowed 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.609 -0.682 . . . . 0.0 110.909 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.08 -30.86 71.93 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -169.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -103.17 2.3 34.32 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.153 0.981 . . . . 0.0 113.049 -171.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -149.74 -32.61 0.2 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -174.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 97.2 mt -125.01 -117.71 0.28 Allowed 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 116.401 -1.761 . . . . 0.0 107.782 168.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . 0.25 0.0 OUTLIER 155.55 47.82 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.313 0 C-N-CA 130.523 3.529 . . . . 0.0 113.175 164.037 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 23.6 t -68.42 140.11 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 O-C-N 120.657 -1.277 . . . . 0.0 112.722 -169.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.7 142.98 51.67 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 126.416 1.887 . . . . 0.0 113.619 175.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -59.48 -22.32 65.74 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 123.026 2.484 . . . . 0.0 113.232 165.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 37.7 t -52.34 -46.47 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 120.675 -1.266 . . . . 0.0 110.722 167.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -61.1 -41.07 95.99 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.847 0.749 . . . . 0.0 112.238 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 3.4 t80 -53.91 -46.84 71.56 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.492 -0.755 . . . . 0.0 111.275 172.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -56.53 -34.83 67.41 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 118.828 0.74 . . . . 0.0 111.944 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.79 -52.24 61.15 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.094 0.958 . . . . 0.0 110.868 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -40.89 91.49 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.292 1.037 . . . . 0.0 112.148 174.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 11.0 t -54.57 -52.34 62.4 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.766 1.226 . . . . 0.0 112.129 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -58.32 -42.43 86.75 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 120.997 -1.064 . . . . 0.0 111.237 173.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 92.0 m -69.29 -10.56 58.39 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 174.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 14.4 mt -91.42 -47.43 7.45 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.156 1.782 . . . . 0.0 111.852 168.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 53.8 mt -51.22 -46.99 62.43 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.645 1.178 . . . . 0.0 111.107 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . 0.434 HG22 ' HG3' ' D' ' 127' ' ' GLN . 7.2 p -52.44 -45.04 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 170.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -64.13 -43.17 96.09 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.295 0.638 . . . . 0.0 110.893 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.26 -46.0 88.87 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.46 -31.95 64.48 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.54 -17.3 61.74 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.594 1.701 . . . . 0.0 115.594 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -118.96 -30.42 5.03 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -174.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.6 mp -78.38 175.85 4.24 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 124.582 1.153 . . . . 0.0 110.939 172.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.56 -154.53 0.0 OUTLIER 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 124.722 3.615 . . . . 0.0 113.221 156.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.24 57.84 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.747 1.619 . . . . 0.0 114.502 174.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -42.46 -27.67 0.17 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.88 2.472 . . . . 0.0 114.105 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -69.85 7.14 0.97 Allowed 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.07 160.45 3.13 Favored Pre-proline 0 N--CA 1.489 1.499 0 CA-C-N 121.387 1.903 . . . . 0.0 112.512 175.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -54.28 -50.27 14.09 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.069 1.846 . . . . 0.0 112.627 169.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.54 -54.55 41.62 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.623 0.369 . . . . 0.0 110.616 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.26 -40.4 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 O-C-N 121.056 -1.027 . . . . 0.0 111.932 -172.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -74.95 -47.28 30.31 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 120.202 1.364 . . . . 0.0 112.761 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.76 -47.33 85.06 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 120.081 1.309 . . . . 0.0 110.604 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 99.7 p -60.73 -48.12 83.2 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 117.406 -1.283 . . . . 0.0 113.456 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 78.3 mt -67.38 -43.93 80.18 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 120.642 1.564 . . . . 0.0 111.778 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -59.54 -51.19 70.93 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.59 1.086 . . . . 0.0 112.058 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -29.46 64.77 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -63.23 -53.52 51.82 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 117.595 -1.193 . . . . 0.0 110.668 170.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.89 -40.1 83.43 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.467 1.031 . . . . 0.0 110.782 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.05 -42.91 73.31 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 120.137 -1.602 . . . . 0.0 113.143 169.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 17.3 t -64.24 -43.11 95.93 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 120.908 -1.12 . . . . 0.0 113.116 172.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 50.6 t -55.68 -43.55 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.289 -0.882 . . . . 0.0 110.158 171.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 4.4 t -57.28 -52.33 65.75 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.711 1.204 . . . . 0.0 112.746 172.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 59.4 m -51.83 -46.19 64.25 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.883 0.873 . . . . 0.0 111.562 175.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 61.5 t -69.41 -41.2 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 O-C-N 121.526 -0.734 . . . . 0.0 112.081 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -15.34 21.83 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.447 1.099 . . . . 0.0 113.757 168.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 20.4 m -101.44 -11.54 19.27 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.737 1.615 . . . . 0.0 111.734 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 N--CA 1.473 0.693 0 C-N-CA 124.854 1.262 . . . . 0.0 113.2 -177.095 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.335 3.4 p . . . . . 0 N--CA 1.515 2.808 0 CA-C-O 117.032 -1.461 . . . . 0.0 113.287 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 34.5 p-80 26.93 62.12 0.09 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 127.566 2.347 . . . . 0.0 115.811 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.19 147.04 36.83 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 120.919 -1.113 . . . . 0.0 109.751 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.61 157.98 62.46 Favored Pre-proline 0 N--CA 1.481 1.122 0 CA-C-O 118.679 -0.677 . . . . 0.0 109.949 171.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -52.85 -36.95 76.27 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.488 2.125 . . . . 0.0 114.788 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -75.97 -37.89 58.09 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.118 0.872 . . . . 0.0 112.012 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -63.15 -49.37 74.63 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.614 -0.679 . . . . 0.0 111.187 171.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -54.44 -49.27 70.4 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.183 1.393 . . . . 0.0 110.973 174.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 28.7 t -54.01 -47.16 71.78 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.855 0.752 . . . . 0.0 111.182 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.69 74.29 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 11' ' ' VAL . . . . . 0.413 HG21 ' CE2' ' D' ' 130' ' ' TYR . 3.0 p -64.1 -52.86 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.275 0 CA-C-N 120.191 1.359 . . . . 0.0 111.625 176.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -73.98 -31.2 62.88 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.133 -0.979 . . . . 0.0 112.996 -171.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.64 -37.06 81.9 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 120.524 1.511 . . . . 0.0 112.019 172.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -40.07 94.05 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.625 -0.672 . . . . 0.0 110.824 169.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -54.53 -45.86 73.46 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.019 0.827 . . . . 0.0 111.522 170.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.21 -26.88 56.93 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.825 1.679 . . . . 0.0 115.461 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -101.53 -13.09 18.03 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.781 1.291 . . . . 0.0 113.524 172.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.446 HG22 HG12 ' D' ' 23' ' ' VAL . 0.4 OUTLIER -59.48 137.52 21.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.611 1.164 . . . . 0.0 112.07 -173.502 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -87.43 82.19 7.6 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.75 0.82 . . . . 0.0 108.83 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 62.0 t -53.01 -39.41 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 C-N-CA 124.114 0.966 . . . . 0.0 113.366 -170.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.28 -6.07 49.83 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -122.29 -51.74 1.97 Allowed 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.326 -1.484 . . . . 0.0 110.842 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . 0.446 HG12 HG22 ' D' ' 18' ' ' VAL . 0.3 OUTLIER -60.53 -29.49 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 119.438 1.017 . . . . 0.0 112.506 170.339 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.79 -42.36 46.43 Favored Glycine 0 N--CA 1.472 1.056 0 O-C-N 121.004 -1.06 . . . . 0.0 112.055 173.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.83 -41.17 99.6 Favored Glycine 0 N--CA 1.472 1.045 0 CA-C-N 117.959 0.879 . . . . 0.0 112.51 171.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -64.11 -39.63 94.47 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.978 1.311 . . . . 0.0 111.854 171.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.25 -53.98 44.56 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 120.191 1.36 . . . . 0.0 110.469 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 mp -61.8 -42.4 98.96 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.107 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -52.6 -63.07 5.25 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 119.585 1.084 . . . . 0.0 112.517 171.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 16.7 ttt-85 -47.94 -36.57 12.66 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.987 1.715 . . . . 0.0 113.515 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 tp -69.75 -62.24 1.46 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.651 1.18 . . . . 0.0 110.453 169.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mt -65.1 -12.99 56.82 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.532 1.133 . . . . 0.0 113.599 -170.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' VAL . . . . . 0.458 ' C ' ' H ' ' D' ' 35' ' ' TYR . 17.7 m -98.62 -4.14 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 176.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.86 8.33 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 CA-C-N 122.589 2.45 . . . . 0.0 112.601 168.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' TYR . . . . . 0.458 ' H ' ' C ' ' D' ' 33' ' ' VAL . 3.7 t80 44.65 41.99 0.85 Allowed Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 126.614 1.966 . . . . 0.0 113.727 -158.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -75.8 175.26 11.53 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.84 1.694 . . . . 0.0 110.501 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -55.65 -22.48 23.09 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 166.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -21.8 66.13 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 119.413 -2.054 . . . . 0.0 113.511 178.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -56.3 -23.27 35.73 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 171.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -55.03 -23.03 17.71 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 115.405 1.632 . . . . 0.0 115.405 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.74 5.64 45.09 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 175.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.81 -26.06 9.01 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.081 -1.637 . . . . 0.0 115.329 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.19 -34.5 68.55 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 173.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 78.2 p -90.26 -5.27 56.52 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.707 1.139 . . . . 0.0 112.996 172.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -107.12 -2.58 20.81 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.924 1.29 . . . . 0.0 113.526 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.34 -123.7 30.09 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-N 121.049 1.749 . . . . 0.0 113.045 175.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.51 111.99 2.28 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.537 0.735 . . . . 0.0 111.351 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 tt -146.33 -24.56 0.43 Allowed 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 24.7 p -60.65 -4.29 0.9 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 116.612 2.078 . . . . 0.0 116.612 -171.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 6.5 p -143.02 163.67 36.48 Favored Pre-proline 0 N--CA 1.475 0.792 0 C-N-CA 126.646 1.978 . . . . 0.0 109.766 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -57.86 -53.42 4.44 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 122.032 1.822 . . . . 0.0 112.267 175.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -62.95 -27.91 69.72 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.648 1.179 . . . . 0.0 113.187 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.09 -64.4 0.87 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.635 0.652 . . . . 0.0 111.053 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 p -67.88 -37.49 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -169.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.89 -26.06 63.07 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.85 -25.02 10.05 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 123.726 0.679 . . . . 0.0 114.789 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 57' ' ' ASN . . . . . 0.439 ' ND2' ' H ' ' D' ' 60' ' ' VAL . 9.5 t30 -62.16 120.52 58.87 Favored Pre-proline 0 CA--C 1.555 1.153 0 C-N-CA 124.888 1.275 . . . . 0.0 114.057 -172.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -50.7 -45.87 33.04 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 124.389 3.392 . . . . 0.0 115.531 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -62.99 -34.84 78.38 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.023 0.929 . . . . 0.0 112.899 -175.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 60' ' ' VAL . . . . . 0.439 ' H ' ' ND2' ' D' ' 57' ' ' ASN . 74.4 t -65.04 -45.04 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 124.422 1.089 . . . . 0.0 110.282 171.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -40.55 89.21 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 118.463 0.574 . . . . 0.0 112.292 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.29 99.17 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.43 1.092 . . . . 0.0 113.11 171.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -62.41 -37.56 86.27 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.661 -1.274 . . . . 0.0 112.278 169.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.7 -51.38 33.57 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.476 1.036 . . . . 0.0 113.059 166.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -57.52 -38.19 74.26 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 118.174 0.987 . . . . 0.0 113.246 173.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -69.8 -54.45 13.58 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 118.049 -0.977 . . . . 0.0 112.995 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 m -60.51 -41.92 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 120.416 1.462 . . . . 0.0 112.119 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . 0.414 ' HA ' ' CD2' ' D' ' 71' ' ' PHE . 3.8 tt -78.77 -33.59 46.28 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.248 -0.908 . . . . 0.0 111.461 -176.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.59 -41.33 89.17 Favored Glycine 0 CA--C 1.535 1.293 0 O-C-N 121.362 -0.836 . . . . 0.0 112.34 166.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.21 95.72 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 117.877 0.838 . . . . 0.0 112.543 170.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . 0.414 ' CD2' ' HA ' ' D' ' 68' ' ' LEU . 9.0 m-30 -58.82 -35.44 72.89 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 120.41 -1.432 . . . . 0.0 112.111 171.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -41.29 81.23 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.85 0.86 . . . . 0.0 113.065 172.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -57.24 -32.61 66.73 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.968 0.804 . . . . 0.0 111.641 170.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.11 -65.93 3.06 Favored Glycine 0 C--N 1.339 0.739 0 C-N-CA 123.643 0.64 . . . . 0.0 111.622 166.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.1 mt -52.5 -32.68 41.35 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.91 -26.66 59.8 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.735 1.614 . . . . 0.0 115.103 176.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -144.67 45.84 1.38 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.326 1.45 . . . . 0.0 112.351 -169.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 93.8 mt -58.78 -23.48 60.25 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -63.37 -21.27 66.18 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.344 1.058 . . . . 0.0 113.704 173.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -92.67 -68.04 0.82 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.47 0.708 . . . . 0.0 111.939 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 49.01 -17.07 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 118.488 2.773 . . . . 0.0 118.488 -168.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -97.43 -65.91 0.93 Allowed 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 120.587 1.54 . . . . 0.0 110.091 172.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.89 -32.48 70.43 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.001 0.81 . . . . 0.0 114.896 -176.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.67 -26.58 65.38 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.312 1.445 . . . . 0.0 114.077 174.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -115.78 -11.68 11.57 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -173.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.36 -40.73 50.15 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -171.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 20.3 p -66.72 -33.99 76.87 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.35 1.06 . . . . 0.0 113.014 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 41.3 mt -74.84 -38.54 61.97 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 124.157 0.983 . . . . 0.0 111.737 172.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 2.8 m -64.54 -37.53 87.89 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.852 1.206 . . . . 0.0 111.708 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -55.75 28.4 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.92 1.288 . . . . 0.0 111.535 167.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 26.9 tp -52.94 -58.68 6.12 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.256 1.023 . . . . 0.0 111.301 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -78.05 40.91 0.35 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.195 1.398 . . . . 0.0 112.541 176.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 8.4 t -155.08 -74.71 0.11 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.489 1.116 . . . . 0.0 109.888 165.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -26.87 68.57 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.432 1.493 . . . . 0.0 114.101 -177.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.81 -35.27 9.1 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.885 0.874 . . . . 0.0 111.666 173.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mt -135.73 85.95 2.2 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.803 2.041 . . . . 0.0 109.107 -174.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -53.41 -28.79 31.7 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 6.61 101.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 129.69 3.196 . . . . 0.0 115.229 161.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.15 139.25 96.09 Favored Pre-proline 0 CA--C 1.55 0.958 0 O-C-N 120.561 -1.337 . . . . 0.0 113.636 -164.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 100' ' ' PRO . . . . . 0.415 ' HD3' ' CE2' ' D' ' 145' ' ' TYR . 31.1 Cg_endo -65.76 -16.01 51.49 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.586 2.858 . . . . 0.0 115.359 -168.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -49.39 -38.57 29.27 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.166 -0.959 . . . . 0.0 111.924 163.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.29 -36.99 85.9 Favored 'General case' 0 CA--C 1.553 1.07 0 O-C-N 121.298 -0.876 . . . . 0.0 110.88 177.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -64.0 -47.76 79.05 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.624 1.102 . . . . 0.0 111.301 172.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -56.53 -50.31 72.23 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.707 0.803 . . . . 0.0 110.443 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 74.7 mt -57.79 -47.0 83.8 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.16 0.984 . . . . 0.0 112.337 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.16 -36.79 75.91 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.722 0.692 . . . . 0.0 111.82 176.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.02 -51.85 41.89 Favored Glycine 0 N--CA 1.469 0.838 0 O-C-N 121.136 -0.977 . . . . 0.0 114.159 171.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -53.26 -27.94 25.12 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.867 0.867 . . . . 0.0 112.767 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 7.7 t -81.12 -47.76 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 124.524 1.13 . . . . 0.0 113.377 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 12.1 tp -48.39 -53.51 17.38 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.528 1.058 . . . . 0.0 110.434 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 111' ' ' VAL . . . . . 0.62 HG11 ' HB3' ' D' ' 130' ' ' TYR . 5.2 m -59.19 -25.3 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -174.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 112' ' ' CYS . . . . . 0.409 ' HA ' HG21 ' C' ' 107' ' ' VAL . 79.5 m -77.63 -40.15 42.84 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.405 -0.809 . . . . 0.0 112.796 174.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 17.0 m -73.85 -28.93 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 119.698 1.135 . . . . 0.0 113.039 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 114' ' ' LEU . . . . . 0.437 ' CD2' ' CZ ' ' D' ' 130' ' ' TYR . 8.4 mp -64.27 -46.23 84.58 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 119.142 0.883 . . . . 0.0 110.398 170.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.06 -34.27 73.2 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.248 0.832 . . . . 0.0 113.248 172.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -60.12 -53.07 62.15 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.912 1.233 . . . . 0.0 111.425 171.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -69.2 -23.67 63.94 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -176.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -131.4 49.21 2.34 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.095 1.758 . . . . 0.0 110.997 -174.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.2 -21.65 66.36 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 115.761 1.064 . . . . 0.0 115.761 -169.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -81.48 -1.85 47.51 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.314 1.057 . . . . 0.0 112.378 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.45 3.71 3.92 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.612 1.965 . . . . 0.0 113.491 -173.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.21 30.1 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 129.389 3.076 . . . . 0.0 118.299 -178.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 123' ' ' THR . . . . . 0.554 ' HG1' ' H ' ' D' ' 126' ' ' VAL . 7.5 p -51.04 153.11 3.32 Favored Pre-proline 0 N--CA 1.479 0.989 0 C-N-CA 124.398 1.079 . . . . 0.0 113.446 -166.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -46.08 -48.99 11.96 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 122.647 2.231 . . . . 0.0 114.1 172.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.95 -26.17 22.29 Favored 'Trans proline' 0 C--N 1.356 0.93 0 CA-C-O 116.757 -1.435 . . . . 0.0 114.465 174.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 126' ' ' VAL . . . . . 0.554 ' H ' ' HG1' ' D' ' 123' ' ' THR . 9.9 t -58.91 -52.95 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 CA-C-N 122.822 2.555 . . . . 0.0 111.442 172.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 127' ' ' GLN . . . . . 0.434 ' HG3' HG22 ' C' ' 107' ' ' VAL . 1.1 tm0? -62.35 -47.05 85.91 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.481 0.312 . . . . 0.0 110.534 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.24 -37.88 89.07 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.83 -50.16 65.62 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.236 1.014 . . . . 0.0 110.323 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 130' ' ' TYR . . . . . 0.62 ' HB3' HG11 ' D' ' 111' ' ' VAL . 6.4 m-85 -51.96 -46.2 64.7 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.236 0.471 . . . . 0.0 111.763 167.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -63.51 -35.62 81.05 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 117.748 -1.12 . . . . 0.0 113.817 177.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -67.22 -40.23 86.36 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 121.701 2.046 . . . . 0.0 113.165 173.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 4.5 p -67.38 -43.93 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 CA-C-N 120.281 1.401 . . . . 0.0 111.745 171.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 26.2 t -73.41 -29.82 28.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 119.29 0.95 . . . . 0.0 112.946 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.3 -45.53 90.92 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 120.746 1.612 . . . . 0.0 111.687 169.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -54.96 -45.33 81.49 Favored Glycine 0 N--CA 1.473 1.109 0 O-C-N 121.979 -0.451 . . . . 0.0 112.202 168.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.59 -44.28 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.276 1.03 . . . . 0.0 113.284 176.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.24 -44.48 96.46 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.327 -0.858 . . . . 0.0 110.554 177.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -64.18 -35.78 81.9 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.407 0.683 . . . . 0.0 112.255 174.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.65 -47.45 72.47 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.678 0.791 . . . . 0.0 112.171 175.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.73 -38.23 84.4 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.581 1.082 . . . . 0.0 111.12 172.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.72 -6.34 20.43 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 172.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -59.49 -36.2 75.58 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 119.518 -1.989 . . . . 0.0 113.491 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -67.68 -4.18 11.35 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 174.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 145' ' ' TYR . . . . . 0.415 ' CE2' ' HD3' ' D' ' 100' ' ' PRO . 2.2 m-85 -95.61 11.03 34.64 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.334 1.854 . . . . 0.0 111.798 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.257 1.492 0 C-N-CA 127.924 2.49 . . . . 0.0 115.269 174.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.511 2.607 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -137.72 -177.19 4.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 119.522 -1.986 . . . . 0.0 113.03 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.04 -163.33 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.197 0 C-N-CA 126.267 1.827 . . . . 0.0 112.02 176.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -102.82 -38.79 0.02 OUTLIER 'Trans proline' 0 CA--C 1.546 1.116 0 C-N-CA 123.088 2.525 . . . . 0.0 115.074 169.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.68 -32.17 71.79 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 120.613 -1.305 . . . . 0.0 112.774 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -59.27 -48.64 80.86 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 125.006 1.322 . . . . 0.0 112.698 166.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -55.57 -49.08 73.67 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.035 0.834 . . . . 0.0 109.969 174.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.6 m -55.56 -50.23 70.6 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.648 0.779 . . . . 0.0 112.327 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.408 ' HB2' ' HG ' ' A' ' 124' ' ' SER . 94.2 m-20 -61.39 -39.77 91.91 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 118.592 0.633 . . . . 0.0 112.258 176.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.5 t -65.18 -44.19 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 123.954 0.901 . . . . 0.0 111.439 175.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -61.66 -46.16 90.93 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.551 1.068 . . . . 0.0 111.27 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.71 -52.8 63.93 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.392 0.677 . . . . 0.0 111.209 175.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.42 -51.53 69.04 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.523 1.129 . . . . 0.0 111.879 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -66.26 -27.46 67.96 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.329 -0.857 . . . . 0.0 113.095 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.77 -41.63 94.05 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.215 0.912 . . . . 0.0 112.986 167.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -69.43 -35.2 75.47 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 118.306 1.053 . . . . 0.0 111.847 171.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.408 HG11 ' HB2' ' A' ' 21' ' ' ALA . 86.3 t -65.69 -27.05 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 125.054 1.342 . . . . 0.0 113.765 177.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -35.87 123.06 0.69 Allowed Glycine 0 CA--C 1.541 1.715 0 C-N-CA 125.159 1.361 . . . . 0.0 114.394 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 78.85 -39.24 0.23 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 129.19 2.996 . . . . 0.0 114.539 -173.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -75.33 -17.42 60.26 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.341 1.056 . . . . 0.0 113.607 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.572 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -38.67 -54.35 1.56 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 127.144 2.177 . . . . 0.0 114.552 -178.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.36 -32.49 65.04 Favored Glycine 0 N--CA 1.467 0.705 0 O-C-N 121.641 -0.662 . . . . 0.0 114.149 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -59.27 -45.89 90.0 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.896 0.878 . . . . 0.0 109.531 170.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.519 ' HA ' HG21 ' A' ' 108' ' ' THR . 13.1 m-30 -65.99 -39.89 90.72 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.63 -47.0 93.33 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 123.308 0.48 . . . . 0.0 112.648 171.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.5 -45.73 90.85 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 117.979 0.889 . . . . 0.0 112.12 176.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -41.2 97.91 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 123.231 0.613 . . . . 0.0 112.301 174.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.21 -45.92 89.44 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.34 0.518 . . . . 0.0 112.048 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.3 mt -56.12 -54.41 45.43 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.063 0.945 . . . . 0.0 111.046 175.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -58.14 -41.0 82.78 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 122.838 0.455 . . . . 0.0 111.86 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.4 ttm105 -61.34 -35.3 77.03 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 117.222 -1.37 . . . . 0.0 113.031 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.3 mtm -61.24 -45.91 92.58 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.58 1.536 . . . . 0.0 111.56 171.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -66.43 -15.76 63.58 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -111.34 -22.76 11.17 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.845 1.258 . . . . 0.0 113.248 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 82.1 p -80.08 -36.28 35.75 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.027 1.285 . . . . 0.0 113.59 171.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -130.77 80.45 69.74 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 127.614 2.366 . . . . 0.0 109.219 -175.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.38 -17.09 3.84 Favored 'Trans proline' 0 CA--C 1.545 1.045 0 C-N-CA 123.784 2.989 . . . . 0.0 115.695 175.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.5 p -54.9 -30.26 57.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.254 1.422 . . . . 0.0 114.178 165.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.5 p -63.88 -39.31 93.88 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 120.853 1.661 . . . . 0.0 111.43 174.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -56.2 -37.7 70.0 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.724 1.61 . . . . 0.0 112.671 -176.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.19 -24.55 66.41 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 177.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -67.84 -12.44 60.63 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.229 -0.92 . . . . 0.0 112.525 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 32.5 57.54 1.33 Allowed Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 127.232 2.213 . . . . 0.0 112.892 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -77.8 64.0 8.13 Favored 'Trans proline' 0 CA--C 1.545 1.034 0 C-N-CA 124.217 3.278 . . . . 0.0 112.575 -162.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.291 3.4 p-80 49.45 20.55 0.48 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 128.737 2.815 . . . . 0.0 116.036 -168.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -111.74 149.2 32.01 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.163 1.385 . . . . 0.0 112.151 -173.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.27 -18.58 6.77 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.079 1.752 . . . . 0.0 113.402 -173.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt 51.71 38.25 22.37 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.704 1.601 . . . . 0.0 113.745 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.8 p -67.44 22.48 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 128.169 2.588 . . . . 0.0 116.898 -172.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.0 m80 73.36 114.23 0.06 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 128.646 2.778 . . . . 0.0 112.912 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.85 25.8 70.83 Favored Glycine 0 CA--C 1.539 1.552 0 O-C-N 121.512 -0.743 . . . . 0.0 113.978 -174.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.4 p -64.98 142.09 58.56 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.242 1.017 . . . . 0.0 113.412 -169.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.83 -33.27 75.31 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.546 -0.721 . . . . 0.0 112.718 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.48 -40.86 98.23 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.15 -44.42 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 119.864 1.211 . . . . 0.0 111.351 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -44.59 95.81 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.693 0.678 . . . . 0.0 112.068 174.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.22 -51.55 58.15 Favored Glycine 0 N--CA 1.471 1.012 0 C-N-CA 123.933 0.777 . . . . 0.0 112.366 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -58.63 -41.62 86.39 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.861 -0.788 . . . . 0.0 111.757 173.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.6 -49.85 44.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 121.537 -0.727 . . . . 0.0 113.222 170.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.1 -44.45 87.64 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 118.292 1.046 . . . . 0.0 112.256 173.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -59.4 -54.28 48.52 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.591 1.087 . . . . 0.0 111.941 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.2 t -53.79 -41.86 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.983 0.913 . . . . 0.0 110.943 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.572 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -65.91 -45.45 81.89 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 176.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -61.69 -35.69 78.73 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.057 1.299 . . . . 0.0 112.295 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.07 -43.72 98.23 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.435 -0.79 . . . . 0.0 112.405 169.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.97 -43.2 86.33 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.304 170.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.4 m -59.15 -45.56 90.66 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 119.866 1.212 . . . . 0.0 111.86 173.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -34.34 78.17 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.625 1.102 . . . . 0.0 111.802 177.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.64 79.88 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.461 -0.781 . . . . 0.0 111.05 169.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.8 t -56.89 -45.46 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 120.122 1.328 . . . . 0.0 111.449 174.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.6 -25.37 67.3 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -141.08 31.51 1.77 Allowed 'General case' 0 C--O 1.219 -0.533 0 C-N-CA 124.196 0.999 . . . . 0.0 112.823 -167.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.2 p -60.99 -16.38 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 119.374 -2.079 . . . . 0.0 115.956 -162.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -102.04 -0.42 33.6 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 172.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -130.61 -0.69 4.37 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 128.371 2.668 . . . . 0.0 113.322 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -60.86 -15.92 0.32 Allowed Pre-proline 0 CA--C 1.543 0.686 0 N-CA-C 117.352 2.353 . . . . 0.0 117.352 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -47.17 -30.21 10.24 Favored 'Trans proline' 0 C--N 1.358 1.035 0 CA-C-N 123.788 2.389 . . . . 0.0 115.657 163.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.8 -40.3 16.17 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.198 0.908 . . . . 0.0 113.171 170.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.53 -24.85 61.19 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -175.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 79.3 mt -97.53 2.81 50.56 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.966 1.307 . . . . 0.0 112.569 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.1 m -53.82 -41.02 66.88 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 120.172 1.351 . . . . 0.0 113.871 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.64 -15.7 31.08 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 176.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mt -109.26 -31.3 7.62 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.385 1.874 . . . . 0.0 111.082 -172.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.7 m -56.21 -42.39 77.16 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 119.155 -0.45 . . . . 0.0 110.387 153.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -61.96 -32.31 72.73 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.532 1.06 . . . . 0.0 112.902 172.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.0 -66.09 0.56 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 120.065 1.302 . . . . 0.0 108.762 162.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -61.3 -10.09 6.4 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 -173.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.52 -11.8 7.79 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.677 1.591 . . . . 0.0 114.729 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -134.69 -1.4 2.77 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 120.047 1.294 . . . . 0.0 114.429 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.84 98.77 2.22 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.886 1.274 . . . . 0.0 112.069 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.5 mt 69.78 81.25 0.17 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.442 1.497 . . . . 0.0 111.003 -175.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -63.73 -6.12 5.15 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 116.072 1.878 . . . . 0.0 116.072 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 24.3 t -1.31 114.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 129.904 3.282 . . . . 0.0 115.25 174.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -34.82 123.99 0.55 Allowed Pre-proline 0 CA--C 1.556 1.192 0 C-N-CA 125.125 1.37 . . . . 0.0 112.635 171.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -42.85 -13.12 0.04 OUTLIER 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 124.929 3.753 . . . . 0.0 117.017 168.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.5 p -42.36 -40.73 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 121.223 1.829 . . . . 0.0 112.681 161.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -73.6 -25.42 60.32 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 117.652 -1.166 . . . . 0.0 113.028 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -57.91 -52.69 64.46 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 120.063 1.301 . . . . 0.0 108.885 166.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -55.89 -38.07 69.7 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.004 0.922 . . . . 0.0 111.612 -176.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 77.2 mt -69.58 -48.0 61.68 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 119.01 -0.519 . . . . 0.0 111.405 175.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.85 -42.87 98.68 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 119.307 0.958 . . . . 0.0 112.364 176.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 82.5 p -68.03 -46.01 72.38 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 119.34 0.973 . . . . 0.0 112.298 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -64.72 -44.37 90.41 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.473 1.033 . . . . 0.0 111.835 172.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 62.6 m -62.1 -38.56 89.34 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 118.039 -0.981 . . . . 0.0 112.456 176.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.9 -54.31 47.66 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.763 1.165 . . . . 0.0 110.933 169.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 45.0 mt -50.1 -43.33 51.47 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.698 1.135 . . . . 0.0 111.652 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.77 -42.89 98.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 123.805 0.842 . . . . 0.0 112.399 175.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.519 HG21 ' HA ' ' A' ' 24' ' ' TYR . 3.1 m -63.87 -45.74 88.05 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 120.155 1.343 . . . . 0.0 112.581 171.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 17.8 mt -64.15 -48.51 75.74 Favored 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 123.033 0.533 . . . . 0.0 109.659 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -48.86 -44.45 39.71 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.869 0.868 . . . . 0.0 113.077 171.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.15 -38.5 56.66 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -116.3 -34.83 4.51 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -168.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.1 tt -72.94 125.4 91.13 Favored Pre-proline 0 CA--C 1.544 0.742 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 172.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -70.97 71.93 2.09 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.265 2.644 . . . . 0.0 111.054 171.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.28 11.63 0.22 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.889 2.076 . . . . 0.0 113.403 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 49.53 21.37 0.6 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.354 2.262 . . . . 0.0 113.811 -175.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.7 p90 36.91 27.04 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.468 2.307 . . . . 0.0 115.541 -165.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.86 155.39 91.77 Favored Pre-proline 0 N--CA 1.48 1.03 0 O-C-N 120.696 -1.252 . . . . 0.0 111.69 -173.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -64.88 -46.99 5.5 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.158 1.905 . . . . 0.0 110.951 173.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.22 98.96 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 118.897 -0.573 . . . . 0.0 112.135 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 88.0 t -65.75 -41.96 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-N 120.261 1.392 . . . . 0.0 112.348 -177.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -37.51 87.77 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.447 1.021 . . . . 0.0 112.163 173.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.47 -55.35 36.19 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 117.91 0.323 . . . . 0.0 110.578 171.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.408 ' HG ' ' HB2' ' A' ' 9' ' ' ASN . 15.7 m -56.91 -48.3 78.55 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.572 1.549 . . . . 0.0 112.693 -177.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 75.5 mt -64.62 -43.94 92.11 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.493 0.588 . . . . 0.0 111.949 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.52 -54.86 33.67 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 119.553 1.069 . . . . 0.0 111.985 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -27.84 67.94 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -66.6 -49.97 64.56 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 118.885 0.766 . . . . 0.0 111.38 169.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.92 -32.81 68.13 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.07 -1.019 . . . . 0.0 111.763 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.82 -32.82 73.63 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 171.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 93.1 p -74.1 -42.52 59.98 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 120.061 -1.649 . . . . 0.0 111.281 170.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 95.0 t -53.52 -50.42 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.036 0.934 . . . . 0.0 110.274 174.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.408 ' CB ' ' CD1' ' A' ' 98' ' ' PHE . 96.6 p -66.01 -45.19 82.45 Favored 'General case' 0 C--O 1.227 -0.108 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 177.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 23.2 m -52.35 -44.39 65.18 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.202 0.91 . . . . 0.0 110.511 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 68.1 t -66.83 -47.81 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 122.992 0.517 . . . . 0.0 112.167 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -19.8 63.16 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 177.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 98.2 m -101.68 -2.63 29.85 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.134 2.174 . . . . 0.0 112.139 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.473 0.708 0 O-C-N 120.584 -1.322 . . . . 0.0 112.65 175.294 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.332 3.5 p . . . . . 0 N--CA 1.515 2.806 0 CA-C-O 116.909 -1.52 . . . . 0.0 112.92 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 m80 21.86 73.16 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 127.874 2.47 . . . . 0.0 114.527 -175.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.69 160.59 11.35 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.881 0.473 . . . . 0.0 111.41 -176.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p -62.75 150.67 86.48 Favored Pre-proline 0 N--CA 1.481 1.097 0 CA-C-O 118.29 -0.862 . . . . 0.0 109.071 168.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -53.09 -36.94 78.62 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.601 2.201 . . . . 0.0 114.336 173.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -64.34 -47.22 80.21 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.631 1.172 . . . . 0.0 112.16 173.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -72.0 -39.38 69.27 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.267 -0.896 . . . . 0.0 111.813 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.5 -45.3 73.24 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.677 1.191 . . . . 0.0 111.048 168.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.3 t -57.27 -51.64 68.53 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.505 1.048 . . . . 0.0 111.069 171.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.02 -50.09 64.94 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.913 0.885 . . . . 0.0 113.382 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.476 HG21 ' CZ ' ' B' ' 130' ' ' TYR . 7.2 p -69.24 -57.51 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.431 -0.793 . . . . 0.0 112.369 174.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -68.5 -36.35 78.78 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 120.936 -1.103 . . . . 0.0 111.97 -167.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.63 -37.57 85.12 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.121 0.873 . . . . 0.0 112.035 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.53 -41.68 83.96 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.38 -0.825 . . . . 0.0 110.425 173.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -18.51 19.61 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 166.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.03 -34.31 42.47 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.966 1.27 . . . . 0.0 113.787 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.01 -15.15 19.17 Favored 'General case' 0 N--CA 1.483 1.225 0 CA-C-N 118.816 1.308 . . . . 0.0 114.211 174.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.51 142.34 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.527 1.131 . . . . 0.0 112.853 -177.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -91.53 90.45 7.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.076 0.95 . . . . 0.0 108.811 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.38 -38.68 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -167.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -62.1 -47.7 83.45 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 118.74 0.7 . . . . 0.0 112.686 173.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -82.79 -51.15 7.93 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 122.756 0.422 . . . . 0.0 110.967 -169.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.8 -32.56 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.45 -0.781 . . . . 0.0 111.67 172.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.21 -47.43 23.38 Favored Glycine 0 C--N 1.339 0.734 0 CA-C-N 119.216 0.917 . . . . 0.0 111.286 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.87 -38.46 95.39 Favored Glycine 0 N--CA 1.465 0.627 0 CA-C-N 117.807 0.804 . . . . 0.0 113.007 170.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -64.69 -42.32 95.4 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 117.815 -1.088 . . . . 0.0 111.832 170.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.675 ' HA ' HG12 ' B' ' 113' ' ' VAL . . . -65.34 -53.0 50.06 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 121.801 2.091 . . . . 0.0 112.657 178.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 tp -69.31 -34.01 74.04 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 118.503 -0.76 . . . . 0.0 111.245 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.94 -48.93 71.26 Favored Glycine 0 N--CA 1.466 0.675 0 CA-C-N 119.228 0.922 . . . . 0.0 112.082 171.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.06 -37.57 54.16 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 118.776 1.288 . . . . 0.0 111.474 173.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' B' ' 106' ' ' LEU . 23.4 tp -52.46 -45.62 66.17 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.359 1.436 . . . . 0.0 112.216 174.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.656 HD13 HD11 ' B' ' 48' ' ' LEU . 6.9 mt -71.89 -32.78 67.77 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.143 1.777 . . . . 0.0 111.479 -176.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.95 -48.06 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 122.866 0.466 . . . . 0.0 111.633 174.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.27 -43.16 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.745 1.618 . . . . 0.0 110.62 -176.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -123.08 98.87 41.51 Favored Pre-proline 0 CA--C 1.537 0.451 0 C-N-CA 124.29 1.036 . . . . 0.0 110.992 174.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -67.34 -16.54 48.27 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.437 2.091 . . . . 0.0 113.106 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.28 -45.27 68.83 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.652 1.114 . . . . 0.0 110.753 170.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -14.47 9.25 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.485 1.514 . . . . 0.0 113.469 -176.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -53.15 -23.62 8.69 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.525 1.13 . . . . 0.0 113.531 170.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -39.49 64.74 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 121.574 1.988 . . . . 0.0 112.199 174.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -83.64 10.46 9.17 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.04 -15.29 30.58 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 171.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.03 -27.49 19.83 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 118.972 0.805 . . . . 0.0 112.83 172.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -84.44 -41.69 16.38 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.987 0.915 . . . . 0.0 113.367 167.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -68.86 -26.67 65.25 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.45 -43.87 1.88 Allowed Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.523 1.535 . . . . 0.0 116.241 168.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -96.86 -111.87 0.14 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.644 1.222 . . . . 0.0 109.199 171.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.656 HD11 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER 58.19 -8.88 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -177.383 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.21 -15.39 2.3 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.799 2.04 . . . . 0.0 116.147 -169.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' THR . . . . . 0.604 ' HG1' ' H ' ' B' ' 53' ' ' ALA . 18.9 p -139.88 162.08 52.56 Favored Pre-proline 0 N--CA 1.47 0.541 0 C-N-CA 127.351 2.261 . . . . 0.0 109.196 173.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.45 -43.66 55.6 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.726 2.284 . . . . 0.0 113.23 173.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.49 -43.01 99.85 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.451 -0.78 . . . . 0.0 111.829 174.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.604 ' H ' ' HG1' ' B' ' 50' ' ' THR . . . -57.92 -45.05 87.12 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.089 175.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.5 t -50.21 -47.46 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 CA-C-N 119.91 1.232 . . . . 0.0 112.549 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mmt -75.47 -27.86 59.03 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -174.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.69 -6.51 56.26 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.284 0.945 . . . . 0.0 115.164 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.6 112.37 5.17 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 125.929 1.692 . . . . 0.0 112.447 -173.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.94 -41.04 56.87 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.06 2.507 . . . . 0.0 113.625 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -63.4 -36.63 84.36 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.07 -1.019 . . . . 0.0 112.576 174.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 77.8 t -65.88 -36.7 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-N 120.284 1.402 . . . . 0.0 111.899 173.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -63.4 -51.45 65.77 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.211 0.914 . . . . 0.0 111.87 170.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.26 -44.13 97.24 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.24 1.016 . . . . 0.0 113.654 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -71.21 -34.57 70.97 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.272 1.429 . . . . 0.0 111.025 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.53 -43.49 98.79 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.724 1.63 . . . . 0.0 113.127 169.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -56.26 -45.19 80.17 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.203 1.002 . . . . 0.0 111.609 166.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.12 -51.87 67.77 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.216 0.916 . . . . 0.0 112.701 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 10.0 m -58.75 -40.02 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 119.58 1.082 . . . . 0.0 111.611 175.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 tt -71.6 -40.21 69.99 Favored 'General case' 0 C--O 1.223 -0.291 0 O-C-N 121.02 -1.05 . . . . 0.0 112.772 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.16 -40.68 52.39 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.381 0.991 . . . . 0.0 111.394 171.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.23 -49.32 72.39 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 169.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -57.56 -37.31 72.91 Favored 'General case' 0 CA--C 1.556 1.202 0 O-C-N 119.936 -1.728 . . . . 0.0 113.042 174.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 75.1 m -67.07 -46.13 75.23 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.715 1.606 . . . . 0.0 113.355 172.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -57.07 -27.39 61.69 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.844 0.747 . . . . 0.0 111.808 171.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.18 -60.73 7.16 Favored Glycine 0 C--N 1.34 0.787 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 168.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.62 -24.29 55.64 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.82 -15.43 41.99 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.702 1.601 . . . . 0.0 114.597 173.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -149.73 36.68 0.71 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -170.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 88.9 mt -56.66 -18.01 10.78 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.323 1.449 . . . . 0.0 114.672 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -55.01 -38.29 67.71 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.569 1.548 . . . . 0.0 113.496 177.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.9 87.25 0.93 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.587 1.155 . . . . 0.0 111.144 176.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.29 -44.43 96.54 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.778 -0.576 . . . . 0.0 111.735 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -61.19 -15.75 37.43 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 120.574 -1.329 . . . . 0.0 113.864 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.61 -14.59 49.67 Favored Glycine 0 CA--C 1.541 1.719 0 C-N-CA 125.99 1.757 . . . . 0.0 115.647 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.9 m -112.94 -26.59 8.44 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 118.861 1.33 . . . . 0.0 112.306 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -95.02 4.53 53.67 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.665 1.186 . . . . 0.0 113.23 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.1 -38.87 71.32 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.738 1.385 . . . . 0.0 114.738 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 7.2 p -67.28 -35.44 79.48 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.15 -0.969 . . . . 0.0 112.223 173.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 35.3 mt -77.48 -33.39 54.56 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 118.852 -0.594 . . . . 0.0 112.394 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 99.4 p -70.48 -38.4 74.38 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 120.632 1.56 . . . . 0.0 111.853 173.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.64 -47.03 87.2 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.719 -0.613 . . . . 0.0 112.041 166.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 46.9 tp -55.94 -53.81 52.38 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.924 -1.11 . . . . 0.0 111.646 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -80.91 24.45 0.5 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.708 1.203 . . . . 0.0 113.796 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 42.5 t -145.88 -63.0 0.32 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.646 0.778 . . . . 0.0 112.497 169.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.53 -36.19 78.49 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.679 -1.263 . . . . 0.0 113.102 -177.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.28 -35.6 12.36 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 174.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.43 ' C ' ' H ' ' B' ' 98' ' ' VAL . 17.1 mt -136.68 69.26 1.42 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.294 1.838 . . . . 0.0 109.943 -171.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -69.84 26.37 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' VAL . . . . . 0.43 ' H ' ' C ' ' B' ' 96' ' ' LEU . 7.5 p -43.92 150.4 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 126.91 2.084 . . . . 0.0 111.514 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.28 128.46 1.71 Allowed Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 123.448 0.699 . . . . 0.0 112.14 171.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -64.59 -46.22 7.5 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 121.405 1.404 . . . . 0.0 110.943 -172.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.56 -40.26 0.84 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.42 1.888 . . . . 0.0 115.539 -177.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -56.79 -27.0 59.07 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . 0.413 ' CD2' ' HB1' ' B' ' 138' ' ' ALA . 0.0 OUTLIER -55.97 -38.38 70.31 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 120.343 1.429 . . . . 0.0 112.848 170.705 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -86.51 -37.96 17.71 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 125.1 1.36 . . . . 0.0 109.756 -176.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 94.6 mt -59.12 -46.82 87.35 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.901 170.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.471 ' HA ' HD13 ' B' ' 31' ' ' LEU . 5.0 tt -57.74 -45.12 86.26 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.415 1.007 . . . . 0.0 111.484 172.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -56.87 -53.84 41.2 Favored Glycine 0 CA--C 1.532 1.132 0 N-CA-C 115.087 0.795 . . . . 0.0 115.087 172.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.38 -23.81 63.78 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 120.783 -1.422 . . . . 0.0 112.189 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 23.7 t -68.56 -49.02 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 O-C-N 120.96 -1.087 . . . . 0.0 111.09 163.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 48.1 tp -54.43 -48.48 71.62 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 123.789 0.836 . . . . 0.0 110.466 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 3.1 m -60.94 -30.8 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 119.001 0.818 . . . . 0.0 112.278 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 9.1 t -76.59 -41.65 45.5 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.96 0.904 . . . . 0.0 112.253 -174.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . 0.675 HG12 ' HA ' ' B' ' 27' ' ' ALA . 0.1 OUTLIER -62.35 -39.9 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 O-C-N 120.907 -1.121 . . . . 0.0 112.236 172.75 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.65 -44.69 95.63 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.562 1.528 . . . . 0.0 109.193 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.08 -31.25 65.05 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 171.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -50.6 28.02 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.301 0.955 . . . . 0.0 112.682 173.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -74.71 -20.95 59.64 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -175.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -125.25 42.2 3.34 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.778 2.031 . . . . 0.0 110.903 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -53.5 -29.56 39.68 Favored Glycine 0 N--CA 1.474 1.207 0 C-N-CA 124.918 1.247 . . . . 0.0 115.829 -177.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -80.46 -2.23 44.99 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.914 1.286 . . . . 0.0 114.005 174.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -138.2 2.75 2.34 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.066 2.146 . . . . 0.0 113.361 -170.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -71.43 19.79 0.06 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 117.328 2.344 . . . . 0.0 117.328 -168.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 27.0 p -32.58 144.56 0.12 Allowed Pre-proline 0 N--CA 1.486 1.364 0 C-N-CA 127.827 2.451 . . . . 0.0 115.683 -157.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -42.85 -47.17 8.27 Favored 'Trans proline' 0 CA--C 1.552 1.383 0 C-N-CA 122.237 1.958 . . . . 0.0 115.753 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.83 -22.22 23.86 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.328 2.019 . . . . 0.0 115.822 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 1.1 t -51.14 -53.05 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 CA-C-N 121.705 2.048 . . . . 0.0 110.222 170.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -43.99 97.51 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.328 -0.858 . . . . 0.0 111.989 -178.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.32 96.99 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 121.817 -0.552 . . . . 0.0 112.466 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.55 81.25 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.2 0.6 . . . . 0.0 111.045 174.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.476 ' CZ ' HG21 ' B' ' 11' ' ' VAL . 43.0 m-85 -56.52 -49.56 74.39 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 118.485 -0.769 . . . . 0.0 111.702 170.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -54.39 -37.04 64.56 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.722 1.147 . . . . 0.0 113.017 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -71.31 -41.7 69.57 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 120.642 1.565 . . . . 0.0 114.569 177.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 2.9 p -66.22 -43.01 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 CA-C-N 120.64 1.564 . . . . 0.0 111.113 171.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 28.6 t -58.63 -48.55 85.4 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 C-N-CA 124.464 1.106 . . . . 0.0 111.029 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.08 97.71 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.222 1.009 . . . . 0.0 112.158 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.17 -48.39 83.19 Favored Glycine 0 N--CA 1.471 0.982 0 O-C-N 121.76 -0.587 . . . . 0.0 112.978 175.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.11 -42.11 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 118.093 0.946 . . . . 0.0 111.127 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 138' ' ' ALA . . . . . 0.413 ' HB1' ' CD2' ' B' ' 103' ' ' PHE . . . -58.11 -47.02 84.55 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.341 1.056 . . . . 0.0 110.966 174.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -59.64 -37.79 79.62 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.242 -0.911 . . . . 0.0 112.604 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.64 96.53 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.741 0.701 . . . . 0.0 111.879 171.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.55 -39.78 92.34 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.892 1.223 . . . . 0.0 112.224 174.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.01 -10.01 50.23 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 172.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -60.9 -26.79 67.69 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 120.585 1.539 . . . . 0.0 114.204 -174.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -84.19 -13.34 53.03 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.212 1.005 . . . . 0.0 113.583 173.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 0.983 0 C-N-CA 125.984 1.714 . . . . 0.0 111.928 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.514 2.747 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -137.73 -177.23 4.71 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 121.552 1.978 . . . . 0.0 112.919 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.01 -163.4 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 126.182 1.793 . . . . 0.0 112.01 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -102.55 -38.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 123.159 2.573 . . . . 0.0 115.135 169.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.63 -32.21 71.92 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.633 -1.292 . . . . 0.0 112.77 -174.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -59.31 -48.65 80.84 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 125.051 1.341 . . . . 0.0 112.63 166.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -55.65 -49.07 73.86 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.042 0.837 . . . . 0.0 109.813 174.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 80.2 m -55.5 -50.12 70.77 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.51 0.724 . . . . 0.0 112.357 176.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . 0.419 ' HB2' ' HG ' ' C' ' 124' ' ' SER . 94.0 m-20 -61.61 -39.57 91.73 Favored 'General case' 0 C--O 1.224 -0.268 0 O-C-N 121.659 -0.65 . . . . 0.0 112.236 176.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 41.5 t -65.32 -44.12 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 124.003 0.921 . . . . 0.0 111.402 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -61.63 -46.22 90.72 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.5 1.045 . . . . 0.0 111.389 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.68 -52.66 64.54 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.26 0.624 . . . . 0.0 111.365 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.54 -51.62 68.72 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.54 1.136 . . . . 0.0 111.787 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -66.37 -27.17 67.66 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.255 -0.903 . . . . 0.0 113.108 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.95 -41.48 94.33 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.339 0.971 . . . . 0.0 112.936 167.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -69.71 -35.0 74.68 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 118.388 1.094 . . . . 0.0 111.792 171.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.411 HG11 ' HB2' ' C' ' 21' ' ' ALA . 87.0 t -65.83 -26.97 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 125.008 1.323 . . . . 0.0 113.706 177.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -35.89 123.0 0.69 Allowed Glycine 0 CA--C 1.54 1.64 0 C-N-CA 125.196 1.379 . . . . 0.0 114.412 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 78.9 -39.29 0.23 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 129.163 2.985 . . . . 0.0 114.611 -173.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -75.37 -17.41 60.23 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.205 1.002 . . . . 0.0 113.608 175.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -38.48 -54.47 1.49 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 127.395 2.278 . . . . 0.0 114.501 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.38 -32.48 64.99 Favored Glycine 0 N--CA 1.466 0.634 0 O-C-N 121.755 -0.591 . . . . 0.0 114.106 -178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -59.31 -45.98 89.82 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.995 0.918 . . . . 0.0 109.489 170.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' TYR . . . . . 0.526 ' HA ' HG21 ' C' ' 108' ' ' THR . 13.0 m-30 -65.93 -39.88 90.9 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.62 -46.98 93.39 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 123.182 0.42 . . . . 0.0 112.671 171.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.44 -45.77 90.64 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 117.956 0.878 . . . . 0.0 112.076 177.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.09 -41.15 97.9 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.197 0.599 . . . . 0.0 112.326 174.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.12 -45.87 89.96 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.87 -0.519 . . . . 0.0 112.15 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 74.9 mt -56.36 -54.21 48.19 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.147 0.979 . . . . 0.0 110.996 175.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -58.27 -40.79 82.82 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.881 0.472 . . . . 0.0 111.9 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.5 ttm105 -61.58 -35.17 77.05 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 117.337 -1.316 . . . . 0.0 113.017 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 13.3 mtm -61.29 -45.98 92.23 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 120.434 1.47 . . . . 0.0 111.486 171.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -66.45 -15.8 63.61 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -111.27 -22.73 11.22 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.744 1.217 . . . . 0.0 113.336 174.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 82.4 p -80.08 -36.47 35.45 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.894 1.225 . . . . 0.0 113.53 172.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -130.51 80.33 70.43 Favored Pre-proline 0 CA--C 1.541 0.63 0 C-N-CA 127.574 2.35 . . . . 0.0 109.354 -175.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.39 -17.09 3.85 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 123.755 2.97 . . . . 0.0 115.686 175.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 5.6 p -54.61 -31.37 57.01 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.269 1.427 . . . . 0.0 113.987 166.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 12.4 p -63.09 -39.1 93.71 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.779 1.627 . . . . 0.0 111.572 174.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -56.23 -37.54 69.87 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.735 1.614 . . . . 0.0 112.703 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.25 -24.69 66.56 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 177.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -67.73 -12.54 60.75 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.272 -0.893 . . . . 0.0 112.509 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 32.46 57.5 1.32 Allowed Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 127.208 2.203 . . . . 0.0 112.906 -177.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -77.91 64.07 8.2 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 124.243 3.295 . . . . 0.0 112.625 -162.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.29 3.4 p-80 49.45 20.67 0.49 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 128.734 2.814 . . . . 0.0 115.957 -168.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -111.87 149.24 32.12 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.181 1.392 . . . . 0.0 112.075 -173.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.34 -18.53 6.75 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.928 1.691 . . . . 0.0 113.34 -173.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt 51.72 38.08 21.94 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.634 1.574 . . . . 0.0 113.754 175.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 66.4 p -67.28 22.49 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 127.977 2.511 . . . . 0.0 117.003 -172.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 m80 73.48 114.16 0.06 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 128.653 2.781 . . . . 0.0 112.832 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.97 25.64 70.9 Favored Glycine 0 CA--C 1.539 1.583 0 O-C-N 121.535 -0.728 . . . . 0.0 113.988 -174.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 88.0 p -64.96 142.06 58.57 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.382 1.073 . . . . 0.0 113.365 -169.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.94 -33.23 75.24 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.549 -0.719 . . . . 0.0 112.636 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.5 -40.95 98.41 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 95.7 t -71.13 -44.4 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 CA-C-N 119.863 1.21 . . . . 0.0 111.326 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.9 -44.52 95.88 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 118.732 0.696 . . . . 0.0 111.973 174.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.22 -51.64 57.61 Favored Glycine 0 N--CA 1.47 0.962 0 C-N-CA 124.042 0.829 . . . . 0.0 112.32 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -58.65 -41.51 86.21 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.654 -0.91 . . . . 0.0 111.724 174.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.84 -49.68 46.97 Favored Glycine 0 CA--C 1.532 1.117 0 O-C-N 121.537 -0.727 . . . . 0.0 113.277 170.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -44.6 87.39 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.355 1.078 . . . . 0.0 112.159 173.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -59.43 -54.19 49.5 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 119.499 1.045 . . . . 0.0 111.939 175.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 86.3 t -53.77 -42.0 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.112 0.965 . . . . 0.0 110.751 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 63' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -65.8 -45.62 81.69 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 176.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -61.6 -35.59 78.28 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 120.098 1.317 . . . . 0.0 112.387 174.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.59 98.47 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.281 -0.887 . . . . 0.0 112.382 169.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.0 -43.21 86.52 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 118.92 -0.562 . . . . 0.0 111.334 170.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 21.1 m -59.12 -45.57 90.56 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.928 1.24 . . . . 0.0 111.877 173.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -34.39 78.3 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.575 1.079 . . . . 0.0 111.824 177.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.65 -48.77 79.32 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.033 169.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 97.1 t -56.79 -45.53 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 120.091 1.314 . . . . 0.0 111.463 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.59 -25.29 67.24 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -141.11 31.65 1.76 Allowed 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 124.236 1.014 . . . . 0.0 112.74 -167.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 6.3 p -61.24 -16.19 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 119.352 -2.093 . . . . 0.0 115.879 -162.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -102.17 -0.27 33.47 Favored 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 172.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -130.82 -0.67 4.25 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 128.216 2.606 . . . . 0.0 113.301 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -60.77 -15.86 0.31 Allowed Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 117.357 2.354 . . . . 0.0 117.357 -177.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -47.51 -29.43 10.31 Favored 'Trans proline' 0 C--N 1.358 1.046 0 CA-C-N 123.667 2.345 . . . . 0.0 115.69 163.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.48 -40.12 15.61 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.231 0.923 . . . . 0.0 113.14 170.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.73 -24.81 61.03 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 80.1 mt -97.35 2.65 50.83 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.975 1.31 . . . . 0.0 112.625 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -53.84 -40.86 66.83 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 120.066 1.303 . . . . 0.0 113.932 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.73 -15.47 29.64 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 175.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mt -109.41 -31.27 7.59 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.399 1.88 . . . . 0.0 111.092 -172.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 14.6 m -56.19 -42.46 77.18 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 119.255 -0.402 . . . . 0.0 110.353 153.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -61.97 -32.09 72.5 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.573 1.079 . . . . 0.0 112.968 172.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.2 -66.1 0.56 Allowed 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.052 1.297 . . . . 0.0 108.716 162.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -61.11 -10.12 5.75 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 -173.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.9 -11.7 7.61 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.667 1.587 . . . . 0.0 114.715 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -134.69 -1.51 2.76 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 120.065 1.302 . . . . 0.0 114.359 175.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.81 98.62 2.21 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.822 1.249 . . . . 0.0 112.092 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 7.6 mt 69.93 81.22 0.17 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.349 1.459 . . . . 0.0 110.942 -175.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -63.63 -6.03 4.81 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 116.148 1.907 . . . . 0.0 116.148 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 24.7 t -1.58 114.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 130.001 3.32 . . . . 0.0 115.216 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -34.81 124.09 0.55 Allowed Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 124.976 1.311 . . . . 0.0 112.783 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -43.0 -13.16 0.04 OUTLIER 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 125.0 3.8 . . . . 0.0 116.965 168.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 5.4 p -42.28 -40.63 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 121.138 1.79 . . . . 0.0 112.808 161.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -73.68 -25.52 60.29 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 117.67 -1.157 . . . . 0.0 113.018 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -57.82 -52.62 64.7 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 120.124 1.329 . . . . 0.0 109.038 166.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -55.9 -38.07 69.71 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.011 0.924 . . . . 0.0 111.623 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 78.2 mt -69.7 -47.86 61.67 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 119.011 -0.519 . . . . 0.0 111.388 175.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.84 -42.94 98.76 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.332 0.969 . . . . 0.0 112.274 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 82.0 p -68.19 -45.95 72.01 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.211 0.914 . . . . 0.0 112.179 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -64.59 -44.44 90.65 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.514 1.052 . . . . 0.0 111.86 172.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 62.9 m -62.09 -38.65 89.65 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.186 -0.946 . . . . 0.0 112.446 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 22.1 mt -59.74 -54.8 42.08 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.705 1.139 . . . . 0.0 110.768 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 46.2 mt -49.45 -43.58 45.05 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.814 1.188 . . . . 0.0 111.746 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.91 -42.82 97.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 123.776 0.83 . . . . 0.0 112.321 175.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 108' ' ' THR . . . . . 0.526 HG21 ' HA ' ' C' ' 24' ' ' TYR . 3.0 m -63.79 -45.89 87.64 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.275 1.398 . . . . 0.0 112.482 171.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.11 -48.48 75.93 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.925 -0.56 . . . . 0.0 109.649 -177.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -48.77 -44.5 38.85 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.97 0.908 . . . . 0.0 113.09 171.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.1 -38.5 56.83 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -116.36 -34.67 4.54 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -168.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 3.1 tt -73.13 125.33 91.03 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 171.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -70.88 71.95 2.04 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.245 2.63 . . . . 0.0 111.128 171.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.23 11.52 0.22 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.832 2.053 . . . . 0.0 113.461 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 49.68 21.23 0.62 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.413 2.285 . . . . 0.0 113.775 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 13.9 p90 36.94 27.08 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.454 2.302 . . . . 0.0 115.572 -165.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.92 155.23 92.25 Favored Pre-proline 0 N--CA 1.479 0.976 0 O-C-N 120.507 -1.37 . . . . 0.0 111.815 -173.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.87 -46.86 5.77 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.076 1.851 . . . . 0.0 110.968 173.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.07 98.93 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 118.939 -0.553 . . . . 0.0 112.092 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 90.4 t -65.94 -41.92 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 120.172 1.351 . . . . 0.0 112.348 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -37.55 87.88 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.351 0.978 . . . . 0.0 112.218 173.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.58 -55.24 37.62 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 117.969 0.349 . . . . 0.0 110.525 171.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 124' ' ' SER . . . . . 0.419 ' HG ' ' HB2' ' C' ' 9' ' ' ASN . 15.8 m -56.97 -48.04 79.33 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.469 1.508 . . . . 0.0 112.74 -177.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.87 -43.94 91.33 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.588 0.631 . . . . 0.0 111.916 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.44 -54.91 33.28 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.548 1.067 . . . . 0.0 112.022 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -27.92 67.96 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -66.42 -49.9 65.21 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.94 0.791 . . . . 0.0 111.442 169.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.15 -32.55 68.29 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.148 -0.97 . . . . 0.0 111.749 174.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.9 -32.91 73.72 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 171.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 93.1 p -74.01 -42.5 60.27 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.125 -1.609 . . . . 0.0 111.301 170.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 94.0 t -53.59 -50.27 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.961 0.904 . . . . 0.0 110.385 173.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 133' ' ' SER . . . . . 0.412 ' CB ' ' CD1' ' C' ' 98' ' ' PHE . 96.1 p -66.17 -45.04 82.31 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 177.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 23.2 m -52.45 -44.38 65.48 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.221 0.919 . . . . 0.0 110.567 175.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.94 -47.53 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 123.012 0.525 . . . . 0.0 112.289 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -19.98 63.19 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 177.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 98.5 m -101.79 -2.56 29.81 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.1 2.16 . . . . 0.0 112.172 177.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 CA--C 1.544 0.745 0 O-C-N 120.569 -1.332 . . . . 0.0 112.601 175.324 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.33 3.6 p . . . . . 0 N--CA 1.516 2.839 0 CA-C-O 116.79 -1.576 . . . . 0.0 112.881 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 m80 21.81 73.17 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 127.841 2.456 . . . . 0.0 114.61 -175.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.51 160.55 10.98 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.953 0.501 . . . . 0.0 111.391 -176.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p -62.81 150.82 86.45 Favored Pre-proline 0 N--CA 1.48 1.049 0 CA-C-O 118.297 -0.859 . . . . 0.0 109.071 168.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -53.32 -36.85 80.03 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 122.687 2.258 . . . . 0.0 114.201 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -64.29 -47.35 79.86 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.66 1.184 . . . . 0.0 112.086 173.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -71.94 -39.56 69.35 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 121.183 -0.948 . . . . 0.0 111.746 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -45.3 72.71 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 117.732 -1.127 . . . . 0.0 111.109 168.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 24.2 t -57.18 -51.77 68.0 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.603 1.092 . . . . 0.0 111.085 171.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.05 -49.96 65.28 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 11' ' ' VAL . . . . . 0.474 HG21 ' CZ ' ' D' ' 130' ' ' TYR . 7.3 p -69.37 -57.55 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 121.494 -0.754 . . . . 0.0 112.287 174.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 4.3 m -68.35 -36.38 79.16 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.008 -1.058 . . . . 0.0 111.961 -167.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.68 -37.49 84.86 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.146 0.885 . . . . 0.0 111.992 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.74 -41.64 83.11 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.387 -0.821 . . . . 0.0 110.362 173.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -18.62 19.44 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 166.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.03 -34.08 43.23 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.991 1.281 . . . . 0.0 113.791 174.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.1 -15.24 19.07 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 118.866 1.333 . . . . 0.0 114.189 174.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.61 142.32 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.419 1.088 . . . . 0.0 112.885 -177.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -91.41 90.31 7.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.069 0.948 . . . . 0.0 108.873 177.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.18 -38.76 62.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -167.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -62.17 -47.74 83.15 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.702 0.683 . . . . 0.0 112.562 173.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -82.86 -50.98 8.06 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 122.66 0.384 . . . . 0.0 111.044 -169.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -32.79 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 O-C-N 121.552 -0.718 . . . . 0.0 111.657 172.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.03 -47.32 24.84 Favored Glycine 0 C--N 1.34 0.79 0 CA-C-N 119.18 0.9 . . . . 0.0 111.475 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.0 -38.5 95.61 Favored Glycine 0 N--CA 1.466 0.693 0 CA-C-N 117.774 0.787 . . . . 0.0 112.944 170.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -64.51 -42.49 95.76 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 117.847 -1.073 . . . . 0.0 111.857 170.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' ALA . . . . . 0.676 ' HA ' HG13 ' D' ' 113' ' ' VAL . . . -65.07 -53.15 50.13 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 121.867 2.121 . . . . 0.0 112.693 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.3 -34.05 74.1 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 118.494 -0.765 . . . . 0.0 111.264 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.88 -48.92 71.74 Favored Glycine 0 N--CA 1.465 0.568 0 CA-C-N 119.263 0.938 . . . . 0.0 112.235 171.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.74 -37.68 52.16 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 118.687 1.244 . . . . 0.0 111.591 173.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' D' ' 106' ' ' LEU . 23.4 tp -52.51 -45.63 66.31 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.327 1.421 . . . . 0.0 112.293 175.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . 0.655 HD13 HD11 ' D' ' 48' ' ' LEU . 6.9 mt -71.83 -32.95 68.06 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.116 1.766 . . . . 0.0 111.395 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.79 -48.06 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 118.29 0.496 . . . . 0.0 111.678 174.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.28 -43.06 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.812 1.645 . . . . 0.0 110.607 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -123.32 99.0 40.59 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 124.255 1.022 . . . . 0.0 110.97 174.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -67.44 -16.4 47.5 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.377 2.051 . . . . 0.0 113.102 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -45.26 69.15 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.608 1.094 . . . . 0.0 110.705 170.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.99 -14.34 9.06 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.56 1.544 . . . . 0.0 113.479 -176.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -53.25 -23.63 9.35 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.634 1.174 . . . . 0.0 113.366 170.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -39.63 64.66 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 121.772 2.078 . . . . 0.0 112.112 173.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -83.6 10.36 9.33 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.01 -15.26 29.86 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 171.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -52.82 -27.71 19.44 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 119.078 0.854 . . . . 0.0 112.814 172.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -84.37 -41.8 16.36 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.073 0.949 . . . . 0.0 113.268 167.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -69.07 -26.45 64.96 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.39 -43.92 1.87 Allowed Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.488 1.518 . . . . 0.0 116.348 168.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -96.93 -111.93 0.15 Allowed 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.629 1.214 . . . . 0.0 109.097 171.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 48' ' ' LEU . . . . . 0.655 HD11 HD13 ' D' ' 32' ' ' LEU . 0.0 OUTLIER 58.39 -9.0 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 116.069 1.877 . . . . 0.0 116.069 -177.423 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.29 -15.34 2.37 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.799 2.039 . . . . 0.0 116.204 -169.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 50' ' ' THR . . . . . 0.595 ' HG1' ' H ' ' D' ' 53' ' ' ALA . 19.3 p -140.0 162.14 51.99 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 127.228 2.211 . . . . 0.0 109.092 173.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.47 -43.62 56.01 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.743 2.295 . . . . 0.0 113.192 173.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.42 -43.08 99.68 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.528 -0.733 . . . . 0.0 111.936 174.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 53' ' ' ALA . . . . . 0.595 ' H ' ' HG1' ' D' ' 50' ' ' THR . . . -57.94 -44.98 87.27 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.071 175.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 38.6 t -50.16 -47.58 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 CA-C-N 119.92 1.236 . . . . 0.0 112.578 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mmt -75.42 -27.8 59.13 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -174.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.75 -6.42 56.24 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.202 0.906 . . . . 0.0 115.205 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.72 112.39 5.25 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 125.88 1.672 . . . . 0.0 112.416 -173.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.91 -41.15 56.21 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.133 2.556 . . . . 0.0 113.611 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -63.4 -36.56 84.13 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.976 -1.077 . . . . 0.0 112.553 174.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.96 -36.73 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 CA-C-N 120.408 1.458 . . . . 0.0 111.813 173.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -63.43 -51.38 65.97 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 119.303 0.956 . . . . 0.0 111.917 170.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.55 96.48 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.45 1.1 . . . . 0.0 113.612 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -70.97 -34.52 71.5 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.38 1.472 . . . . 0.0 111.076 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.59 -43.59 98.76 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 125.826 1.679 . . . . 0.0 113.051 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -56.31 -44.75 80.21 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.277 1.039 . . . . 0.0 111.675 166.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -52.11 66.64 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.261 0.937 . . . . 0.0 112.572 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 9.5 m -58.75 -39.87 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.681 1.128 . . . . 0.0 111.615 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 tt -71.65 -40.33 69.74 Favored 'General case' 0 C--O 1.222 -0.36 0 O-C-N 120.959 -1.088 . . . . 0.0 112.704 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.98 -40.61 50.93 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 124.35 0.976 . . . . 0.0 111.498 171.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.28 -49.46 71.76 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 169.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -57.6 -37.24 72.91 Favored 'General case' 0 CA--C 1.556 1.206 0 O-C-N 119.85 -1.781 . . . . 0.0 113.046 174.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 75.3 m -66.93 -46.26 75.33 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.777 1.631 . . . . 0.0 113.483 172.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -56.9 -27.49 60.8 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.891 0.769 . . . . 0.0 111.86 171.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.24 -60.78 7.07 Favored Glycine 0 C--N 1.34 0.768 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 168.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.62 -24.09 54.59 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.92 -15.46 41.59 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.733 1.613 . . . . 0.0 114.569 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -149.64 36.51 0.72 Allowed 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -170.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 89.0 mt -56.55 -18.11 10.67 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.429 1.492 . . . . 0.0 114.755 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -54.89 -38.35 67.44 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.627 1.571 . . . . 0.0 113.511 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.89 87.25 0.93 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.632 1.173 . . . . 0.0 111.158 176.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.47 -44.32 96.67 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.705 -0.622 . . . . 0.0 111.7 175.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -61.08 -15.9 37.93 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 120.557 -1.339 . . . . 0.0 113.82 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.66 -14.46 49.98 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 126.008 1.766 . . . . 0.0 115.637 176.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.9 m -113.09 -26.38 8.48 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 118.851 1.326 . . . . 0.0 112.403 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -95.23 4.75 53.2 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.563 1.145 . . . . 0.0 113.122 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.23 -38.91 71.73 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 7.1 p -67.22 -35.45 79.6 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.186 -0.947 . . . . 0.0 112.223 173.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 35.8 mt -77.39 -33.54 55.08 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 118.963 -0.541 . . . . 0.0 112.374 176.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 99.5 p -70.43 -38.54 74.57 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 120.491 1.496 . . . . 0.0 111.723 173.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.47 -47.2 86.42 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.031 0.533 . . . . 0.0 112.078 166.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 47.1 tp -55.79 -53.78 52.5 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 120.908 -1.12 . . . . 0.0 111.747 175.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -80.95 24.43 0.5 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.638 1.175 . . . . 0.0 113.831 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 42.5 t -145.73 -63.1 0.33 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.615 0.766 . . . . 0.0 112.46 169.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.56 -36.22 78.47 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.817 -1.177 . . . . 0.0 113.111 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.24 -35.5 12.43 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 174.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . 0.436 ' C ' ' H ' ' D' ' 98' ' ' VAL . 17.1 mt -136.7 69.15 1.42 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.329 1.852 . . . . 0.0 109.986 -172.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -69.68 26.08 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.1 0 O-C-N 120.714 -1.241 . . . . 0.0 114.343 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 98' ' ' VAL . . . . . 0.436 ' H ' ' C ' ' D' ' 96' ' ' LEU . 7.4 p -43.79 150.37 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 126.944 2.098 . . . . 0.0 111.568 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.34 128.38 1.74 Allowed Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 123.535 0.734 . . . . 0.0 112.155 171.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.57 -46.07 7.8 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 121.363 1.375 . . . . 0.0 110.973 -172.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.67 -40.04 0.85 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.381 1.872 . . . . 0.0 115.66 -177.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -56.91 -26.95 60.24 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 103' ' ' PHE . . . . . 0.415 ' CD2' ' HB1' ' D' ' 138' ' ' ALA . 0.0 OUTLIER -56.19 -38.27 70.73 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 120.311 1.414 . . . . 0.0 112.907 170.828 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -86.47 -38.05 17.68 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 125.244 1.418 . . . . 0.0 109.733 -176.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.27 -46.6 88.09 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.906 170.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . 0.469 ' HA ' HD13 ' D' ' 31' ' ' LEU . 5.0 tt -57.74 -45.15 86.22 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.408 1.004 . . . . 0.0 111.517 172.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.02 -53.64 42.98 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 115.029 0.772 . . . . 0.0 115.029 172.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.42 -23.95 63.77 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.668 -1.489 . . . . 0.0 112.195 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 23.5 t -68.68 -48.82 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 121.037 -1.039 . . . . 0.0 111.087 163.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 48.5 tp -54.51 -48.44 71.91 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 123.737 0.815 . . . . 0.0 110.445 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 3.1 m -60.85 -30.89 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 119.068 0.849 . . . . 0.0 112.113 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 9.2 t -76.66 -41.61 44.97 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.003 0.921 . . . . 0.0 112.305 -174.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 113' ' ' VAL . . . . . 0.676 HG13 ' HA ' ' D' ' 27' ' ' ALA . 0.1 OUTLIER -62.35 -40.06 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 O-C-N 120.952 -1.093 . . . . 0.0 112.101 172.791 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -44.87 95.41 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.712 1.597 . . . . 0.0 109.14 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.21 -30.78 64.85 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 171.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.26 -50.43 27.3 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.29 0.95 . . . . 0.0 112.576 173.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -74.81 -20.88 59.6 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.323 0.861 . . . . 0.0 113.323 -175.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -125.32 42.34 3.31 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.736 2.015 . . . . 0.0 110.857 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -53.59 -29.46 40.13 Favored Glycine 0 N--CA 1.476 1.327 0 C-N-CA 124.81 1.195 . . . . 0.0 115.828 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -80.39 -2.25 44.78 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.828 1.251 . . . . 0.0 114.081 174.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -138.11 2.69 2.35 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 127.061 2.145 . . . . 0.0 113.294 -170.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -71.55 20.13 0.06 Allowed 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -168.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 26.9 p -32.69 144.39 0.13 Allowed Pre-proline 0 N--CA 1.487 1.395 0 C-N-CA 127.692 2.397 . . . . 0.0 115.737 -158.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -42.89 -46.88 8.5 Favored 'Trans proline' 0 CA--C 1.55 1.29 0 C-N-CA 122.08 1.854 . . . . 0.0 115.864 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.76 -22.51 23.71 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.397 2.065 . . . . 0.0 115.774 173.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 1.1 t -51.14 -52.9 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 121.647 2.021 . . . . 0.0 110.337 170.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -43.99 97.47 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 121.366 -0.834 . . . . 0.0 112.022 -178.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.35 97.07 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 121.75 -0.594 . . . . 0.0 112.346 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.67 80.77 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.263 0.625 . . . . 0.0 110.905 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 130' ' ' TYR . . . . . 0.474 ' CZ ' HG21 ' D' ' 11' ' ' VAL . 42.8 m-85 -56.6 -49.33 75.26 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 118.469 -0.777 . . . . 0.0 111.73 170.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -54.4 -37.18 64.77 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.741 1.155 . . . . 0.0 112.966 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -71.24 -41.81 69.67 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.613 1.551 . . . . 0.0 114.523 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 2.8 p -66.22 -42.88 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 CA-C-N 120.587 1.54 . . . . 0.0 111.117 171.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 29.0 t -58.66 -48.67 85.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 C-N-CA 124.453 1.101 . . . . 0.0 110.922 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.97 97.9 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.272 1.029 . . . . 0.0 112.138 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.16 -48.57 82.04 Favored Glycine 0 N--CA 1.471 0.974 0 O-C-N 121.741 -0.599 . . . . 0.0 112.882 175.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -42.12 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.118 0.959 . . . . 0.0 111.128 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 138' ' ' ALA . . . . . 0.415 ' HB1' ' CD2' ' D' ' 103' ' ' PHE . . . -58.1 -47.02 84.5 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.301 1.04 . . . . 0.0 111.057 174.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -59.51 -37.92 79.56 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.328 -0.857 . . . . 0.0 112.699 173.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.35 -43.72 96.9 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.657 0.662 . . . . 0.0 111.988 171.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 15.3 mt -61.47 -39.97 92.84 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.714 1.143 . . . . 0.0 112.197 174.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.95 -9.88 48.86 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 172.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -61.01 -26.68 67.78 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.566 1.53 . . . . 0.0 114.179 -174.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -84.3 -13.25 52.95 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.136 0.975 . . . . 0.0 113.524 173.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -95.58 -33.22 12.47 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.016 1.726 . . . . 0.0 111.923 179.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.254 1.333 0 C-N-CA 129.832 3.253 . . . . 0.0 117.69 174.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.253 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.631 HD13 HG23 ' A' ' 73' ' ' VAL . 1.4 mp -125.53 -134.54 0.26 Allowed 'General case' 0 CA--C 1.56 1.336 0 CA-C-N 122.68 2.491 . . . . 0.0 110.202 -171.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m 124.9 -30.07 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.98 0 C-N-CA 130.863 3.665 . . . . 0.0 117.099 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -57.87 -173.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 124.814 3.676 . . . . 0.0 116.652 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.24 -28.51 1.95 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.596 1.558 . . . . 0.0 114.587 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -57.4 -45.59 84.38 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.34 -0.85 . . . . 0.0 113.023 169.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.46 -49.65 64.23 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 120.368 1.44 . . . . 0.0 109.869 171.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.1 m -57.5 -43.43 84.19 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.764 0.711 . . . . 0.0 111.166 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -63.67 -37.67 88.24 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.629 0.772 . . . . 0.0 112.478 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.19 -47.26 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 119.645 1.111 . . . . 0.0 111.558 171.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -43.98 94.49 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 119.74 1.155 . . . . 0.0 110.855 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.21 -56.48 21.57 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.997 0.919 . . . . 0.0 110.467 173.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.65 -52.49 59.78 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.406 1.082 . . . . 0.0 112.053 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -65.9 -27.04 67.9 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 178.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.98 -38.04 95.41 Favored Glycine 0 CA--C 1.535 1.338 0 O-C-N 121.289 -0.882 . . . . 0.0 112.834 168.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -67.51 -40.51 85.13 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 117.906 0.853 . . . . 0.0 111.311 169.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.5 t -60.35 -48.15 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.187 0.995 . . . . 0.0 112.369 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 35.62 -119.14 0.4 Allowed Glycine 0 CA--C 1.539 1.594 0 C-N-CA 125.115 1.34 . . . . 0.0 114.919 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.1 -25.44 66.22 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 178.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -68.28 -14.56 63.08 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.296 1.039 . . . . 0.0 113.085 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.14 -48.97 4.87 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.977 1.311 . . . . 0.0 113.951 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.26 -31.86 65.83 Favored Glycine 0 C--N 1.338 0.64 0 CA-C-O 118.784 -1.009 . . . . 0.0 113.639 -177.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.26 -41.77 96.78 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.503 1.152 . . . . 0.0 109.995 172.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -67.17 -39.89 86.53 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 120.851 -1.156 . . . . 0.0 113.048 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.49 -48.24 86.0 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-N 118.741 0.701 . . . . 0.0 112.237 172.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.72 -51.6 68.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.308 1.043 . . . . 0.0 111.715 176.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -25.44 66.4 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.877 0.871 . . . . 0.0 113.008 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.78 -43.48 58.81 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.242 0.928 . . . . 0.0 111.725 174.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.5 mt -58.57 -47.92 82.67 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.743 0.817 . . . . 0.0 111.105 174.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -59.54 -48.33 82.06 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 119.274 -0.394 . . . . 0.0 111.633 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.17 -47.35 68.87 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.959 0.904 . . . . 0.0 112.968 172.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 39.6 ttp -58.95 -43.01 91.18 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.517 0.599 . . . . 0.0 111.975 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -59.21 -56.11 26.28 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.808 0.731 . . . . 0.0 111.866 175.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' B' ' 125' ' ' PRO . 4.0 pp -72.61 -23.98 61.01 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -174.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.8 p -82.6 -29.5 30.14 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.892 1.224 . . . . 0.0 113.612 172.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -140.44 67.46 31.07 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 126.085 1.754 . . . . 0.0 110.841 -175.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -61.63 -22.01 73.42 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.882 2.388 . . . . 0.0 114.37 -170.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.7 p -55.59 -33.68 64.14 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.348 1.459 . . . . 0.0 113.318 168.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 t -56.07 -30.54 62.14 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.525 1.13 . . . . 0.0 113.567 175.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -59.49 -30.91 68.89 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.172 1.389 . . . . 0.0 113.022 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 t -61.19 -24.42 66.3 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.537 ' CE1' ' HA ' ' A' ' 93' ' ' VAL . 0.1 OUTLIER -66.3 -15.23 63.07 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 175.01 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -146.52 84.35 7.8 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 124.285 1.034 . . . . 0.0 111.813 175.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -74.01 44.28 0.96 Allowed 'Trans proline' 0 CA--C 1.554 1.494 1 C-N-CA 125.538 4.159 . . . . 0.0 114.295 -174.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -160.55 91.06 0.89 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.689 2.396 . . . . 0.0 108.404 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -176.67 116.34 0.11 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.046 1.338 . . . . 0.0 110.225 167.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.509 ' HB2' HE22 ' A' ' 54' ' ' GLN . 7.2 m-20 -70.08 121.32 17.24 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.23 -0.919 . . . . 0.0 109.593 164.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.4 mt -106.83 25.73 10.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.592 1.157 . . . . 0.0 112.123 -175.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.8 p -57.0 153.33 11.46 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.649 1.18 . . . . 0.0 112.362 175.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -59.44 122.27 13.56 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.652 -0.655 . . . . 0.0 110.599 176.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.98 18.47 72.28 Favored Glycine 0 CA--C 1.539 1.557 0 CA-C-O 118.931 -0.927 . . . . 0.0 114.923 -175.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -47.18 123.15 5.11 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.081 1.44 . . . . 0.0 113.61 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.68 -18.08 61.74 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.449 1.099 . . . . 0.0 113.639 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.509 HE22 ' HB2' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -89.57 -41.54 11.94 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.405 1.002 . . . . 0.0 111.702 173.517 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.1 t -63.12 -38.48 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 O-C-N 121.425 -0.797 . . . . 0.0 111.461 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.79 -41.63 97.97 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 119.355 0.979 . . . . 0.0 113.512 171.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.28 -42.38 50.08 Favored Glycine 0 N--CA 1.474 1.215 0 C-N-CA 124.026 0.822 . . . . 0.0 112.386 -177.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -61.68 -44.22 97.36 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.858 -0.789 . . . . 0.0 110.694 168.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -49.92 -52.78 24.84 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 121.121 -0.987 . . . . 0.0 113.685 172.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -55.5 -35.67 65.84 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 118.858 1.329 . . . . 0.0 113.037 174.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -70.84 -49.75 42.86 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.431 1.093 . . . . 0.0 113.539 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 49.0 t -54.65 -41.13 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 O-C-N 120.923 -1.111 . . . . 0.0 110.729 171.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.51 -49.96 75.45 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -34.68 75.09 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 120.377 1.444 . . . . 0.0 111.845 177.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.85 97.96 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 170.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.56 -43.11 97.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 118.023 -0.989 . . . . 0.0 111.3 171.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.4 m -56.38 -49.02 75.67 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.554 1.524 . . . . 0.0 111.921 170.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -29.76 70.18 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.504 1.502 . . . . 0.0 112.439 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.55 -50.43 51.98 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 118.899 0.772 . . . . 0.0 110.961 170.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.0 t -58.19 -43.41 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 120.059 1.3 . . . . 0.0 111.423 177.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.85 -24.72 67.93 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.018 1.327 . . . . 0.0 113.593 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -138.68 34.02 2.22 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 124.26 1.024 . . . . 0.0 111.142 -173.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.631 HG23 HD13 ' A' ' 2' ' ' LEU . 5.9 p -57.58 -20.5 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 O-C-N 120.719 -1.238 . . . . 0.0 113.712 -167.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -111.38 -0.69 16.23 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.538 1.535 . . . . 0.0 114.379 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.77 23.2 5.0 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 129.405 3.082 . . . . 0.0 110.162 -172.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -109.12 30.02 0.08 OUTLIER Pre-proline 0 CA--C 1.547 0.827 0 C-N-CA 125.895 1.678 . . . . 0.0 114.577 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -64.85 -22.82 63.01 Favored 'Trans proline' 0 C--N 1.355 0.885 0 CA-C-N 123.657 2.342 . . . . 0.0 113.268 -174.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.88 5.94 2.4 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.293 1.437 . . . . 0.0 113.527 175.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -27.06 66.48 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.001 -1.687 . . . . 0.0 113.303 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.6 mt -93.17 5.42 51.56 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.056 0.942 . . . . 0.0 112.01 173.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.6 m -60.85 -36.97 80.51 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 120.14 1.336 . . . . 0.0 113.742 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.5 -32.38 70.22 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.893 1.224 . . . . 0.0 112.291 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.76 -44.64 48.67 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.771 0.828 . . . . 0.0 110.061 173.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.7 t -54.46 -44.05 72.21 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.12 0.418 . . . . 0.0 111.63 172.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -60.14 -42.07 94.07 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.636 -1.29 . . . . 0.0 112.759 175.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tp -59.15 -59.38 5.55 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.646 -1.284 . . . . 0.0 111.4 170.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -69.76 -28.58 65.89 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.235 -0.915 . . . . 0.0 113.275 -173.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.08 -14.11 18.73 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.577 1.551 . . . . 0.0 114.167 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -124.99 -48.86 1.74 Allowed 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.701 1.137 . . . . 0.0 113.518 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -67.87 -34.71 77.21 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 119.897 1.226 . . . . 0.0 112.217 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.9 mt -118.78 -26.17 6.15 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.441 ' HE ' ' HA ' ' D' ' 40' ' ' ARG 0.327 1.3 mtt-85 42.1 53.18 4.35 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 127.806 2.442 . . . . 0.0 114.156 -170.843 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.537 ' HA ' ' CE1' ' A' ' 42' ' ' TYR . 72.1 t -76.84 125.89 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 127.361 2.265 . . . . 0.0 112.317 177.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -51.55 125.55 28.09 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 125.371 1.468 . . . . 0.0 111.052 164.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -39.41 -23.98 0.1 Allowed 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 124.806 3.671 . . . . 0.0 116.775 168.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.5 p -46.11 -42.02 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 120.494 1.497 . . . . 0.0 113.148 171.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -65.39 -33.77 76.73 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.171 -0.955 . . . . 0.0 112.537 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -55.97 -47.34 77.83 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 119.377 0.99 . . . . 0.0 109.178 171.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -56.09 -43.45 78.04 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.786 0.721 . . . . 0.0 110.356 -176.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.0 mt -63.02 -55.03 29.17 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.085 0.954 . . . . 0.0 111.008 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 23.3 tp -56.17 -43.23 78.18 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.482 0.713 . . . . 0.0 112.606 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.4 t -66.53 -44.45 82.42 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.382 1.473 . . . . 0.0 112.828 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -57.01 -46.98 81.93 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.596 -0.69 . . . . 0.0 111.22 169.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 74.4 m -65.55 -33.89 76.98 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 118.522 -0.751 . . . . 0.0 112.891 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.84 -50.78 70.89 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 119.708 1.14 . . . . 0.0 110.866 167.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.8 mt -53.0 -40.58 63.91 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 120.181 1.355 . . . . 0.0 112.038 175.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.5 t -60.8 -53.23 51.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 118.881 -0.58 . . . . 0.0 112.423 171.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.2 p -68.57 -42.09 78.77 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.601 1.091 . . . . 0.0 112.413 -175.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -55.35 -61.69 2.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.106 -0.949 . . . . 0.0 108.821 170.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -50.87 -38.66 50.74 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.851 1.205 . . . . 0.0 112.937 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.31 -23.26 57.28 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 117.522 2.415 . . . . 0.0 117.522 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -127.02 -41.55 1.79 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.72 1.146 . . . . 0.0 112.929 -173.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.57 123.08 83.56 Favored Pre-proline 0 CA--C 1.545 0.761 0 N-CA-C 107.513 -1.292 . . . . 0.0 107.513 168.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.436 ' C ' ' H ' ' A' ' 116' ' ' GLU . 86.4 Cg_endo -70.87 75.65 1.66 Allowed 'Trans proline' 0 CA--C 1.537 0.668 0 C-N-CA 123.057 2.505 . . . . 0.0 110.292 171.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.76 10.17 0.22 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.004 1.322 . . . . 0.0 112.672 174.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 114' ' ' PRO . 41.4 mm-40 42.67 25.78 0.05 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.751 2.42 . . . . 0.0 113.016 -164.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 21.2 p90 39.01 14.36 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.812 2.445 . . . . 0.0 116.564 -162.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.78 155.32 82.98 Favored Pre-proline 0 N--CA 1.472 0.658 0 CA-C-N 120.001 1.273 . . . . 0.0 111.869 -161.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.453 ' HA ' HG23 ' B' ' 33' ' ' VAL . 63.6 Cg_endo -63.02 -45.8 11.9 Favored 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 121.282 1.321 . . . . 0.0 110.855 175.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.79 -24.73 66.99 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.861 -1.149 . . . . 0.0 113.471 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.8 t -86.96 -37.47 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 CA-C-N 119.959 1.254 . . . . 0.0 112.721 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -66.98 -35.46 80.0 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 120.086 -1.634 . . . . 0.0 111.574 169.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.82 -53.51 57.36 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 118.766 -0.635 . . . . 0.0 110.424 169.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.2 p -58.91 -47.0 86.57 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.37 -44.05 95.88 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.511 -0.757 . . . . 0.0 111.774 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.26 -56.48 12.5 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 120.291 1.405 . . . . 0.0 111.855 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -33.53 70.32 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.127 0.421 . . . . 0.0 111.464 -177.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -66.91 -54.5 21.48 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 118.449 -0.786 . . . . 0.0 111.26 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.84 -37.21 70.96 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.692 0.678 . . . . 0.0 111.085 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.24 -30.51 71.15 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 171.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.5 m -81.34 -37.25 28.61 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 120.275 -1.516 . . . . 0.0 112.481 170.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.2 t -52.16 -50.98 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 119.363 0.983 . . . . 0.0 108.796 169.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.0 p -63.75 -48.79 75.56 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-O 117.05 -1.452 . . . . 0.0 113.025 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 52.3 m -51.53 -38.15 52.84 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 121.039 1.745 . . . . 0.0 112.158 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 58.6 t -71.11 -48.92 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 O-C-N 121.065 -1.022 . . . . 0.0 111.184 172.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -3.26 1.97 Allowed 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 44.1 p -126.37 3.46 6.99 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 127.276 2.23 . . . . 0.0 111.267 176.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 CA--C 1.535 0.38 0 C-N-CA 125.156 1.382 . . . . 0.0 111.429 171.753 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.288 2.2 p . . . . . 0 N--CA 1.516 2.841 0 CA-C-O 117.93 -1.033 . . . . 0.0 113.041 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 35.62 80.72 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 127.759 2.424 . . . . 0.0 116.084 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.3 159.06 15.85 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.086 -1.009 . . . . 0.0 111.996 177.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.5 141.85 93.65 Favored Pre-proline 0 N--CA 1.478 0.971 0 CA-C-O 117.941 -1.028 . . . . 0.0 109.632 168.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -47.63 -43.85 27.24 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.453 3.435 . . . . 0.0 116.387 -175.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.5 -39.94 94.72 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.372 -0.83 . . . . 0.0 112.487 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.87 -44.25 66.76 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.653 176.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -47.7 65.3 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.531 1.132 . . . . 0.0 111.453 169.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.5 t -55.7 -52.12 64.95 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.858 0.753 . . . . 0.0 110.755 173.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.22 -49.72 73.3 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.53 HG21 ' CZ ' ' B' ' 130' ' ' TYR . 2.6 p -65.69 -55.51 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-N 119.644 1.111 . . . . 0.0 111.78 175.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -68.01 -36.13 79.47 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 118.93 0.786 . . . . 0.0 111.63 -169.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.69 94.42 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.143 0.883 . . . . 0.0 111.741 175.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.417 ' HA ' ' HE3' ' B' ' 17' ' ' LYS . 0.8 OUTLIER -66.44 -39.54 88.94 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.617 -0.677 . . . . 0.0 110.515 173.493 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -22.03 58.73 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 166.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.87 -37.08 45.38 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.151 0.882 . . . . 0.0 113.162 173.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' B' ' 14' ' ' LEU . 5.9 ptpt -88.05 -21.71 24.6 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.021 0.911 . . . . 0.0 113.378 175.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.518 HG22 HG13 ' B' ' 23' ' ' VAL . 0.3 OUTLIER -53.96 135.56 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 124.613 1.165 . . . . 0.0 111.919 -173.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.13 87.0 7.18 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 90.1 t -53.79 -35.16 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 CA-C-N 119.58 1.082 . . . . 0.0 113.793 -168.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -63.0 -51.08 68.19 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.2 1.0 . . . . 0.0 112.568 172.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -86.14 -45.93 10.9 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.296 -0.878 . . . . 0.0 111.354 -170.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.518 HG13 HG22 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -59.68 -32.45 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-N 119.142 0.883 . . . . 0.0 110.882 169.481 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.93 -45.22 17.0 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 119.025 0.829 . . . . 0.0 111.941 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.45 -42.01 99.15 Favored Glycine 0 N--CA 1.468 0.795 0 CA-C-N 118.599 1.2 . . . . 0.0 112.585 170.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.56 -49.59 75.88 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.351 169.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.478 ' HA ' HG12 ' B' ' 113' ' ' VAL . . . -74.81 -48.45 25.24 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 121.074 1.761 . . . . 0.0 114.85 -172.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.9 tp -62.71 -46.96 85.69 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-O 117.823 -1.084 . . . . 0.0 109.248 172.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.404 ' O ' HG11 ' B' ' 33' ' ' VAL . . . -48.18 -55.62 10.15 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 119.439 1.018 . . . . 0.0 111.573 171.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.59 ' HA ' HG22 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -46.93 -43.87 19.41 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 126.941 2.096 . . . . 0.0 111.31 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 tp -49.63 -49.94 45.02 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 120.53 1.513 . . . . 0.0 110.095 177.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.466 ' HG ' HD11 ' B' ' 48' ' ' LEU . 1.9 mm? -68.84 -32.35 71.98 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.988 0.915 . . . . 0.0 111.771 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.59 HG22 ' HA ' ' B' ' 30' ' ' ARG . 0.9 OUTLIER -70.35 17.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 C-N-CA 124.476 1.11 . . . . 0.0 113.221 164.481 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.442 HG21 ' O ' ' B' ' 30' ' ' ARG . 2.3 t -111.49 17.51 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 119.084 -2.26 . . . . 0.0 111.167 166.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 2.8 t80 46.02 49.57 6.79 Favored Pre-proline 0 CA--C 1.555 1.169 0 O-C-N 120.817 -1.177 . . . . 0.0 112.23 -170.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -79.07 142.89 17.49 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 121.631 1.554 . . . . 0.0 109.265 -173.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -26.09 44.82 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.869 1.268 . . . . 0.0 113.031 172.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 23.0 p -57.11 -20.67 26.9 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 171.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -48.8 -26.78 2.57 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.396 1.078 . . . . 0.0 113.409 170.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.444 ' HA ' ' HE ' ' C' ' 92' ' ' ARG . 5.5 ptm180 -51.25 -31.94 22.61 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 121.22 1.827 . . . . 0.0 115.225 170.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.56 10.56 32.09 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.05 0.94 . . . . 0.0 112.164 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.54 -14.65 21.08 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 175.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -45.42 -31.53 1.73 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.66 1.184 . . . . 0.0 112.735 173.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -96.2 -31.2 13.08 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 170.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -61.43 -27.81 68.82 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 119.978 -1.701 . . . . 0.0 113.121 173.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.18 179.23 7.57 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.114 0.864 . . . . 0.0 113.812 -177.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 33.24 -108.09 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.377 1.871 . . . . 0.0 111.839 -167.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.466 HD11 ' HG ' ' B' ' 32' ' ' LEU . 8.8 tt 59.15 -18.93 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 127.686 2.395 . . . . 0.0 117.163 176.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 15.0 m -50.17 -21.51 1.34 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.466 1.906 . . . . 0.0 114.861 -175.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' THR . . . . . 0.52 ' HG1' ' H ' ' B' ' 53' ' ' ALA . 4.7 p -132.98 157.93 77.12 Favored Pre-proline 0 CA--C 1.542 0.648 0 C-N-CA 125.641 1.576 . . . . 0.0 109.52 165.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.32 -46.41 31.51 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.696 2.264 . . . . 0.0 112.716 170.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -59.49 -41.39 89.74 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.146 -0.971 . . . . 0.0 112.16 176.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.52 ' H ' ' HG1' ' B' ' 50' ' ' THR . . . -60.28 -37.48 80.62 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.144 0.578 . . . . 0.0 111.819 176.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.72 -36.63 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 120.186 1.357 . . . . 0.0 113.25 177.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -32.06 68.83 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.928 0.785 . . . . 0.0 112.764 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.51 -6.79 62.31 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.413 1.006 . . . . 0.0 115.435 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -65.48 120.87 71.62 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-N 119.075 1.437 . . . . 0.0 112.432 -175.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -60.55 -32.44 93.51 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.385 2.723 . . . . 0.0 113.614 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.52 -33.5 66.94 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.659 -1.276 . . . . 0.0 112.84 173.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.11 -36.08 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 119.911 1.232 . . . . 0.0 110.948 171.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -59.8 -52.19 66.5 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.263 0.938 . . . . 0.0 111.897 167.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.5 98.63 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -37.29 77.95 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.42 -1.425 . . . . 0.0 110.971 172.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.39 -45.38 75.71 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 126.965 2.222 . . . . 0.0 113.945 171.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -57.33 -43.39 83.32 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.712 0.805 . . . . 0.0 112.393 169.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -53.63 33.08 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.843 0.857 . . . . 0.0 112.288 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.8 p -55.02 -43.65 70.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 119.197 0.908 . . . . 0.0 111.804 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.411 ' O ' HD21 ' B' ' 68' ' ' LEU . 5.1 tt -72.52 -36.37 68.31 Favored 'General case' 0 C--O 1.223 -0.304 0 O-C-N 120.937 -1.102 . . . . 0.0 113.18 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.64 -35.41 45.72 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 124.895 1.236 . . . . 0.0 112.6 170.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.72 -45.77 67.46 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 117.919 0.86 . . . . 0.0 112.479 169.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -58.58 -39.45 80.38 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 120.17 -1.581 . . . . 0.0 112.865 173.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 89.0 p -73.76 -39.73 64.0 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.613 -1.305 . . . . 0.0 113.276 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -54.74 -32.43 59.78 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.401 1.0 . . . . 0.0 111.309 164.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.9 -63.27 5.22 Favored Glycine 0 C--N 1.341 0.81 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 172.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mt -55.52 -21.57 17.4 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 177.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.55 -27.42 31.65 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.404 1.482 . . . . 0.0 114.552 171.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -147.61 52.09 1.05 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.951 1.7 . . . . 0.0 112.661 -171.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.6 -20.19 64.49 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.411 -1.43 . . . . 0.0 114.32 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -82.22 -9.12 59.61 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.176 1.791 . . . . 0.0 113.828 172.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -130.85 29.04 4.78 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.355 1.862 . . . . 0.0 112.133 -172.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.8 mt -58.09 -17.5 18.54 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -0.13 29.61 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 120.388 1.449 . . . . 0.0 113.778 174.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.09 -32.98 4.45 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.34 1.448 . . . . 0.0 114.282 -177.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.67 -16.25 21.04 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.137 0.975 . . . . 0.0 113.302 175.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -107.37 3.5 25.36 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.813 0.845 . . . . 0.0 113.164 -169.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.31 -34.5 72.4 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.4 p -65.74 -42.2 91.25 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.951 -1.093 . . . . 0.0 111.969 169.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 19.2 mt -69.57 -38.53 77.42 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 123.459 0.703 . . . . 0.0 111.966 177.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 84.2 p -67.08 -40.59 87.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 120.198 1.363 . . . . 0.0 111.566 176.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -61.22 -42.04 97.91 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.423 0.689 . . . . 0.0 112.071 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 30.5 tp -57.49 -60.04 4.26 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.118 -0.989 . . . . 0.0 111.71 170.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -74.25 18.63 0.14 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.123 1.369 . . . . 0.0 114.071 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 48.8 t -131.52 -87.66 0.47 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.173 1.389 . . . . 0.0 108.837 164.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.66 -19.89 29.74 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 -170.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.16 -42.33 6.74 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.885 0.874 . . . . 0.0 112.472 169.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.42 67.5 1.13 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.433 1.893 . . . . 0.0 112.082 -173.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . 0.606 ' H ' ' CD2' ' B' ' 97' ' ' HIS . 0.0 OUTLIER -59.77 33.11 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 128.427 2.691 . . . . 0.0 114.746 162.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 2.1 m -47.17 146.03 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 120.543 -1.348 . . . . 0.0 111.324 167.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.24 138.99 66.24 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 123.755 0.822 . . . . 0.0 111.677 -174.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -50.7 -34.42 43.86 Favored 'Trans proline' 0 CA--C 1.536 0.59 0 C-N-CA 123.152 2.568 . . . . 0.0 115.442 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -50.83 -35.97 35.08 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.693 -1.254 . . . . 0.0 112.782 173.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -65.72 -35.79 81.75 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 118.25 -0.881 . . . . 0.0 113.271 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . 0.431 ' CD1' ' CB ' ' B' ' 138' ' ' ALA . 0.2 OUTLIER -56.76 -48.18 78.41 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.507 1.049 . . . . 0.0 109.106 168.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' ARG . . . . . 0.413 ' N ' ' CD1' ' B' ' 103' ' ' PHE . 20.0 ttm-85 -66.09 -45.19 82.08 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 118.839 -0.6 . . . . 0.0 109.4 -171.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 7.0 mp -53.69 -44.68 69.96 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 118.19 -0.91 . . . . 0.0 112.169 173.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.06 -48.26 79.44 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.041 1.291 . . . . 0.0 111.126 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -54.85 -53.59 38.71 Favored Glycine 0 CA--C 1.536 1.402 0 O-C-N 121.527 -0.733 . . . . 0.0 114.289 173.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -56.03 -36.74 68.34 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.168 1.787 . . . . 0.0 112.308 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.21 -42.24 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 O-C-N 120.643 -1.285 . . . . 0.0 111.811 176.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 47.2 tp -56.56 -50.16 72.71 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.208 0.603 . . . . 0.0 109.737 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.495 HG22 HE22 ' B' ' 131' ' ' GLN . 26.1 m -57.41 -33.23 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 176.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 97.4 m -67.4 -39.1 85.55 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.36 0.982 . . . . 0.0 112.199 175.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . 0.478 HG12 ' HA ' ' B' ' 27' ' ' ALA . 0.2 OUTLIER -68.84 -43.93 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 120.74 -1.225 . . . . 0.0 111.841 178.343 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -41.49 97.5 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.983 1.265 . . . . 0.0 109.816 175.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.17 -37.14 66.64 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 118.752 -0.642 . . . . 0.0 112.486 173.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -72.93 -58.86 3.02 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.028 0.831 . . . . 0.0 113.001 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -67.61 -22.85 65.33 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -173.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -124.28 39.46 3.96 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.319 1.848 . . . . 0.0 110.54 176.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -49.81 163.18 0.71 Allowed Glycine 0 CA--C 1.54 1.611 0 C-N-CA 123.648 0.642 . . . . 0.0 111.831 157.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt 61.88 -24.26 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 126.028 1.731 . . . . 0.0 115.373 -158.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -116.84 -3.74 11.64 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.581 1.152 . . . . 0.0 113.439 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . 0.41 ' O ' ' CG ' ' B' ' 122' ' ' PHE . 0.8 OUTLIER -68.57 39.72 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 127.911 2.484 . . . . 0.0 115.131 179.583 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.41 144.5 1.68 Allowed Pre-proline 0 N--CA 1.487 1.403 0 O-C-N 120.707 -1.245 . . . . 0.0 113.389 -166.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -46.32 -50.29 10.4 Favored 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 122.487 2.125 . . . . 0.0 115.507 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . 0.456 ' HA ' HD12 ' A' ' 34' ' ' LEU . 28.7 Cg_endo -64.39 -23.88 64.87 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.481 2.121 . . . . 0.0 115.595 172.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.43 -43.54 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 120.905 1.684 . . . . 0.0 112.369 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -69.66 -38.77 77.23 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 120.203 1.365 . . . . 0.0 112.335 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . 0.401 ' HB2' HD11 ' A' ' 34' ' ' LEU . . . -60.47 -42.13 95.59 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.544 1.065 . . . . 0.0 111.575 172.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.75 -48.64 80.48 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.738 0.815 . . . . 0.0 111.139 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.53 ' CZ ' HG21 ' B' ' 11' ' ' VAL . 33.6 m-85 -55.56 -49.9 71.48 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 118.57 -0.729 . . . . 0.0 112.051 168.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . 0.495 HE22 HG22 ' B' ' 111' ' ' VAL . 1.2 mp0 -54.76 -37.17 65.66 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.858 1.208 . . . . 0.0 113.2 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -67.92 -42.15 81.52 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.76 1.618 . . . . 0.0 112.658 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.49 -36.86 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.867 -1.145 . . . . 0.0 112.763 176.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 32.2 t -62.33 -49.5 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.933 1.693 . . . . 0.0 110.699 172.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.31 -50.25 74.72 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.919 0.888 . . . . 0.0 110.917 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.72 -52.5 50.27 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-N 118.779 0.718 . . . . 0.0 113.072 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -41.65 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 118.381 1.091 . . . . 0.0 110.485 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 138' ' ' ALA . . . . . 0.431 ' CB ' ' CD1' ' B' ' 103' ' ' PHE . . . -72.86 -36.72 67.46 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -178.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -60.56 -32.43 71.51 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.288 0.949 . . . . 0.0 110.899 168.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -71.18 -37.78 72.15 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 169.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 7.4 mt -64.67 -37.11 86.46 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.308 -1.495 . . . . 0.0 111.347 172.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.48 -8.71 35.68 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.733 1.213 . . . . 0.0 113.675 168.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -66.87 -26.44 66.89 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 119.545 -1.972 . . . . 0.0 113.907 -173.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -80.37 -17.85 50.73 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 121.177 -0.952 . . . . 0.0 113.102 168.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 1.01 0 C-N-CA 126.873 2.069 . . . . 0.0 112.995 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.251 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . 0.632 HD13 HG23 ' C' ' 73' ' ' VAL . 1.4 mp -125.57 -134.58 0.26 Allowed 'General case' 0 CA--C 1.56 1.333 0 CA-C-N 122.685 2.493 . . . . 0.0 110.198 -171.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 46.4 m 125.06 -30.12 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.921 0 C-N-CA 130.871 3.669 . . . . 0.0 117.073 174.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -57.74 -173.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 124.843 3.695 . . . . 0.0 116.719 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.3 -28.48 2.01 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.617 1.567 . . . . 0.0 114.637 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -57.46 -45.56 84.65 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.333 -0.855 . . . . 0.0 112.961 169.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.46 -49.62 64.27 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.358 1.435 . . . . 0.0 109.896 171.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 49.7 m -57.41 -43.5 83.8 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 118.858 0.754 . . . . 0.0 111.252 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -63.71 -37.68 88.25 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.563 0.745 . . . . 0.0 112.387 173.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.31 -47.17 93.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.617 1.099 . . . . 0.0 111.492 171.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -43.98 94.28 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 119.647 1.112 . . . . 0.0 110.843 -179.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.06 -56.59 20.11 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.892 0.877 . . . . 0.0 110.487 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.57 -52.52 59.49 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.361 1.064 . . . . 0.0 112.066 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -65.76 -27.07 68.03 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.01 -37.98 95.32 Favored Glycine 0 CA--C 1.534 1.273 0 O-C-N 121.181 -0.949 . . . . 0.0 112.879 168.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -67.53 -40.67 85.04 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 117.96 0.88 . . . . 0.0 111.212 169.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 97.0 t -60.1 -48.25 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.227 1.011 . . . . 0.0 112.392 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 35.7 -119.21 0.41 Allowed Glycine 0 CA--C 1.54 1.641 0 C-N-CA 125.064 1.316 . . . . 0.0 114.977 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.09 -25.31 66.16 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -68.32 -14.51 63.05 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.465 1.106 . . . . 0.0 113.14 178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.16 -49.0 4.9 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.911 1.285 . . . . 0.0 114.014 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.13 -32.03 66.02 Favored Glycine 0 C--N 1.339 0.715 0 CA-C-O 118.785 -1.008 . . . . 0.0 113.69 -177.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -41.67 96.95 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.446 1.123 . . . . 0.0 109.952 172.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -67.24 -39.86 86.22 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 120.794 -1.191 . . . . 0.0 113.015 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.65 -48.26 85.52 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-N 118.717 0.689 . . . . 0.0 112.201 172.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.65 -51.65 67.9 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.244 1.018 . . . . 0.0 111.685 176.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.08 -25.21 66.12 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.83 0.852 . . . . 0.0 112.935 179.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.81 -43.42 58.85 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.405 1.002 . . . . 0.0 111.787 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 27.6 mt -58.71 -47.79 83.34 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.762 0.825 . . . . 0.0 111.061 174.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -59.65 -48.32 82.12 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 119.202 -0.427 . . . . 0.0 111.57 177.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.31 -47.23 69.43 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.912 0.885 . . . . 0.0 113.006 172.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 39.6 ttp -59.03 -42.83 91.13 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.472 0.578 . . . . 0.0 112.029 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -59.29 -56.01 27.52 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.868 0.758 . . . . 0.0 111.794 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' D' ' 125' ' ' PRO . 4.0 pp -73.05 -23.79 60.62 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -174.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 83.9 p -82.65 -29.5 29.97 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.829 1.195 . . . . 0.0 113.592 172.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -140.4 67.54 31.43 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 126.185 1.794 . . . . 0.0 110.87 -175.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -61.57 -22.29 74.09 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.933 2.422 . . . . 0.0 114.194 -171.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 7.7 p -55.58 -33.05 63.55 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.355 1.462 . . . . 0.0 113.397 168.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 3.8 t -56.29 -30.65 62.79 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.445 1.098 . . . . 0.0 113.701 174.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -59.59 -31.1 69.14 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.213 1.405 . . . . 0.0 113.048 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 4.0 t -61.1 -24.3 66.14 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' TYR . . . . . 0.544 ' CE1' ' HA ' ' C' ' 93' ' ' VAL . 0.1 OUTLIER -66.35 -15.2 63.08 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 174.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -146.48 84.33 7.83 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 124.332 1.053 . . . . 0.0 111.84 175.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -73.98 44.36 0.97 Allowed 'Trans proline' 0 CA--C 1.554 1.499 1 C-N-CA 125.401 4.067 . . . . 0.0 114.268 -174.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -160.64 91.21 0.89 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.798 2.439 . . . . 0.0 108.349 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -176.71 116.2 0.11 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.985 1.314 . . . . 0.0 110.293 167.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . 0.487 ' HB2' HE22 ' C' ' 54' ' ' GLN . 7.2 m-20 -70.09 121.19 17.0 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.281 -0.887 . . . . 0.0 109.677 164.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 61.6 mt -106.72 25.81 10.78 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.6 1.16 . . . . 0.0 112.143 -175.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 75.1 p -57.05 153.39 11.53 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.61 1.164 . . . . 0.0 112.305 175.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -59.43 122.21 13.41 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.642 -0.661 . . . . 0.0 110.638 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.96 18.41 72.49 Favored Glycine 0 CA--C 1.541 1.702 0 CA-C-O 118.803 -0.999 . . . . 0.0 114.969 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -47.06 123.07 4.93 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.017 1.408 . . . . 0.0 113.623 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.6 -18.03 61.35 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.329 1.052 . . . . 0.0 113.624 175.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . 0.487 HE22 ' HB2' ' C' ' 47' ' ' ASP . 0.0 OUTLIER -89.61 -41.66 11.84 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.437 1.017 . . . . 0.0 111.708 173.464 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.01 -38.46 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 O-C-N 121.459 -0.776 . . . . 0.0 111.547 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -41.69 97.94 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 119.445 1.02 . . . . 0.0 113.507 171.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.44 -42.35 49.01 Favored Glycine 0 N--CA 1.474 1.21 0 C-N-CA 124.006 0.812 . . . . 0.0 112.357 -177.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -61.49 -44.26 97.4 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.891 -0.77 . . . . 0.0 110.783 168.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -49.82 -52.84 24.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 121.13 -0.981 . . . . 0.0 113.668 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -55.62 -35.6 66.06 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 118.802 1.301 . . . . 0.0 112.946 174.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -70.97 -49.71 42.45 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.568 1.147 . . . . 0.0 113.602 174.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 49.1 t -54.74 -40.95 53.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 O-C-N 120.909 -1.119 . . . . 0.0 110.653 171.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.42 -50.15 74.73 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 173.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -34.67 75.17 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 120.217 1.371 . . . . 0.0 111.775 177.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.75 98.02 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 170.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.59 -43.2 97.65 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 118.02 -0.99 . . . . 0.0 111.213 171.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 27.7 m -56.33 -49.14 75.2 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 120.58 1.536 . . . . 0.0 111.91 170.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -29.69 70.15 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.578 1.535 . . . . 0.0 112.534 178.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.58 -50.48 51.4 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 118.954 0.797 . . . . 0.0 110.98 170.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 83.9 t -58.05 -43.23 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 120.005 1.275 . . . . 0.0 111.382 177.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.05 -24.64 68.0 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.883 1.273 . . . . 0.0 113.735 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -138.86 34.01 2.18 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 124.289 1.035 . . . . 0.0 111.227 -173.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . 0.632 HG23 HD13 ' C' ' 2' ' ' LEU . 5.9 p -57.62 -20.42 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 O-C-N 120.628 -1.295 . . . . 0.0 113.644 -167.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -111.48 -0.73 16.13 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.54 1.536 . . . . 0.0 114.253 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.71 23.05 5.03 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 129.475 3.11 . . . . 0.0 110.18 -172.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -108.81 29.4 0.07 OUTLIER Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 125.842 1.657 . . . . 0.0 114.737 -178.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -64.62 -22.79 64.38 Favored 'Trans proline' 0 C--N 1.356 0.964 0 CA-C-N 123.613 2.326 . . . . 0.0 113.248 -174.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.91 6.41 2.42 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.354 1.462 . . . . 0.0 113.5 175.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.19 -27.29 66.27 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.186 -1.571 . . . . 0.0 113.17 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 28.5 mt -92.83 5.24 51.94 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.181 0.992 . . . . 0.0 112.002 173.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 41.0 m -60.73 -36.99 80.25 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.166 1.348 . . . . 0.0 113.792 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.32 70.28 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.956 1.253 . . . . 0.0 112.339 173.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.88 -44.49 48.6 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.779 0.831 . . . . 0.0 110.02 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 4.7 t -54.52 -44.01 72.39 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.309 0.504 . . . . 0.0 111.579 172.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -60.26 -42.22 94.87 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.606 -1.309 . . . . 0.0 112.565 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tp -59.19 -59.17 5.88 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.653 -1.279 . . . . 0.0 111.377 170.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -69.95 -28.41 65.54 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.201 -0.937 . . . . 0.0 113.264 -174.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.19 -14.1 18.64 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.628 1.571 . . . . 0.0 114.105 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -125.02 -48.92 1.73 Allowed 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.663 1.12 . . . . 0.0 113.59 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -67.87 -34.61 77.01 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 119.915 1.234 . . . . 0.0 112.26 174.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 20.9 mt -118.86 -26.15 6.12 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . 0.444 ' HE ' ' HA ' ' B' ' 40' ' ' ARG 0.324 1.4 mtt-85 41.93 53.42 4.15 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 127.792 2.437 . . . . 0.0 114.093 -170.753 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . 0.544 ' HA ' ' CE1' ' C' ' 42' ' ' TYR . 71.6 t -77.11 125.96 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 127.271 2.228 . . . . 0.0 112.269 177.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -51.54 125.57 28.06 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 125.399 1.48 . . . . 0.0 110.941 164.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -39.4 -24.07 0.1 Allowed 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 124.761 3.641 . . . . 0.0 116.796 168.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 7.6 p -46.0 -41.99 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 120.576 1.535 . . . . 0.0 113.158 171.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -65.38 -33.87 76.98 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.237 -0.914 . . . . 0.0 112.511 177.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -56.0 -47.53 77.59 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 119.272 0.942 . . . . 0.0 109.083 171.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -55.94 -43.44 77.46 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.876 0.762 . . . . 0.0 110.336 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.02 -55.05 29.03 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.216 1.006 . . . . 0.0 110.975 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 23.2 tp -56.27 -43.24 78.58 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.454 0.702 . . . . 0.0 112.572 175.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 43.7 t -66.5 -44.5 82.43 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.393 1.477 . . . . 0.0 112.832 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -56.88 -46.99 81.49 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.597 -0.69 . . . . 0.0 111.293 169.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 74.7 m -65.6 -33.84 76.83 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.73 -51.1 69.74 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 119.682 1.128 . . . . 0.0 110.93 167.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 31.6 mt -52.66 -40.67 63.09 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.226 1.375 . . . . 0.0 112.167 175.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 34.3 t -60.85 -53.13 53.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 118.807 -0.616 . . . . 0.0 112.449 171.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 40.3 p -68.58 -42.19 78.63 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.707 1.14 . . . . 0.0 112.449 -175.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -55.25 -61.7 2.16 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 118.181 -0.914 . . . . 0.0 108.867 170.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -50.74 -38.86 50.09 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.88 1.218 . . . . 0.0 112.921 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.27 -23.17 57.4 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 117.553 2.427 . . . . 0.0 117.553 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -126.97 -41.43 1.8 Allowed 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.626 1.103 . . . . 0.0 113.1 -173.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.68 122.95 83.2 Favored Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 168.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 114' ' ' PRO . . . . . 0.423 ' C ' ' H ' ' C' ' 116' ' ' GLU . 88.0 Cg_endo -70.87 75.68 1.65 Allowed 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.178 2.585 . . . . 0.0 110.237 171.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.77 10.2 0.22 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.928 1.291 . . . . 0.0 112.657 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . 0.423 ' H ' ' C ' ' C' ' 114' ' ' PRO . 41.2 mm-40 42.69 25.64 0.05 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.657 2.383 . . . . 0.0 113.162 -164.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 21.1 p90 39.02 14.52 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.831 2.452 . . . . 0.0 116.517 -162.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.78 155.19 83.47 Favored Pre-proline 0 N--CA 1.471 0.594 0 CA-C-N 120.053 1.297 . . . . 0.0 111.963 -161.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 119' ' ' PRO . . . . . 0.455 ' HA ' HG23 ' D' ' 33' ' ' VAL . 63.5 Cg_endo -63.0 -45.77 12.01 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 121.26 1.307 . . . . 0.0 110.907 175.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.65 -24.85 67.13 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 120.916 -1.115 . . . . 0.0 113.465 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 47.8 t -87.04 -37.25 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 CA-C-N 119.922 1.237 . . . . 0.0 112.662 178.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -67.11 -35.55 80.01 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.045 -1.66 . . . . 0.0 111.451 169.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.86 -53.65 55.85 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.335 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 54.0 p -58.67 -46.99 85.98 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 113.35 0.871 . . . . 0.0 113.35 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.4 -44.19 95.41 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.519 -0.753 . . . . 0.0 111.812 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -64.98 -56.59 12.28 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 120.198 1.363 . . . . 0.0 111.878 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -33.32 70.34 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.057 0.39 . . . . 0.0 111.417 -177.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -66.93 -54.56 20.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 118.446 -0.787 . . . . 0.0 111.268 174.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -37.33 70.82 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.717 0.69 . . . . 0.0 111.114 177.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.25 -30.61 71.23 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 171.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 32.3 m -81.37 -36.97 28.97 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.386 -1.446 . . . . 0.0 112.448 171.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 47.4 t -52.45 -50.81 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 119.452 1.024 . . . . 0.0 108.732 169.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 84.0 p -63.78 -48.84 75.29 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 117.007 -1.473 . . . . 0.0 112.98 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 52.5 m -51.56 -38.07 52.57 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 121.072 1.76 . . . . 0.0 112.217 177.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 58.8 t -71.08 -48.9 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 O-C-N 121.052 -1.03 . . . . 0.0 111.22 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -3.16 2.04 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.012 1.325 . . . . 0.0 114.486 177.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 44.2 p -126.33 3.33 7.03 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.295 2.238 . . . . 0.0 111.343 176.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 CA--C 1.534 0.362 0 C-N-CA 125.157 1.383 . . . . 0.0 111.505 171.681 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.29 2.2 p . . . . . 0 N--CA 1.516 2.85 0 CA-C-O 118.057 -0.973 . . . . 0.0 113.025 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 35.68 80.69 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 127.681 2.392 . . . . 0.0 116.103 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 159.03 16.0 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 121.227 -0.921 . . . . 0.0 112.053 177.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.47 141.86 93.73 Favored Pre-proline 0 N--CA 1.478 0.97 0 CA-C-O 117.919 -1.039 . . . . 0.0 109.633 168.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -47.69 -43.85 27.56 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 124.486 3.457 . . . . 0.0 116.35 -175.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.53 -39.99 94.78 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.348 -0.845 . . . . 0.0 112.461 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.76 -44.26 67.1 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 118.403 -0.808 . . . . 0.0 110.594 176.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -47.9 65.37 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.534 1.134 . . . . 0.0 111.469 169.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 14.8 t -55.51 -52.04 65.0 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.881 0.764 . . . . 0.0 110.828 173.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.16 -49.76 73.08 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 11' ' ' VAL . . . . . 0.527 HG21 ' CZ ' ' D' ' 130' ' ' TYR . 2.6 p -65.69 -55.41 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 119.547 1.067 . . . . 0.0 111.786 175.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -68.12 -36.14 79.25 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.938 0.79 . . . . 0.0 111.712 -169.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.58 94.12 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.978 0.808 . . . . 0.0 111.701 175.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . 0.421 ' HA ' ' HE3' ' D' ' 17' ' ' LYS . 0.8 OUTLIER -66.59 -39.35 88.37 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.639 -0.663 . . . . 0.0 110.51 173.603 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -21.95 57.68 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 166.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.14 -37.12 43.74 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.216 0.912 . . . . 0.0 113.047 174.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . 0.421 ' HE3' ' HA ' ' D' ' 14' ' ' LEU . 6.0 ptpt -87.97 -21.68 24.72 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 118.021 0.91 . . . . 0.0 113.347 175.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.97 135.67 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 124.579 1.152 . . . . 0.0 111.826 -173.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.16 87.0 7.18 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 95.6 t -53.91 -35.05 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 CA-C-N 119.683 1.129 . . . . 0.0 113.778 -167.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -63.04 -50.8 69.24 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.196 0.998 . . . . 0.0 112.68 172.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -86.45 -45.97 10.64 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.256 -0.902 . . . . 0.0 111.314 -170.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -32.58 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 119.099 0.863 . . . . 0.0 110.852 169.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.88 -45.25 17.13 Favored Glycine 0 C--N 1.34 0.764 0 CA-C-N 119.102 0.865 . . . . 0.0 111.982 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.46 -41.86 99.17 Favored Glycine 0 N--CA 1.467 0.725 0 CA-C-N 118.587 1.194 . . . . 0.0 112.642 170.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.73 -49.65 75.85 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.406 169.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' ALA . . . . . 0.48 ' HA ' HG13 ' D' ' 113' ' ' VAL . . . -74.68 -48.39 26.36 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 121.023 1.738 . . . . 0.0 114.833 -173.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 44.3 tp -63.06 -46.76 85.98 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 117.599 -1.191 . . . . 0.0 109.174 172.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . 0.41 ' O ' HG11 ' D' ' 33' ' ' VAL . . . -48.26 -55.52 10.38 Favored Glycine 0 C--N 1.336 0.569 0 CA-C-N 119.591 1.087 . . . . 0.0 111.612 171.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' ARG . . . . . 0.561 ' HA ' HG22 ' D' ' 33' ' ' VAL . 0.0 OUTLIER -47.03 -43.56 19.75 Favored 'General case' 0 C--O 1.215 -0.715 0 C-N-CA 126.949 2.1 . . . . 0.0 111.37 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 tp -49.97 -49.79 49.1 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.628 1.558 . . . . 0.0 110.065 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . 0.475 ' HG ' HD11 ' D' ' 48' ' ' LEU . 1.9 mm? -68.95 -32.37 71.93 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.123 0.969 . . . . 0.0 111.641 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' VAL . . . . . 0.561 HG22 ' HA ' ' D' ' 30' ' ' ARG . 0.9 OUTLIER -70.47 17.79 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.34 1.056 . . . . 0.0 113.19 164.56 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' VAL . . . . . 0.447 HG21 ' O ' ' D' ' 30' ' ' ARG . 2.4 t -111.49 17.48 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 O-C-N 119.243 -2.161 . . . . 0.0 111.168 166.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 2.8 t80 46.22 49.38 6.61 Favored Pre-proline 0 CA--C 1.554 1.132 0 O-C-N 120.876 -1.14 . . . . 0.0 112.22 -170.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -79.04 142.93 17.58 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 121.606 1.537 . . . . 0.0 109.302 -173.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -26.02 45.75 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.79 1.236 . . . . 0.0 113.039 172.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 23.1 p -57.06 -20.69 26.29 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 171.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -48.8 -26.81 2.58 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.25 1.02 . . . . 0.0 113.472 170.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . 0.441 ' HA ' ' HE ' ' A' ' 92' ' ' ARG . 5.5 ptm180 -51.18 -31.97 21.86 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 121.092 1.769 . . . . 0.0 115.304 170.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.47 10.57 31.83 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.955 0.902 . . . . 0.0 112.31 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -14.58 20.77 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 175.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -45.49 -31.57 1.82 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.613 1.165 . . . . 0.0 112.683 173.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -96.17 -31.12 13.13 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 170.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -61.42 -27.81 68.81 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 120.816 1.644 . . . . 0.0 113.182 173.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.19 179.13 7.5 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 123.98 0.8 . . . . 0.0 113.842 -177.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 33.34 -108.17 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.396 1.878 . . . . 0.0 111.796 -167.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 48' ' ' LEU . . . . . 0.475 HD11 ' HG ' ' D' ' 32' ' ' LEU . 8.9 tt 59.26 -18.92 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.611 2.365 . . . . 0.0 117.169 176.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 14.9 m -50.2 -21.64 1.41 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.456 1.902 . . . . 0.0 114.904 -175.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 50' ' ' THR . . . . . 0.518 ' HG1' ' H ' ' D' ' 53' ' ' ALA . 4.7 p -132.64 158.03 76.79 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 125.691 1.596 . . . . 0.0 109.705 164.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.42 -46.5 31.11 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.803 2.335 . . . . 0.0 112.651 170.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -59.35 -41.56 89.48 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.215 -0.928 . . . . 0.0 112.232 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 53' ' ' ALA . . . . . 0.518 ' H ' ' HG1' ' D' ' 50' ' ' THR . . . -60.08 -37.51 80.13 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.077 0.551 . . . . 0.0 111.943 176.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.7 -36.7 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-N 119.995 1.27 . . . . 0.0 113.122 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -31.99 68.64 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.102 0.865 . . . . 0.0 112.725 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.63 -6.56 62.3 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.446 1.022 . . . . 0.0 115.477 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -65.67 120.91 72.43 Favored Pre-proline 0 CA--C 1.548 0.897 0 CA-C-N 119.147 1.474 . . . . 0.0 112.394 -175.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -60.63 -32.41 93.28 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.394 2.73 . . . . 0.0 113.634 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.51 -33.38 66.87 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.617 -1.302 . . . . 0.0 112.888 173.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.11 -36.13 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 119.95 1.25 . . . . 0.0 111.021 171.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -59.91 -52.12 66.8 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.127 0.876 . . . . 0.0 111.868 167.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.84 97.8 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.06 -37.33 78.46 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.41 -1.431 . . . . 0.0 110.973 172.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.43 -45.55 75.57 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 126.981 2.229 . . . . 0.0 113.894 171.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -57.09 -43.52 82.26 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.692 0.797 . . . . 0.0 112.353 169.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -53.59 34.34 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.769 0.827 . . . . 0.0 112.297 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.19 -43.47 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 119.154 0.888 . . . . 0.0 111.75 174.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . 0.4 HD21 ' O ' ' D' ' 68' ' ' LEU . 5.1 tt -72.57 -36.51 68.21 Favored 'General case' 0 C--O 1.224 -0.241 0 O-C-N 120.852 -1.155 . . . . 0.0 113.107 177.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.58 -35.66 45.91 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 125.054 1.312 . . . . 0.0 112.454 170.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.37 -45.93 68.18 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 117.987 0.893 . . . . 0.0 112.451 169.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -58.5 -39.52 80.28 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.189 -1.569 . . . . 0.0 112.976 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 88.7 p -73.65 -39.85 64.18 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.637 -1.29 . . . . 0.0 113.299 175.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -54.53 -32.51 58.36 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.422 1.01 . . . . 0.0 111.361 164.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.92 -63.21 5.28 Favored Glycine 0 C--N 1.339 0.74 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 172.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mt -55.72 -21.44 18.69 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.55 -27.55 31.56 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.385 1.474 . . . . 0.0 114.505 171.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -147.53 52.09 1.06 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.044 1.737 . . . . 0.0 112.791 -171.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.43 -20.3 64.37 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 120.373 -1.454 . . . . 0.0 114.25 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -82.37 -9.09 59.59 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.196 1.798 . . . . 0.0 113.775 172.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -130.92 29.12 4.76 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.378 1.871 . . . . 0.0 112.134 -172.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 83.1 mt -58.23 -17.3 18.15 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.88 -0.06 29.58 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 120.385 1.448 . . . . 0.0 113.709 174.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.09 -33.34 4.33 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.276 1.417 . . . . 0.0 114.188 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.15 -16.73 21.32 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.132 0.973 . . . . 0.0 113.305 175.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -107.0 3.45 26.03 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.843 0.857 . . . . 0.0 113.162 -169.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.23 -34.53 72.3 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -175.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 4.1 p -65.88 -42.12 90.72 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 120.995 -1.066 . . . . 0.0 111.855 169.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 19.2 mt -69.71 -38.36 76.9 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 123.447 0.699 . . . . 0.0 111.947 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -67.19 -40.45 86.52 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 120.2 1.364 . . . . 0.0 111.647 176.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -61.32 -42.06 98.04 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.313 0.645 . . . . 0.0 112.083 172.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 31.1 tp -57.29 -60.12 4.1 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.056 -1.028 . . . . 0.0 111.797 170.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -74.38 18.74 0.14 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.103 1.361 . . . . 0.0 114.076 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 48.8 t -131.54 -87.63 0.47 Allowed 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.164 1.386 . . . . 0.0 108.904 164.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.65 -19.91 29.85 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.729 1.752 . . . . 0.0 115.729 -170.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.16 -42.17 6.81 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.901 0.88 . . . . 0.0 112.58 169.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.55 67.71 1.12 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.3 1.84 . . . . 0.0 111.973 -173.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 97' ' ' HIS . . . . . 0.603 ' H ' ' CD2' ' D' ' 97' ' ' HIS . 0.0 OUTLIER -59.8 32.99 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 128.455 2.702 . . . . 0.0 114.802 162.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 2.0 m -47.22 146.01 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 120.506 -1.371 . . . . 0.0 111.267 167.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.19 138.95 65.86 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 123.807 0.843 . . . . 0.0 111.596 -174.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -50.84 -34.23 44.3 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.127 2.551 . . . . 0.0 115.395 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -50.79 -36.06 35.09 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.811 -1.181 . . . . 0.0 112.724 173.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -65.76 -35.88 81.97 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 118.288 -0.863 . . . . 0.0 113.237 177.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 103' ' ' PHE . . . . . 0.427 ' CD1' ' CB ' ' D' ' 138' ' ' ALA . 0.1 OUTLIER -56.66 -48.2 78.12 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.544 1.065 . . . . 0.0 109.096 168.839 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 104' ' ' ARG . . . . . 0.416 ' N ' ' CD1' ' D' ' 103' ' ' PHE . 20.0 ttm-85 -66.3 -44.92 82.12 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-O 118.597 -0.716 . . . . 0.0 109.344 -171.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 7.0 mp -53.74 -44.57 70.04 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.983 0.913 . . . . 0.0 112.188 173.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.34 -48.01 79.78 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.933 1.242 . . . . 0.0 111.149 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.05 -53.32 41.0 Favored Glycine 0 CA--C 1.536 1.372 0 O-C-N 121.551 -0.718 . . . . 0.0 114.326 173.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -56.12 -36.79 68.62 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.39 1.876 . . . . 0.0 112.403 174.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.3 -42.18 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 O-C-N 120.709 -1.244 . . . . 0.0 111.917 176.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 47.7 tp -56.43 -50.12 72.59 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.28 0.632 . . . . 0.0 109.891 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 111' ' ' VAL . . . . . 0.484 HG22 HE22 ' D' ' 131' ' ' GLN . 26.4 m -57.54 -33.27 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 176.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 97.2 m -67.28 -39.16 86.01 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.26 0.937 . . . . 0.0 112.249 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 113' ' ' VAL . . . . . 0.48 HG13 ' HA ' ' D' ' 27' ' ' ALA . 0.2 OUTLIER -68.84 -43.77 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 O-C-N 120.801 -1.187 . . . . 0.0 112.004 178.33 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -41.61 97.73 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.86 1.209 . . . . 0.0 109.734 175.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.14 -37.13 66.55 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 118.782 -0.628 . . . . 0.0 112.53 173.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -73.0 -58.84 3.03 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.997 0.817 . . . . 0.0 112.937 174.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -67.49 -22.97 65.43 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -173.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -124.24 39.48 3.96 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.336 1.854 . . . . 0.0 110.546 176.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -49.87 163.2 0.72 Allowed Glycine 0 CA--C 1.541 1.664 0 C-N-CA 123.593 0.616 . . . . 0.0 111.844 157.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt 61.72 -24.02 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 126.143 1.777 . . . . 0.0 115.342 -158.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -117.16 -3.56 11.5 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.521 1.128 . . . . 0.0 113.419 -175.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -68.53 39.5 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 127.958 2.503 . . . . 0.0 115.054 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.51 144.51 1.72 Allowed Pre-proline 0 N--CA 1.486 1.346 0 O-C-N 120.682 -1.262 . . . . 0.0 113.324 -166.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -46.09 -50.5 9.84 Favored 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 122.453 2.102 . . . . 0.0 115.633 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 125' ' ' PRO . . . . . 0.447 ' HA ' HD12 ' C' ' 34' ' ' LEU . 26.3 Cg_endo -63.94 -24.23 67.58 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.48 2.12 . . . . 0.0 115.595 172.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -43.58 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-N 120.934 1.697 . . . . 0.0 112.364 179.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -69.58 -38.83 77.53 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 120.207 1.367 . . . . 0.0 112.413 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 128' ' ' ALA . . . . . 0.409 ' HB2' HD11 ' C' ' 34' ' ' LEU . . . -60.7 -41.91 96.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.412 1.006 . . . . 0.0 111.611 172.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.57 -48.9 79.38 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.89 0.876 . . . . 0.0 111.098 176.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 130' ' ' TYR . . . . . 0.527 ' CZ ' HG21 ' D' ' 11' ' ' VAL . 33.5 m-85 -55.58 -49.99 71.29 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 118.625 -0.702 . . . . 0.0 112.027 168.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 131' ' ' GLN . . . . . 0.484 HE22 HG22 ' D' ' 111' ' ' VAL . 1.2 mp0 -54.58 -37.31 65.36 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.883 1.219 . . . . 0.0 113.294 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -67.9 -42.15 81.59 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.75 1.614 . . . . 0.0 112.63 176.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 35.7 m -72.54 -36.88 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 CA-C-N 119.652 1.114 . . . . 0.0 112.788 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 32.2 t -62.28 -49.52 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 125.979 1.712 . . . . 0.0 110.706 172.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.29 -50.15 75.1 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.98 0.912 . . . . 0.0 110.885 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.88 -52.41 51.18 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-N 118.706 0.684 . . . . 0.0 113.045 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.44 -41.77 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 118.389 1.094 . . . . 0.0 110.532 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 138' ' ' ALA . . . . . 0.427 ' CB ' ' CD1' ' D' ' 103' ' ' PHE . . . -72.75 -36.74 67.77 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -60.43 -32.62 71.53 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 119.394 0.997 . . . . 0.0 110.903 168.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.91 -37.99 72.96 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 169.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 7.4 mt -64.65 -37.21 86.8 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.271 -1.518 . . . . 0.0 111.274 173.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.55 -8.63 35.65 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.584 1.154 . . . . 0.0 113.656 168.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -66.75 -26.62 67.07 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 119.519 -1.988 . . . . 0.0 113.884 -173.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -80.29 -17.75 51.24 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 121.143 -0.973 . . . . 0.0 113.255 168.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.15 -22.86 22.63 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.93 2.092 . . . . 0.0 113.066 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.256 1.421 0 C-N-CA 128.942 2.897 . . . . 0.0 117.1 -172.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.269 5.8 p . . . . . 0 N--CA 1.508 2.453 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 58.0 mt -136.35 -172.42 3.14 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 120.556 1.525 . . . . 0.0 112.698 -174.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.46 158.75 60.52 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 126.908 2.083 . . . . 0.0 112.511 -173.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.05 -30.1 9.28 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.018 2.479 . . . . 0.0 113.55 -173.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.2 -33.13 56.37 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.641 -0.662 . . . . 0.0 112.573 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.66 -41.21 79.62 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.409 -0.807 . . . . 0.0 112.818 -173.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -58.2 -45.38 87.68 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-O 118.184 -0.912 . . . . 0.0 111.676 171.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.0 m -57.45 -45.83 84.29 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 120.046 1.294 . . . . 0.0 111.912 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -66.61 -39.7 88.48 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -73.65 -37.97 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-O 118.297 -0.859 . . . . 0.0 111.728 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 mptm? -55.87 -48.38 75.67 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.151 1.341 . . . . 0.0 110.879 169.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.13 -52.47 65.18 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.373 0.669 . . . . 0.0 111.454 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.0 -48.91 77.34 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -63.99 -30.34 71.43 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.15 -43.71 95.11 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.664 1.126 . . . . 0.0 113.317 171.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -66.17 -37.06 84.72 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 118.215 1.008 . . . . 0.0 111.764 172.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.1 -49.78 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 124.885 1.274 . . . . 0.0 112.821 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.71 -145.51 6.51 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 123.919 0.771 . . . . 0.0 114.535 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.38 -22.91 55.47 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -67.09 -7.98 27.19 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 174.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.33 -43.09 10.55 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.719 1.208 . . . . 0.0 114.003 174.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.09 -37.26 92.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 121.977 -0.452 . . . . 0.0 113.478 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -44.53 82.67 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.295 1.038 . . . . 0.0 111.113 174.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.48 -39.88 95.61 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.166 0.587 . . . . 0.0 112.029 175.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.05 -59.65 10.47 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.208 0.909 . . . . 0.0 111.658 170.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.25 -53.43 43.9 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.572 1.149 . . . . 0.0 112.942 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -61.3 -35.59 77.76 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.417 0.687 . . . . 0.0 112.193 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.421 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -60.74 -40.39 92.23 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 118.887 0.767 . . . . 0.0 111.955 175.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.482 ' CD1' ' HD1' ' A' ' 58' ' ' HIS . 5.3 mt -65.83 -45.71 81.26 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 118.392 0.542 . . . . 0.0 111.127 178.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -57.06 -42.62 80.92 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.921 0.888 . . . . 0.0 110.023 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -44.64 93.44 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-O 117.013 -1.47 . . . . 0.0 111.536 174.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.6 mtm -57.04 -51.25 70.01 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 119.787 1.176 . . . . 0.0 112.173 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.51 -48.8 71.47 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.443 0.697 . . . . 0.0 110.371 -178.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.9 mt -71.34 -40.16 70.87 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.034 0.534 . . . . 0.0 111.789 -177.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.2 p -82.59 -30.7 29.39 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -172.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -142.86 66.85 17.65 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 125.312 1.445 . . . . 0.0 109.508 -167.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -48.11 -26.87 8.38 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 124.879 3.719 . . . . 0.0 116.057 -169.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -37.48 -44.53 0.66 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 127.307 2.243 . . . . 0.0 113.22 166.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 t -58.08 -34.55 70.27 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -58.82 -22.26 58.26 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.185 1.394 . . . . 0.0 113.329 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -51.84 -28.78 16.95 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 173.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -57.98 -19.13 28.35 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 56.68 64.59 4.57 Favored Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 125.598 1.559 . . . . 0.0 112.387 -176.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -53.94 157.54 10.39 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.87 2.38 . . . . 0.0 113.585 173.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -79.67 1.42 26.44 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.04 177.59 5.99 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.439 1.496 . . . . 0.0 113.959 -168.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -118.82 154.05 33.49 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.602 1.961 . . . . 0.0 111.333 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.8 mt -116.23 23.32 12.23 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.474 1.11 . . . . 0.0 112.751 -161.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.7 m -65.34 21.3 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 128.839 2.855 . . . . 0.0 117.626 -166.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 m80 58.23 144.08 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 127.875 2.47 . . . . 0.0 113.991 -161.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.28 22.37 60.86 Favored Glycine 0 CA--C 1.542 1.725 0 O-C-N 121.345 -0.847 . . . . 0.0 115.182 -176.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.3 t -65.4 115.08 5.29 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.994 1.318 . . . . 0.0 113.493 -170.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.13 75.99 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.664 1.186 . . . . 0.0 113.5 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -62.64 -40.87 98.38 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.661 -0.649 . . . . 0.0 111.935 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.6 t -66.16 -35.04 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.308 0.643 . . . . 0.0 111.083 177.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -62.9 -51.58 66.41 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 119.594 1.088 . . . . 0.0 111.714 171.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.33 -42.65 99.83 Favored Glycine 0 N--CA 1.472 1.084 0 C-N-CA 123.798 0.714 . . . . 0.0 112.903 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.482 ' HD1' ' CD1' ' A' ' 29' ' ' LEU . 31.2 t-80 -63.64 -45.37 90.55 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.628 -0.924 . . . . 0.0 111.858 171.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.82 -45.92 69.0 Favored Glycine 0 CA--C 1.533 1.169 0 O-C-N 121.186 -0.946 . . . . 0.0 113.349 173.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -56.37 -43.98 79.71 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.586 1.154 . . . . 0.0 111.748 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -63.38 -47.45 82.0 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.049 0.939 . . . . 0.0 112.913 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.5 t -54.9 -44.84 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 118.969 0.804 . . . . 0.0 110.794 172.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.24 -47.06 84.06 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -59.71 -39.01 83.21 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.638 1.108 . . . . 0.0 112.156 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.8 -44.09 97.55 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 171.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.82 -39.58 89.53 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.334 -0.854 . . . . 0.0 111.793 172.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 85.3 m -59.54 -46.52 88.65 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 120.858 -1.151 . . . . 0.0 111.646 170.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -27.75 67.96 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.532 1.06 . . . . 0.0 112.353 177.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.63 -49.76 65.21 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 119.473 1.033 . . . . 0.0 110.721 166.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 76.4 t -55.36 -37.32 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 119.863 1.21 . . . . 0.0 111.915 176.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.61 -25.56 68.02 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 175.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -145.55 23.25 1.45 Allowed 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -163.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.1 p -60.61 -24.76 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 CA-C-N 122.234 2.288 . . . . 0.0 115.869 -157.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.4 -6.79 57.47 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.577 -1.327 . . . . 0.0 113.98 174.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -129.51 1.06 5.02 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 128.755 2.822 . . . . 0.0 112.811 -172.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -69.94 -9.93 0.17 Allowed Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 118.224 2.676 . . . . 0.0 118.224 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -38.71 -42.28 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 123.842 3.028 . . . . 0.0 116.869 176.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -101.26 -7.92 22.61 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 175.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.6 -22.84 56.55 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.424 -1.422 . . . . 0.0 112.951 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.6 mt -92.41 10.57 29.43 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.009 0.822 . . . . 0.0 113.039 170.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.3 m -56.94 -32.83 66.4 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 120.362 1.437 . . . . 0.0 114.237 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.75 -29.98 70.48 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 119.766 1.166 . . . . 0.0 112.894 171.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mt -82.72 -36.76 25.54 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.421 1.089 . . . . 0.0 111.203 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.2 t -59.7 -41.94 91.9 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 122.222 -0.298 . . . . 0.0 111.402 167.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.53 -47.81 84.53 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.564 1.146 . . . . 0.0 112.115 173.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tp -47.57 -52.53 17.34 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.3 0.955 . . . . 0.0 111.783 166.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -34.93 76.04 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.456 -0.778 . . . . 0.0 113.012 -174.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.61 -26.44 17.86 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -175.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -104.33 -10.59 17.69 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.155 1.382 . . . . 0.0 113.283 -174.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -124.01 -57.2 1.62 Allowed 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 116.843 -1.551 . . . . 0.0 115.067 -174.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 mp -136.46 -77.48 0.42 Allowed 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 116.383 -1.77 . . . . 0.0 114.28 175.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 147.39 68.91 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.466 0 C-N-CA 131.039 3.736 . . . . 0.0 113.199 175.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 73.2 t -38.04 110.95 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 C-N-CA 126.515 1.926 . . . . 0.0 112.784 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -67.01 123.61 86.67 Favored Pre-proline 0 CA--C 1.54 0.56 0 C-N-CA 122.849 0.46 . . . . 0.0 112.233 -172.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.94 -38.83 44.57 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.327 2.018 . . . . 0.0 112.193 -177.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 52.5 t -64.93 -31.64 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 119.871 -1.768 . . . . 0.0 111.768 176.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -65.25 -30.18 71.03 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.202 0.91 . . . . 0.0 112.209 173.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -47.01 82.02 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.434 1.016 . . . . 0.0 111.71 172.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -57.11 -37.06 71.42 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 118.919 0.781 . . . . 0.0 111.737 -177.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.1 mt -61.2 -59.37 5.42 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.798 0.839 . . . . 0.0 109.245 173.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -38.07 72.31 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.789 0.836 . . . . 0.0 112.345 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.6 t -57.2 -56.75 17.81 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.614 1.166 . . . . 0.0 112.515 171.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -30.53 71.57 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.097 -1.002 . . . . 0.0 111.379 178.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 79.7 m -69.54 -33.0 72.14 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 172.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 mt -69.75 -47.93 61.2 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 119.897 1.226 . . . . 0.0 110.841 169.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.5 mt -50.55 -40.99 53.44 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.572 -0.705 . . . . 0.0 111.611 171.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.403 HG23 ' HA ' ' B' ' 112' ' ' CYS . 4.0 t -57.35 -53.23 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 169.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.6 p -68.99 -30.86 69.36 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.454 1.024 . . . . 0.0 112.731 -177.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.6 -49.35 54.88 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.021 0.828 . . . . 0.0 110.5 173.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.47 -33.67 60.12 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 172.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.1 -9.3 45.25 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -131.3 -31.82 1.61 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -176.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.3 mp -83.34 173.01 8.1 Favored Pre-proline 0 CA--C 1.559 1.322 0 C-N-CA 124.379 1.072 . . . . 0.0 110.9 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -58.64 -138.9 0.0 OUTLIER 'Trans proline' 0 CA--C 1.552 1.391 1 C-N-CA 125.918 4.412 . . . . 0.0 114.857 167.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.88 39.51 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.695 1.998 . . . . 0.0 115.218 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -38.46 -28.95 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 130.46 3.504 . . . . 0.0 115.633 -176.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -71.97 8.39 1.25 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.925 2.09 . . . . 0.0 116.439 171.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.25 159.4 1.55 Allowed Pre-proline 0 N--CA 1.491 1.599 0 CA-C-N 121.361 1.891 . . . . 0.0 113.242 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -56.0 -44.68 44.8 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.103 1.868 . . . . 0.0 112.84 171.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.16 -59.75 3.76 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 119.31 -0.376 . . . . 0.0 110.288 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 24.5 t -68.05 -43.93 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 120.249 -1.532 . . . . 0.0 113.22 -171.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -69.73 -48.45 59.42 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 120.065 1.302 . . . . 0.0 112.358 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.06 84.88 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.853 1.206 . . . . 0.0 110.612 175.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.9 m -62.44 -51.76 66.24 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.49 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.85 -41.94 95.29 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 120.473 1.488 . . . . 0.0 112.809 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -58.32 -50.58 73.11 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 120.086 1.312 . . . . 0.0 111.848 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.35 -28.93 59.78 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -70.22 -46.12 65.14 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.565 1.075 . . . . 0.0 110.928 172.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.95 -37.19 81.5 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 120.243 -1.535 . . . . 0.0 110.523 172.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.18 -44.59 96.27 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 170.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 96.1 p -67.23 -40.39 86.34 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 120.598 1.545 . . . . 0.0 111.853 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 44.9 t -52.85 -49.19 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.613 1.165 . . . . 0.0 109.678 170.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.6 t -57.82 -54.58 45.26 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 172.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 96.8 m -51.53 -34.12 34.97 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.469 1.031 . . . . 0.0 112.303 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 58.9 t -79.45 -42.44 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 172.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.81 -32.65 65.93 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.182 -1.574 . . . . 0.0 112.744 173.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 44.4 p -97.48 -1.48 44.04 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.67 1.988 . . . . 0.0 112.787 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.473 0.718 0 CA-C-N 120.552 1.524 . . . . 0.0 113.756 177.404 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.312 2.4 p . . . . . 0 N--CA 1.514 2.744 0 CA-C-O 117.643 -1.17 . . . . 0.0 112.877 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 27.5 80.28 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 128.012 2.525 . . . . 0.0 116.475 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 mt -57.67 163.45 2.51 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.061 1.345 . . . . 0.0 111.962 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.36 156.4 81.32 Favored Pre-proline 0 N--CA 1.485 1.322 0 CA-C-O 118.489 -0.767 . . . . 0.0 109.577 161.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -56.93 -45.79 33.76 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.659 2.239 . . . . 0.0 114.767 175.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.71 -35.21 76.88 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.223 -0.923 . . . . 0.0 111.954 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -69.47 -40.62 76.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.09 0.956 . . . . 0.0 110.865 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.4 ' HA ' HG11 ' B' ' 11' ' ' VAL . 54.6 tttm -60.62 -45.1 95.29 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.046 1.339 . . . . 0.0 111.492 171.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.1 t -54.66 -48.09 72.76 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.933 0.493 . . . . 0.0 110.659 175.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.22 -53.27 60.23 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 175.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.445 HG21 ' CE2' ' B' ' 130' ' ' TYR . 6.6 p -65.21 -43.1 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 CA-C-N 119.787 1.176 . . . . 0.0 111.903 -176.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -76.85 -31.15 56.65 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.713 -0.617 . . . . 0.0 111.706 -175.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.49 -40.68 76.9 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.331 1.423 . . . . 0.0 112.504 170.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.06 -29.31 68.24 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.272 -0.892 . . . . 0.0 111.41 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -65.1 -45.02 86.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.29 0.636 . . . . 0.0 112.079 164.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.67 -35.77 58.02 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.183 1.373 . . . . 0.0 115.075 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -90.01 -10.45 44.89 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 174.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.74 135.61 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.032 0.933 . . . . 0.0 112.005 -169.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -83.02 80.67 8.97 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 46.6 t -49.95 -40.32 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 124.447 1.099 . . . . 0.0 113.727 -168.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -70.37 -35.88 73.81 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.89 0.876 . . . . 0.0 113.125 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -89.81 -49.82 6.4 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.312 -0.867 . . . . 0.0 111.346 -175.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.482 HG22 HG13 ' B' ' 113' ' ' VAL . 0.5 OUTLIER -59.52 -35.02 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 123.485 0.714 . . . . 0.0 111.002 169.2 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.43 -46.75 67.53 Favored Glycine 0 C--N 1.339 0.747 0 O-C-N 120.79 -1.194 . . . . 0.0 111.765 176.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.74 -44.18 95.96 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-N 117.51 0.655 . . . . 0.0 112.684 172.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -65.6 -34.92 79.37 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 124.003 0.921 . . . . 0.0 112.692 173.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.33 -54.74 24.48 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 120.718 1.599 . . . . 0.0 109.822 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 tp -68.62 -40.96 80.15 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.153 -174.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.404 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -49.42 -58.12 8.49 Favored Glycine 0 CA--C 1.528 0.844 0 CA-C-O 119.052 -0.86 . . . . 0.0 112.515 163.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 37.7 ttt-85 -49.93 -31.86 13.43 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 125.441 1.496 . . . . 0.0 114.15 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tt -79.59 -51.12 9.69 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.177 1.353 . . . . 0.0 112.137 171.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.417 ' HB3' HD12 ' B' ' 48' ' ' LEU . 6.3 mp -73.68 -14.38 61.14 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.373 -0.829 . . . . 0.0 111.881 -171.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.457 ' C ' ' H ' ' B' ' 35' ' ' TYR . 34.5 m -85.88 -12.31 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -65.31 11.58 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 CA-C-N 122.07 2.214 . . . . 0.0 113.296 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . 0.457 ' H ' ' C ' ' B' ' 33' ' ' VAL . 1.5 t80 36.54 41.24 0.23 Allowed Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 128.54 2.736 . . . . 0.0 114.413 -157.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -76.5 165.1 29.64 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 121.577 1.518 . . . . 0.0 110.061 -174.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 31.5 p90 -51.69 -30.45 22.13 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.266 -0.896 . . . . 0.0 112.261 166.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.63 -31.34 24.92 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.059 1.344 . . . . 0.0 114.081 172.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -59.59 -19.37 48.32 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.777 1.171 . . . . 0.0 113.21 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -62.87 -16.86 60.41 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 120.312 -1.492 . . . . 0.0 113.956 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.33 -1.21 57.9 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 172.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.526 ' HB2' HD13 ' B' ' 48' ' ' LEU . 1.6 p90 -62.79 -10.05 11.6 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 117.168 2.284 . . . . 0.0 117.168 -163.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -51.59 -26.35 8.61 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 176.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.416 ' O ' ' HE3' ' B' ' 59' ' ' LYS . 34.2 p -86.86 8.57 22.36 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.249 1.42 . . . . 0.0 114.622 174.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -115.33 -14.88 11.63 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.676 1.19 . . . . 0.0 113.822 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.29 -146.25 24.85 Favored Glycine 0 CA--C 1.536 1.368 0 CA-C-N 120.917 1.689 . . . . 0.0 112.904 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.62 117.93 3.76 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.647 0.779 . . . . 0.0 112.004 176.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.526 HD13 ' HB2' ' B' ' 42' ' ' PHE . 8.7 tt -153.83 -23.51 0.14 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -174.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 4.0 m -58.2 -8.1 1.01 Allowed 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -169.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' THR . . . . . 0.592 ' HG1' ' H ' ' B' ' 53' ' ' ALA . 34.1 p -142.55 163.6 37.94 Favored Pre-proline 0 N--CA 1.474 0.732 0 C-N-CA 127.573 2.349 . . . . 0.0 109.578 178.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -57.26 -49.25 14.48 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.074 1.849 . . . . 0.0 112.6 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.37 -38.54 84.23 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.912 0.885 . . . . 0.0 111.867 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.592 ' H ' ' HG1' ' B' ' 50' ' ' THR . . . -59.78 -60.62 3.54 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 122.867 0.467 . . . . 0.0 111.257 173.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 p -66.14 -39.02 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -171.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 44.0 mtt -77.72 -21.91 51.2 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -173.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.86 -19.6 19.17 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 124.357 0.979 . . . . 0.0 114.639 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.468 HD21 ' CG2' ' B' ' 60' ' ' VAL . 13.4 t30 -68.14 125.69 91.81 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 124.642 1.177 . . . . 0.0 113.811 -172.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -63.65 -39.07 36.98 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.136 2.558 . . . . 0.0 113.532 -171.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.416 ' HE3' ' O ' ' B' ' 44' ' ' SER . 44.1 tttp -63.96 -34.93 79.08 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.653 1.115 . . . . 0.0 113.102 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.468 ' CG2' HD21 ' B' ' 57' ' ' ASN . 63.3 t -65.18 -46.17 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.946 0.899 . . . . 0.0 110.7 169.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -64.49 -40.05 94.94 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.169 0.895 . . . . 0.0 112.252 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.88 -33.71 72.59 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.569 1.548 . . . . 0.0 114.044 175.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.2 -38.67 82.22 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.404 -1.435 . . . . 0.0 111.022 164.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.18 -51.06 32.1 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 125.165 1.364 . . . . 0.0 113.445 168.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -52.92 -40.55 63.66 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.329 1.452 . . . . 0.0 113.204 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -52.09 11.23 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.756 0.822 . . . . 0.0 112.473 -178.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 16.5 m -56.7 -40.78 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 CA-C-N 119.545 1.066 . . . . 0.0 111.433 174.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tt -84.51 -35.1 23.15 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.032 -1.043 . . . . 0.0 112.905 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.09 -40.19 82.33 Favored Glycine 0 CA--C 1.535 1.31 0 O-C-N 121.235 -0.916 . . . . 0.0 112.002 165.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.89 -46.54 74.59 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.837 -0.802 . . . . 0.0 112.859 170.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.409 ' CD2' HD23 ' B' ' 110' ' ' LEU . 51.3 m-85 -54.27 -33.62 59.03 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 121.147 1.794 . . . . 0.0 112.528 170.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -41.19 74.95 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 170.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -55.01 -33.3 62.5 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.799 1.181 . . . . 0.0 111.697 169.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.14 -63.72 4.92 Favored Glycine 0 C--N 1.339 0.729 0 CA-C-O 119.275 -0.736 . . . . 0.0 111.38 166.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.5 mt -53.14 -22.08 5.85 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.2 -25.5 25.61 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.726 1.61 . . . . 0.0 114.886 174.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -144.34 43.96 1.41 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.631 1.572 . . . . 0.0 112.824 -170.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.54 -18.76 32.04 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.43 -38.37 71.5 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.241 1.416 . . . . 0.0 114.084 176.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -158.04 90.65 1.07 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.967 0.907 . . . . 0.0 112.706 177.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.8 mt -65.55 -27.07 68.17 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -67.36 4.28 1.03 Allowed 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 -174.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -122.01 -42.02 0.46 Allowed Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.736 1.636 . . . . 0.0 112.999 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' THR . . . . . 0.412 ' HG1' ' HD1' ' B' ' 85' ' ' PHE . 5.7 p -71.11 -24.84 62.37 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.382 1.091 . . . . 0.0 113.562 173.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . 0.412 ' HD1' ' HG1' ' B' ' 84' ' ' THR . 47.8 m-85 -106.37 -3.52 20.99 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.45 -41.28 65.95 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 120.212 1.369 . . . . 0.0 114.51 -171.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 14.9 p -64.94 -34.59 78.77 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.371 1.068 . . . . 0.0 112.695 173.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 43.4 mt -74.49 -37.38 63.18 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.534 1.134 . . . . 0.0 111.286 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -60.98 -44.61 97.13 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.457 1.026 . . . . 0.0 111.017 169.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -60.17 -38.86 84.46 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.666 0.786 . . . . 0.0 112.01 171.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.1 tp -69.4 -57.54 5.15 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.211 -0.93 . . . . 0.0 111.809 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -73.52 -12.54 60.81 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -176.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 79.4 m -109.72 -90.51 0.47 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.126 0.971 . . . . 0.0 110.5 167.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -51.7 -34.59 39.36 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -166.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -86.92 -53.31 4.97 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.306 1.042 . . . . 0.0 113.627 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 51.6 mt -105.48 -33.24 8.19 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.061 1.344 . . . . 0.0 113.176 -170.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 42.04 30.84 0.2 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 128.039 2.536 . . . . 0.0 115.516 -174.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -57.8 145.99 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 121.284 -0.885 . . . . 0.0 110.687 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.4 ' HB3' HG22 ' C' ' 96' ' ' VAL . 23.2 m-20 -58.66 130.66 85.43 Favored Pre-proline 0 CA--C 1.547 0.855 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -160.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -62.85 -37.46 54.91 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 122.53 2.153 . . . . 0.0 114.367 -164.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.81 -28.04 5.82 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 120.404 -1.435 . . . . 0.0 114.364 171.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.84 -34.86 76.72 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.18 -0.95 . . . . 0.0 112.114 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -64.45 -40.91 96.62 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.776 1.625 . . . . 0.0 111.053 175.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -63.41 -47.14 83.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.035 0.534 . . . . 0.0 109.698 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 96.8 mt -56.08 -49.16 74.58 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.92 174.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.66 -43.32 97.77 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.608 1.095 . . . . 0.0 110.859 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.99 -56.03 27.38 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.262 0.934 . . . . 0.0 113.91 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.91 -40.36 88.58 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.212 1.006 . . . . 0.0 111.086 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 14.3 t -59.91 -42.47 89.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 118.421 -0.8 . . . . 0.0 112.443 175.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.409 HD23 ' CD2' ' B' ' 71' ' ' PHE . 6.9 tp -57.0 -52.98 63.11 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 118.722 0.692 . . . . 0.0 110.809 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -54.93 -39.55 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 118.473 0.578 . . . . 0.0 109.809 -177.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . 0.403 ' HA ' HG23 ' A' ' 107' ' ' VAL . 11.0 t -73.18 -33.12 65.25 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 178.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . 0.482 HG13 HG22 ' B' ' 23' ' ' VAL . 1.9 p -61.94 -37.26 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 121.291 1.86 . . . . 0.0 111.747 171.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 mt -63.89 -35.93 82.25 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.812 -0.555 . . . . 0.0 110.073 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.33 -34.02 74.02 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 170.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -59.01 -60.33 4.05 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 120.641 1.564 . . . . 0.0 110.268 168.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -71.22 -26.27 62.86 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -167.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -130.34 40.47 3.52 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.609 1.164 . . . . 0.0 112.381 -176.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -55.55 -5.34 0.79 Allowed Glycine 0 CA--C 1.541 1.69 0 C-N-CA 126.505 2.002 . . . . 0.0 117.328 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -84.96 -21.71 29.46 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.833 1.317 . . . . 0.0 113.264 170.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -135.64 6.01 3.19 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.777 1.631 . . . . 0.0 113.17 -170.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -61.64 30.03 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 128.907 2.883 . . . . 0.0 116.98 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.664 ' HG1' ' H ' ' B' ' 126' ' ' VAL . 16.3 p -42.41 148.15 0.54 Allowed Pre-proline 0 N--CA 1.481 1.121 0 C-N-CA 125.74 1.616 . . . . 0.0 115.211 -167.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -43.93 -46.75 10.64 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 122.591 2.194 . . . . 0.0 114.633 172.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.6 -32.58 18.96 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.724 1.616 . . . . 0.0 114.773 173.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . 0.664 ' H ' ' HG1' ' B' ' 123' ' ' THR . 0.5 OUTLIER -67.53 -39.56 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-N 122.25 2.296 . . . . 0.0 112.061 177.189 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -63.32 -41.58 98.92 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.286 0.634 . . . . 0.0 110.808 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.75 -41.1 96.16 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 173.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.18 -47.76 84.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 119.233 0.924 . . . . 0.0 111.962 172.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.445 ' CE2' HG21 ' B' ' 11' ' ' VAL . 10.8 m-85 -52.08 -50.33 61.78 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 118.865 -0.588 . . . . 0.0 111.026 167.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -57.14 -38.18 73.11 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.543 1.065 . . . . 0.0 113.357 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -72.31 -44.02 63.32 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.617 1.553 . . . . 0.0 112.268 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 23.0 m -63.1 -38.57 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 119.921 1.237 . . . . 0.0 110.992 172.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 22.4 t -61.12 -43.29 96.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 124.962 1.305 . . . . 0.0 111.849 172.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -70.08 -34.67 73.47 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.633 1.106 . . . . 0.0 112.477 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.05 -49.19 77.59 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 121.392 -0.818 . . . . 0.0 111.357 167.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 22.6 t -56.83 -46.07 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.755 0.822 . . . . 0.0 112.192 175.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -51.54 -54.89 22.64 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.533 1.133 . . . . 0.0 111.971 173.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -58.79 -39.85 82.31 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 176.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.34 -50.43 67.78 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.845 0.748 . . . . 0.0 112.321 177.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.68 -42.26 99.53 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.175 -0.953 . . . . 0.0 111.47 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.75 -11.52 37.32 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -62.71 -18.44 62.49 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 120.563 1.529 . . . . 0.0 114.264 -173.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -87.08 1.55 52.59 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.31 1.444 . . . . 0.0 113.906 171.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.555 1.172 0 C-N-CA 125.929 1.692 . . . . 0.0 114.768 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.269 5.7 p . . . . . 0 N--CA 1.508 2.464 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 57.7 mt -136.33 -172.48 3.15 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.499 1.5 . . . . 0.0 112.724 -174.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.39 158.68 60.59 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 126.902 2.081 . . . . 0.0 112.467 -172.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.02 -30.01 9.44 Favored 'Trans proline' 0 CA--C 1.537 0.637 0 C-N-CA 123.047 2.498 . . . . 0.0 113.616 -173.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.32 -33.03 55.62 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.643 -0.661 . . . . 0.0 112.547 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.69 -41.24 79.45 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.338 -0.851 . . . . 0.0 112.686 -173.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -58.26 -45.33 88.03 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 118.069 -0.967 . . . . 0.0 111.683 171.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 40.2 m -57.41 -45.86 84.14 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 120.08 1.309 . . . . 0.0 111.951 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -66.74 -39.63 88.01 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 178.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 58.0 t -73.62 -38.13 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.727 177.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -55.81 -48.29 75.67 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 120.181 1.355 . . . . 0.0 110.936 169.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.25 -52.36 65.66 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.233 0.613 . . . . 0.0 111.397 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.13 -48.8 77.76 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -64.09 -30.19 71.28 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.39 -43.66 94.6 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.733 1.159 . . . . 0.0 113.239 171.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -66.07 -37.13 85.04 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 118.288 1.044 . . . . 0.0 111.749 172.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.13 -49.79 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 124.915 1.286 . . . . 0.0 112.706 177.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.57 -145.44 6.36 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 123.947 0.784 . . . . 0.0 114.572 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.37 -22.8 54.94 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -67.28 -7.8 27.05 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 174.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.54 -43.02 11.54 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.769 1.227 . . . . 0.0 113.853 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.11 -37.18 92.83 Favored Glycine 0 CA--C 1.528 0.857 0 O-C-N 122.024 -0.422 . . . . 0.0 113.591 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -44.61 82.7 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.293 1.037 . . . . 0.0 111.081 174.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -63.58 -39.78 95.26 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.167 0.587 . . . . 0.0 112.035 175.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.97 -59.69 10.4 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 124.289 0.947 . . . . 0.0 111.621 169.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.47 -53.28 47.75 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.58 1.152 . . . . 0.0 112.903 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -61.23 -35.74 78.04 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 123.497 0.719 . . . . 0.0 112.166 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . 0.426 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -60.57 -40.58 92.2 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 118.939 0.79 . . . . 0.0 111.971 175.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . 0.482 ' CD1' ' HD1' ' C' ' 58' ' ' HIS . 5.3 mt -65.77 -45.61 81.87 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.345 0.521 . . . . 0.0 111.045 178.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -57.21 -42.48 81.39 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.944 0.898 . . . . 0.0 109.961 177.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -44.59 93.82 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 117.045 -1.455 . . . . 0.0 111.529 174.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 45.2 mtm -56.99 -51.4 69.36 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 119.751 1.159 . . . . 0.0 112.262 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.33 -49.06 70.61 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.596 0.758 . . . . 0.0 110.363 -178.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 41.0 mt -71.0 -40.54 71.76 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.26 0.624 . . . . 0.0 111.835 -177.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 93.2 p -82.2 -30.88 30.64 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -172.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -142.8 66.9 17.99 Favored Pre-proline 0 CA--C 1.542 0.635 0 C-N-CA 125.329 1.452 . . . . 0.0 109.598 -167.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -48.28 -26.92 8.93 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 124.918 3.745 . . . . 0.0 116.002 -169.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -37.16 -44.58 0.57 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 127.362 2.265 . . . . 0.0 113.291 166.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 5.0 t -58.12 -34.48 70.28 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -178.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -58.88 -22.38 59.16 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.363 1.465 . . . . 0.0 113.33 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -51.87 -28.65 16.76 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 173.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -57.99 -19.26 29.45 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 56.71 64.52 4.61 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 125.468 1.507 . . . . 0.0 112.562 -176.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -53.84 157.65 9.93 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 C-N-CA 122.897 2.398 . . . . 0.0 113.518 173.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -79.8 1.37 27.07 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -124.95 177.54 5.99 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.455 1.502 . . . . 0.0 114.014 -168.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -118.67 154.12 33.23 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.65 1.98 . . . . 0.0 111.327 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 20.4 mt -116.19 23.27 12.28 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.502 1.121 . . . . 0.0 112.8 -161.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 16.8 m -65.3 21.21 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 128.943 2.897 . . . . 0.0 117.539 -166.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 m80 58.16 144.0 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.934 2.494 . . . . 0.0 114.044 -160.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.4 22.44 61.23 Favored Glycine 0 CA--C 1.543 1.798 0 O-C-N 121.264 -0.897 . . . . 0.0 115.024 -176.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 48.1 t -65.46 115.06 5.31 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.017 1.327 . . . . 0.0 113.56 -170.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -40.26 76.1 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.733 1.213 . . . . 0.0 113.437 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -62.51 -41.02 98.56 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.655 -0.653 . . . . 0.0 111.888 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 41.2 t -65.99 -35.21 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 123.332 0.653 . . . . 0.0 111.111 177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -62.78 -51.65 66.25 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 119.596 1.089 . . . . 0.0 111.634 171.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.38 -42.66 99.83 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 123.974 0.797 . . . . 0.0 112.818 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . 0.482 ' HD1' ' CD1' ' C' ' 29' ' ' LEU . 31.5 t-80 -63.74 -45.31 90.46 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.694 -0.886 . . . . 0.0 111.897 171.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.75 -45.9 68.42 Favored Glycine 0 CA--C 1.534 1.226 0 O-C-N 121.178 -0.951 . . . . 0.0 113.375 173.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -56.55 -43.83 80.29 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.564 1.146 . . . . 0.0 111.699 172.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -63.44 -47.49 81.66 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.003 0.921 . . . . 0.0 112.86 175.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 91.7 t -54.84 -44.94 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 119.043 0.838 . . . . 0.0 110.757 172.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.02 84.71 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 176.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -59.88 -39.04 83.96 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.654 1.116 . . . . 0.0 112.119 175.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.25 97.37 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 170.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -39.47 88.6 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.422 -0.799 . . . . 0.0 111.849 172.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 85.1 m -59.58 -46.64 88.32 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.873 -1.142 . . . . 0.0 111.566 170.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -27.81 68.07 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.545 1.066 . . . . 0.0 112.455 177.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.57 -49.76 65.32 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 119.489 1.041 . . . . 0.0 110.758 166.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 77.4 t -55.32 -37.38 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 119.961 1.255 . . . . 0.0 111.833 176.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.75 -25.38 67.9 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -145.41 22.64 1.49 Allowed 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -163.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 3.1 p -60.34 -24.64 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 CA-C-N 122.264 2.302 . . . . 0.0 115.946 -156.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.61 -6.71 57.35 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 120.558 -1.339 . . . . 0.0 113.999 174.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -129.59 1.16 4.98 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 128.777 2.831 . . . . 0.0 112.804 -172.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -69.81 -10.2 0.18 Allowed Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 118.203 2.668 . . . . 0.0 118.203 -178.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -38.74 -41.97 1.78 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 123.712 2.942 . . . . 0.0 117.002 176.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -101.47 -7.93 22.41 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 175.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.55 -22.8 56.73 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.398 -1.439 . . . . 0.0 113.11 175.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 17.6 mt -92.48 10.59 29.52 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 118.917 0.78 . . . . 0.0 112.954 170.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 39.0 m -56.88 -32.76 66.17 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.454 1.479 . . . . 0.0 114.218 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.78 -30.11 70.58 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 119.749 1.159 . . . . 0.0 112.891 171.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.3 mt -82.56 -36.79 25.94 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.597 1.159 . . . . 0.0 111.208 177.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 17.6 t -59.82 -41.95 92.43 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 122.196 -0.315 . . . . 0.0 111.341 167.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.5 -47.82 84.48 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.495 1.118 . . . . 0.0 112.11 173.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 tp -47.7 -52.43 18.38 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.144 0.884 . . . . 0.0 111.741 166.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -34.93 76.07 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -174.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.75 -26.28 17.81 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -175.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -104.46 -10.59 17.58 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.14 1.376 . . . . 0.0 113.251 -174.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -123.97 -57.24 1.62 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -174.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 1.5 mp -136.51 -77.54 0.42 Allowed 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 116.258 -1.829 . . . . 0.0 114.282 175.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 147.52 69.02 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 130.992 3.717 . . . . 0.0 113.012 175.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 72.6 t -38.12 110.93 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 C-N-CA 126.592 1.957 . . . . 0.0 112.803 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -66.93 123.81 87.1 Favored Pre-proline 0 CA--C 1.54 0.587 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -172.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -63.25 -38.73 42.47 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.307 2.005 . . . . 0.0 112.156 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 96' ' ' VAL . . . . . 0.4 HG22 ' HB3' ' B' ' 99' ' ' ASP . 53.1 t -64.91 -31.56 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 119.946 -1.721 . . . . 0.0 111.75 176.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -65.43 -30.07 70.83 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.226 0.921 . . . . 0.0 112.272 173.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -46.83 82.54 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.407 1.003 . . . . 0.0 111.786 172.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -57.2 -36.82 71.32 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.926 0.785 . . . . 0.0 111.811 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.42 -59.29 5.48 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.764 0.826 . . . . 0.0 109.274 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -38.24 72.28 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.829 0.852 . . . . 0.0 112.38 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 29.3 t -57.16 -57.14 13.91 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.686 1.194 . . . . 0.0 112.346 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -30.09 71.14 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.332 -0.855 . . . . 0.0 111.324 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 104' ' ' CYS . . . . . 0.426 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 78.8 m -69.81 -32.61 71.15 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 172.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.07 -48.01 59.58 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 119.862 1.21 . . . . 0.0 110.876 169.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 6.6 mt -50.3 -41.05 50.28 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.667 -0.646 . . . . 0.0 111.708 171.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . 0.407 HG23 ' HA ' ' D' ' 112' ' ' CYS . 4.0 t -57.41 -53.18 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 169.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 4.3 p -69.02 -30.81 69.25 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.359 0.981 . . . . 0.0 112.742 -177.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.55 -49.41 54.63 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.944 0.793 . . . . 0.0 110.569 173.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.63 -33.18 60.18 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 172.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.5 -9.12 46.91 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 176.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -131.51 -31.72 1.57 Allowed 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -176.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 9.3 mp -83.4 172.99 8.11 Favored Pre-proline 0 CA--C 1.56 1.341 0 C-N-CA 124.308 1.043 . . . . 0.0 110.904 176.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -58.71 -138.89 0.0 OUTLIER 'Trans proline' 0 CA--C 1.55 1.32 1 C-N-CA 125.817 4.345 . . . . 0.0 114.926 167.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.76 39.32 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.706 2.003 . . . . 0.0 115.222 175.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -38.43 -28.89 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 130.369 3.468 . . . . 0.0 115.679 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -72.0 8.52 1.22 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.721 2.008 . . . . 0.0 116.414 171.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.24 159.4 1.55 Allowed Pre-proline 0 N--CA 1.493 1.717 0 CA-C-N 121.478 1.944 . . . . 0.0 113.197 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -56.05 -44.59 45.48 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 122.059 1.839 . . . . 0.0 112.86 171.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.16 -59.64 3.88 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 119.366 -0.349 . . . . 0.0 110.353 174.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 24.4 t -68.16 -43.88 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 120.321 -1.487 . . . . 0.0 113.184 -171.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -69.8 -48.49 58.94 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 120.024 1.284 . . . . 0.0 112.323 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.47 -43.36 84.0 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 119.852 1.205 . . . . 0.0 110.616 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 54.6 m -62.34 -51.85 66.01 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.468 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.8 -42.0 95.36 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 120.537 1.517 . . . . 0.0 112.757 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.35 -50.48 73.51 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 120.091 1.314 . . . . 0.0 111.816 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 -29.1 59.87 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -70.16 -46.14 65.31 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.576 1.08 . . . . 0.0 110.896 172.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.99 -37.13 81.42 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.396 -1.44 . . . . 0.0 110.413 172.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.55 96.34 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.817 1.044 . . . . 0.0 113.817 171.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 95.3 p -67.38 -40.48 85.72 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 120.413 1.461 . . . . 0.0 111.891 176.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 45.5 t -52.57 -49.37 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.641 1.177 . . . . 0.0 109.701 169.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 30.6 t -57.83 -54.58 45.25 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 172.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 96.9 m -51.38 -34.3 33.68 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.471 1.032 . . . . 0.0 112.247 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 58.1 t -79.37 -42.58 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 123.715 0.806 . . . . 0.0 112.961 173.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -32.49 66.01 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.129 -1.607 . . . . 0.0 112.794 173.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 44.5 p -97.57 -1.37 44.04 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.658 1.983 . . . . 0.0 112.724 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 N--CA 1.472 0.636 0 CA-C-N 120.609 1.55 . . . . 0.0 113.81 177.397 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.314 2.4 p . . . . . 0 N--CA 1.514 2.738 0 CA-C-O 117.571 -1.204 . . . . 0.0 112.964 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 27.57 80.07 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 127.851 2.46 . . . . 0.0 116.585 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 mt -57.5 163.44 2.39 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.037 1.335 . . . . 0.0 111.961 174.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.31 156.45 81.44 Favored Pre-proline 0 N--CA 1.485 1.283 0 CA-C-O 118.453 -0.784 . . . . 0.0 109.5 161.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -57.05 -45.83 33.13 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 122.661 2.241 . . . . 0.0 114.754 175.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.58 -35.33 77.23 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.294 -0.879 . . . . 0.0 111.986 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -69.3 -40.85 77.45 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.263 1.025 . . . . 0.0 111.022 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . 0.407 ' HA ' HG11 ' D' ' 11' ' ' VAL . 54.4 tttm -60.45 -45.19 94.57 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.879 1.272 . . . . 0.0 111.587 171.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 34.0 t -54.47 -48.06 72.24 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 122.924 0.49 . . . . 0.0 110.764 175.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.25 -53.11 62.02 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 11' ' ' VAL . . . . . 0.441 HG21 ' CE2' ' D' ' 130' ' ' TYR . 6.3 p -65.59 -42.82 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 119.865 1.211 . . . . 0.0 111.781 -176.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -76.8 -31.32 56.88 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 118.414 0.552 . . . . 0.0 111.752 -175.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.4 -40.84 77.11 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.48 -1.387 . . . . 0.0 112.585 171.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tt -67.72 -29.5 68.75 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.159 -0.963 . . . . 0.0 111.635 173.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -64.95 -45.17 86.85 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.374 0.669 . . . . 0.0 112.08 164.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.6 -35.83 57.79 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.381 1.467 . . . . 0.0 115.007 -176.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -89.91 -10.59 44.61 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 174.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.75 135.67 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 123.917 0.887 . . . . 0.0 111.955 -169.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -83.01 80.96 8.88 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 172.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 46.7 t -50.22 -40.27 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 124.452 1.101 . . . . 0.0 113.653 -168.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.32 -35.56 73.72 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.867 0.867 . . . . 0.0 113.245 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -90.3 -49.68 6.4 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.36 -0.837 . . . . 0.0 111.311 -175.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . 0.483 HG23 HG12 ' D' ' 113' ' ' VAL . 0.5 OUTLIER -59.64 -35.1 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 123.559 0.744 . . . . 0.0 110.843 169.053 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.18 -46.95 67.15 Favored Glycine 0 N--CA 1.468 0.773 0 CA-C-N 119.934 1.243 . . . . 0.0 111.695 176.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.61 -44.13 95.76 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 117.573 0.686 . . . . 0.0 112.744 172.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -65.75 -34.76 78.92 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 124.104 0.962 . . . . 0.0 112.671 174.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.59 -54.54 26.36 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.57 1.532 . . . . 0.0 109.925 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 tp -68.65 -40.87 80.03 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.17 -174.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.33 -58.67 7.79 Favored Glycine 0 N--CA 1.469 0.845 0 CA-C-O 119.031 -0.871 . . . . 0.0 112.421 163.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 -49.44 -31.92 10.8 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.587 1.555 . . . . 0.0 114.185 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tt -79.72 -51.07 9.67 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.251 1.387 . . . . 0.0 112.028 171.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . 0.418 ' HB3' HD12 ' D' ' 48' ' ' LEU . 6.3 mp -73.66 -14.58 61.18 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.399 -0.813 . . . . 0.0 111.842 -171.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' VAL . . . . . 0.459 ' C ' ' H ' ' D' ' 35' ' ' TYR . 34.9 m -85.67 -12.19 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -65.47 11.7 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 CA-C-N 122.13 2.241 . . . . 0.0 113.246 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' TYR . . . . . 0.459 ' H ' ' C ' ' D' ' 33' ' ' VAL . 1.5 t80 36.47 41.37 0.24 Allowed Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 128.554 2.742 . . . . 0.0 114.401 -157.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -76.52 165.04 29.71 Favored 'Trans proline' 0 C--N 1.357 1.026 0 C-N-CA 121.62 1.547 . . . . 0.0 109.968 -174.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 31.7 p90 -51.62 -30.24 20.61 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.233 -0.917 . . . . 0.0 112.349 166.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -31.32 27.9 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.993 1.317 . . . . 0.0 114.057 172.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -59.41 -19.53 47.94 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.823 1.192 . . . . 0.0 113.237 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -62.88 -16.85 60.43 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 120.328 -1.482 . . . . 0.0 113.884 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.32 -1.29 57.94 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 172.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 42' ' ' PHE . . . . . 0.541 ' HB2' HD13 ' D' ' 48' ' ' LEU . 1.6 p90 -62.91 -9.9 11.48 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 117.081 2.252 . . . . 0.0 117.081 -163.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -51.7 -26.3 9.03 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 44' ' ' SER . . . . . 0.42 ' O ' ' HE3' ' D' ' 59' ' ' LYS . 34.0 p -86.74 8.47 22.49 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.278 1.431 . . . . 0.0 114.688 174.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -115.35 -14.97 11.6 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.639 1.175 . . . . 0.0 113.815 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.3 -146.27 24.85 Favored Glycine 0 CA--C 1.535 1.322 0 CA-C-N 120.709 1.595 . . . . 0.0 112.865 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.61 117.79 3.65 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.692 0.797 . . . . 0.0 112.04 176.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 48' ' ' LEU . . . . . 0.541 HD13 ' HB2' ' D' ' 42' ' ' PHE . 8.7 tt -153.63 -23.55 0.14 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -174.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 4.0 m -58.32 -7.91 1.0 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 116.38 1.992 . . . . 0.0 116.38 -169.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 50' ' ' THR . . . . . 0.594 ' HG1' ' H ' ' D' ' 53' ' ' ALA . 34.4 p -142.8 163.68 36.95 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 127.561 2.345 . . . . 0.0 109.453 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -57.36 -49.26 14.28 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 121.973 1.782 . . . . 0.0 112.649 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.38 -38.51 84.15 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.9 0.88 . . . . 0.0 111.958 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 53' ' ' ALA . . . . . 0.594 ' H ' ' HG1' ' D' ' 50' ' ' THR . . . -59.67 -60.72 3.38 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.88 0.472 . . . . 0.0 111.284 173.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 1.3 p -66.14 -39.01 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -171.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 44.2 mtt -77.62 -22.0 51.42 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -173.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.63 -19.73 19.31 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.364 0.983 . . . . 0.0 114.481 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 57' ' ' ASN . . . . . 0.473 HD21 ' CG2' ' D' ' 60' ' ' VAL . 13.1 t30 -68.14 125.73 91.85 Favored Pre-proline 0 CA--C 1.548 0.893 0 CA-C-N 118.57 1.185 . . . . 0.0 113.835 -172.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.75 -38.91 37.02 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.079 2.519 . . . . 0.0 113.61 -171.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 59' ' ' LYS . . . . . 0.42 ' HE3' ' O ' ' D' ' 44' ' ' SER . 44.0 tttp -63.99 -35.0 79.28 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.621 1.101 . . . . 0.0 113.146 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 60' ' ' VAL . . . . . 0.473 ' CG2' HD21 ' D' ' 57' ' ' ASN . 64.6 t -64.96 -46.37 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.914 0.885 . . . . 0.0 110.695 169.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -64.31 -40.03 95.11 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 119.171 0.896 . . . . 0.0 112.42 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.9 -33.6 72.4 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.435 1.494 . . . . 0.0 114.203 175.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.13 -38.72 82.52 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.472 -1.392 . . . . 0.0 111.165 164.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.13 -51.04 31.92 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.205 1.383 . . . . 0.0 113.416 168.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -52.94 -40.5 63.7 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.297 1.439 . . . . 0.0 113.232 171.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -51.95 11.5 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.715 0.806 . . . . 0.0 112.473 -178.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 16.7 m -56.87 -40.58 72.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 CA-C-N 119.533 1.06 . . . . 0.0 111.389 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tt -84.73 -35.1 22.7 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.964 -1.085 . . . . 0.0 112.756 -175.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.09 -40.39 82.96 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 121.424 -0.798 . . . . 0.0 111.852 165.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.73 -46.57 75.02 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 117.835 0.818 . . . . 0.0 112.986 170.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . 0.415 ' CD2' HD22 ' D' ' 110' ' ' LEU . 51.4 m-85 -54.23 -33.69 58.95 Favored 'General case' 0 CA--C 1.556 1.194 0 CA-C-N 121.002 1.728 . . . . 0.0 112.586 170.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -41.18 75.26 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 170.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -55.21 -33.15 62.82 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.748 1.158 . . . . 0.0 111.72 169.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.07 -63.96 4.71 Favored Glycine 0 C--N 1.338 0.676 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 166.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.5 mt -53.08 -21.97 5.42 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.18 -25.59 25.59 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.821 1.648 . . . . 0.0 114.93 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -144.29 44.01 1.42 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.537 1.535 . . . . 0.0 112.902 -170.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.64 -18.64 32.24 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.36 -38.56 71.57 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.212 1.405 . . . . 0.0 114.085 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -157.97 90.76 1.08 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.928 0.891 . . . . 0.0 112.77 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 71.4 mt -65.55 -27.06 68.17 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -67.33 4.34 1.0 Allowed 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -174.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -122.0 -42.23 0.45 Allowed Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.738 1.637 . . . . 0.0 112.98 176.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 5.8 p -70.96 -24.97 62.52 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.352 1.076 . . . . 0.0 113.481 173.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -106.19 -3.72 21.05 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.42 -41.18 65.76 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 120.099 1.318 . . . . 0.0 114.522 -171.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 15.0 p -64.89 -34.61 78.79 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.325 1.05 . . . . 0.0 112.788 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 43.3 mt -74.35 -37.6 63.46 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.455 1.102 . . . . 0.0 111.286 175.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -60.8 -44.68 96.54 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.391 0.996 . . . . 0.0 111.045 170.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -60.22 -38.77 84.4 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.621 0.768 . . . . 0.0 111.971 171.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 15.1 tp -69.36 -57.52 5.19 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.087 -1.008 . . . . 0.0 111.87 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -73.7 -12.44 60.73 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -176.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 78.4 m -109.7 -90.35 0.47 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.032 0.933 . . . . 0.0 110.538 167.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -51.7 -34.61 39.44 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 116.196 1.925 . . . . 0.0 116.196 -167.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -87.02 -53.24 4.98 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.381 1.072 . . . . 0.0 113.77 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 52.4 mt -105.44 -33.24 8.2 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.067 1.347 . . . . 0.0 113.223 -170.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 41.94 31.02 0.2 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 128.152 2.581 . . . . 0.0 115.437 -174.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -57.72 145.85 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 O-C-N 121.267 -0.896 . . . . 0.0 110.772 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -58.57 130.6 85.09 Favored Pre-proline 0 CA--C 1.549 0.927 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -160.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.73 -37.45 56.35 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 122.572 2.182 . . . . 0.0 114.354 -164.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.97 -27.9 6.06 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.369 -1.457 . . . . 0.0 114.381 171.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.9 -34.97 77.01 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.147 -0.971 . . . . 0.0 112.06 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -64.25 -41.19 97.06 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.791 1.632 . . . . 0.0 111.065 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -63.3 -47.1 83.68 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.973 0.509 . . . . 0.0 109.819 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 96.8 mt -56.03 -49.25 74.22 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.826 174.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -43.37 98.15 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.566 1.075 . . . . 0.0 110.74 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.67 -56.21 26.33 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 124.217 0.913 . . . . 0.0 113.986 176.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.91 -40.35 88.51 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.179 0.99 . . . . 0.0 111.036 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 13.7 t -59.89 -42.51 89.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 118.499 -0.762 . . . . 0.0 112.512 175.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . 0.415 HD22 ' CD2' ' D' ' 71' ' ' PHE . 6.9 tp -57.16 -52.57 64.76 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 118.608 0.64 . . . . 0.0 110.637 177.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.33 -39.09 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 CA-C-N 118.575 0.625 . . . . 0.0 109.826 -177.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 112' ' ' CYS . . . . . 0.407 ' HA ' HG23 ' C' ' 107' ' ' VAL . 10.6 t -73.05 -33.33 65.63 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 177.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 113' ' ' VAL . . . . . 0.483 HG12 HG23 ' D' ' 23' ' ' VAL . 1.6 p -61.67 -37.6 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 121.136 1.789 . . . . 0.0 111.719 171.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 mt -64.11 -35.75 81.77 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.922 -0.486 . . . . 0.0 110.076 177.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.19 -34.26 74.63 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 170.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -59.15 -60.31 4.06 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 120.413 1.461 . . . . 0.0 110.198 168.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -71.09 -26.22 62.95 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -167.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -130.55 40.57 3.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.468 1.107 . . . . 0.0 112.271 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -55.5 -5.21 0.74 Allowed Glycine 0 CA--C 1.541 1.659 0 C-N-CA 126.369 1.938 . . . . 0.0 117.41 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -85.28 -21.72 28.89 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.732 1.266 . . . . 0.0 113.117 170.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -135.64 6.13 3.2 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.792 1.637 . . . . 0.0 113.174 -170.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -61.62 29.99 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 128.974 2.91 . . . . 0.0 117.027 176.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 123' ' ' THR . . . . . 0.662 ' HG1' ' H ' ' D' ' 126' ' ' VAL . 16.2 p -42.31 147.9 0.55 Allowed Pre-proline 0 N--CA 1.482 1.136 0 C-N-CA 125.836 1.654 . . . . 0.0 115.263 -167.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -43.62 -46.89 9.94 Favored 'Trans proline' 0 CA--C 1.547 1.162 0 C-N-CA 122.687 2.258 . . . . 0.0 114.64 171.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.45 -32.91 18.91 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 121.706 1.604 . . . . 0.0 114.745 173.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 126' ' ' VAL . . . . . 0.662 ' H ' ' HG1' ' D' ' 123' ' ' THR . 0.5 OUTLIER -67.33 -39.57 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 122.288 2.313 . . . . 0.0 112.093 177.311 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -63.4 -41.56 98.75 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.261 0.624 . . . . 0.0 110.815 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.56 -41.21 96.47 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 173.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.36 -47.58 84.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 119.139 0.882 . . . . 0.0 111.959 172.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 130' ' ' TYR . . . . . 0.441 ' CE2' HG21 ' D' ' 11' ' ' VAL . 10.6 m-85 -52.19 -50.25 62.25 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 118.826 -0.607 . . . . 0.0 111.043 167.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -57.29 -37.93 73.19 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.4 1.0 . . . . 0.0 113.508 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -72.33 -44.03 63.24 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 120.473 1.488 . . . . 0.0 112.359 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 23.1 m -63.23 -38.54 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 CA-C-N 119.822 1.192 . . . . 0.0 111.051 172.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 22.5 t -61.08 -43.27 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.972 1.309 . . . . 0.0 111.955 172.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.99 -34.99 74.04 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.569 1.077 . . . . 0.0 112.407 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -61.89 -49.09 79.21 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 121.445 -0.785 . . . . 0.0 111.365 167.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 22.3 t -56.9 -46.17 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 123.732 0.813 . . . . 0.0 112.187 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -51.55 -54.71 24.58 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.356 1.063 . . . . 0.0 112.007 173.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -58.78 -39.97 82.61 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 176.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.44 -50.42 67.62 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.703 0.683 . . . . 0.0 112.331 177.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.59 -42.36 99.52 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.181 0.9 . . . . 0.0 111.549 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.45 -11.78 36.89 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -62.75 -18.26 62.3 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 120.423 1.465 . . . . 0.0 114.275 -173.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -87.29 1.78 52.18 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.324 1.45 . . . . 0.0 113.863 171.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -136.16 -18.16 1.56 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.858 1.663 . . . . 0.0 114.744 -177.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 79.2 m80 . . . . . 0 C--O 1.257 1.489 0 C-N-CA 128.354 2.662 . . . . 0.0 114.079 179.071 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.512 2.647 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mp -147.81 176.07 10.42 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 126.551 1.941 . . . . 0.0 111.408 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.76 151.48 71.09 Favored Pre-proline 0 N--CA 1.478 0.973 0 CA-C-N 119.289 0.95 . . . . 0.0 112.132 175.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -51.3 -43.12 51.12 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.162 3.241 . . . . 0.0 114.868 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.38 93.83 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.832 0.453 . . . . 0.0 111.457 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -58.08 -45.38 87.26 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 122.987 0.515 . . . . 0.0 110.805 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -58.92 -51.57 69.47 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.76 0.824 . . . . 0.0 109.956 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.1 m -57.13 -47.18 81.76 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.103 0.865 . . . . 0.0 112.041 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -61.83 -43.34 99.05 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.101 0.56 . . . . 0.0 111.606 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 36.5 t -63.25 -47.41 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.53 1.132 . . . . 0.0 112.217 175.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.64 -44.37 96.46 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.568 1.077 . . . . 0.0 111.07 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -52.21 66.59 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.113 0.565 . . . . 0.0 111.222 174.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.31 -52.36 63.72 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.0 0.92 . . . . 0.0 112.133 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -62.94 -29.24 70.64 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.661 0.785 . . . . 0.0 113.065 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.58 -41.91 99.66 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.494 1.045 . . . . 0.0 113.323 169.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -33.13 67.77 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.502 1.151 . . . . 0.0 111.898 172.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.84 -49.2 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 123.604 0.761 . . . . 0.0 111.489 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.48 -139.63 9.01 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 123.854 0.74 . . . . 0.0 113.844 -177.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.41 -21.13 59.5 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 114.468 1.285 . . . . 0.0 114.468 177.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -67.27 -10.25 48.81 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.35 -47.06 37.33 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.452 1.101 . . . . 0.0 113.501 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.27 -36.2 92.91 Favored Glycine 0 C--N 1.341 0.855 0 CA-C-O 119.742 -0.476 . . . . 0.0 113.169 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -62.27 -50.59 71.11 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.93 0.892 . . . . 0.0 110.451 172.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -63.98 -37.43 87.39 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 122.988 0.515 . . . . 0.0 111.977 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.52 -50.52 58.79 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 124.016 0.817 . . . . 0.0 112.814 172.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.36 -48.23 77.25 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.592 1.196 . . . . 0.0 111.568 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -62.26 -37.89 87.19 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.881 0.873 . . . . 0.0 112.851 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.03 -39.93 87.12 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 119.31 0.959 . . . . 0.0 111.964 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.4 mt -64.02 -51.05 66.03 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.978 0.911 . . . . 0.0 110.909 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.07 -50.11 73.77 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.678 0.391 . . . . 0.0 110.709 175.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -50.98 -48.6 61.13 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 117.832 -1.08 . . . . 0.0 111.732 173.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -55.62 -40.23 71.85 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.289 0.949 . . . . 0.0 112.938 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -66.4 -32.42 73.79 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.181 1.355 . . . . 0.0 114.292 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.91 -35.24 14.85 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 177.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.0 p -76.7 -34.72 58.15 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.41 1.084 . . . . 0.0 112.39 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.14 66.3 59.61 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.585 1.554 . . . . 0.0 109.506 -175.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -45.6 -28.48 4.38 Favored 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 124.534 3.49 . . . . 0.0 115.557 -171.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -41.27 -36.25 0.76 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.238 1.415 . . . . 0.0 113.804 170.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.6 p -65.45 -26.99 68.2 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 119.89 -1.756 . . . . 0.0 114.929 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -28.28 69.55 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 120.343 1.429 . . . . 0.0 112.143 168.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -23.23 67.24 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.328 1.051 . . . . 0.0 112.993 176.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -68.53 -7.81 35.73 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 173.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 t80 63.42 58.31 2.0 Allowed Pre-proline 0 CA--C 1.56 1.339 0 C-N-CA 124.97 1.308 . . . . 0.0 113.744 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -56.66 169.52 1.72 Allowed 'Trans proline' 0 CA--C 1.546 1.078 0 C-N-CA 123.943 3.095 . . . . 0.0 115.125 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -128.54 6.42 5.7 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.575 1.695 . . . . 0.0 115.575 -173.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -81.26 23.02 0.62 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -172.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.93 -39.91 0.27 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 128.362 2.665 . . . . 0.0 115.69 -173.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.0 mt 56.68 18.93 3.96 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 127.44 2.296 . . . . 0.0 114.911 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.9 m -70.38 20.99 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 127.484 2.314 . . . . 0.0 115.938 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 61.81 141.56 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 128.027 2.531 . . . . 0.0 113.723 -162.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.9 32.91 67.01 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.34 0.972 . . . . 0.0 114.612 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 t -53.24 121.23 7.14 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.574 1.15 . . . . 0.0 113.432 -172.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.17 -21.02 65.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.975 0.91 . . . . 0.0 113.17 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -80.83 -41.57 23.03 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.674 -0.641 . . . . 0.0 110.593 174.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.7 t -62.52 -43.88 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 O-C-N 121.446 -0.784 . . . . 0.0 111.964 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -61.5 -40.85 96.1 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 119.818 1.19 . . . . 0.0 112.512 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.66 -53.23 32.68 Favored Glycine 0 N--CA 1.47 0.924 0 C-N-CA 124.377 0.989 . . . . 0.0 111.583 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -52.24 -46.55 65.78 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.592 0.757 . . . . 0.0 111.481 172.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.11 -46.01 62.53 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.221 0.915 . . . . 0.0 114.282 173.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -37.36 78.39 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 119.205 1.502 . . . . 0.0 112.731 172.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -72.88 -42.92 63.12 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.603 0.761 . . . . 0.0 110.835 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.3 t -54.59 -47.09 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 119.346 0.976 . . . . 0.0 110.716 168.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.03 83.6 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -62.21 -38.31 88.64 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.967 0.803 . . . . 0.0 112.136 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.68 -38.36 87.5 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 170.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.76 -46.36 88.38 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.595 0.758 . . . . 0.0 111.303 170.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.8 m -57.28 -43.99 83.62 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.713 1.142 . . . . 0.0 112.011 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -60.17 -43.88 95.49 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.44 1.096 . . . . 0.0 111.397 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.81 -42.52 97.82 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 118.318 -0.849 . . . . 0.0 112.167 172.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.9 t -62.97 -46.6 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 119.994 1.27 . . . . 0.0 111.397 174.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.02 -28.07 69.32 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.304 1.441 . . . . 0.0 113.65 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -129.68 36.23 4.1 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 125.507 1.523 . . . . 0.0 111.689 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.5 p -66.64 -11.9 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 120.103 -1.623 . . . . 0.0 114.686 -171.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -88.5 -10.2 49.8 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 120.438 -1.414 . . . . 0.0 114.098 168.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -140.42 2.36 1.84 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.072 1.749 . . . . 0.0 114.191 -165.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . 0.328 0.0 OUTLIER -63.92 -17.29 0.4 Allowed Pre-proline 0 CA--C 1.545 0.777 0 CA-C-O 114.609 -2.615 . . . . 0.0 117.848 -177.664 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.405 ' HA ' HG12 ' A' ' 135' ' ' VAL . 4.4 Cg_exo -38.05 -29.44 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 124.995 3.797 . . . . 0.0 118.482 171.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -115.37 -16.12 11.48 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.01 -17.74 63.96 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 120.555 -1.341 . . . . 0.0 114.388 177.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.6 mt -100.28 10.21 41.56 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.937 0.895 . . . . 0.0 112.573 171.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.9 t -55.62 -41.51 73.6 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.394 1.078 . . . . 0.0 113.083 -178.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.3 -27.17 67.08 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.034 -1.041 . . . . 0.0 113.481 173.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mt -82.63 -38.84 22.96 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.865 0.866 . . . . 0.0 111.033 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.0 t -55.01 -44.93 75.02 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 119.301 -0.381 . . . . 0.0 110.811 162.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -61.14 -50.33 73.64 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.849 0.86 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.71 -38.07 80.62 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.326 -0.859 . . . . 0.0 112.023 175.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -68.05 -65.64 0.67 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.458 0.572 . . . . 0.0 109.987 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.77 -51.37 56.83 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.386 1.474 . . . . 0.0 113.033 -174.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -73.44 -3.83 29.9 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -174.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -139.63 -44.48 0.44 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -172.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.76 -41.84 0.28 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 -167.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 48.09 37.74 8.48 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.701 1.6 . . . . 0.0 114.284 165.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.4 t -56.08 139.68 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.675 1.19 . . . . 0.0 110.271 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.61 132.94 93.24 Favored Pre-proline 0 CA--C 1.544 0.712 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -173.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -39.6 -31.24 0.38 Allowed 'Trans proline' 0 C--N 1.353 0.784 1 C-N-CA 126.324 4.683 . . . . 0.0 117.765 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.0 t -44.1 -34.58 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 121.703 2.047 . . . . 0.0 112.734 171.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -56.89 -36.93 70.7 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 174.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 133' ' ' SER . 0.0 OUTLIER -54.69 -44.53 73.47 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 171.688 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -61.35 -36.76 81.09 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.444 0.698 . . . . 0.0 110.492 -170.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 mt -65.15 -55.37 19.05 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.388 1.475 . . . . 0.0 109.775 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -37.66 77.42 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.782 0.833 . . . . 0.0 111.366 177.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.3 m -73.49 -36.96 65.87 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.898 1.279 . . . . 0.0 114.227 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -56.4 -46.73 80.01 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.147 0.885 . . . . 0.0 110.548 162.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 74.3 m -62.91 -38.59 91.56 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.709 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.0 mt -57.5 -55.87 29.28 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 124.401 1.08 . . . . 0.0 110.349 168.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.3 mt -52.2 -38.56 58.27 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.851 1.205 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.2 t -58.93 -56.42 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.138 0.975 . . . . 0.0 112.348 169.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -36.18 81.43 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.433 1.015 . . . . 0.0 111.995 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.6 mt -59.52 -59.58 5.22 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 123.92 0.888 . . . . 0.0 108.614 172.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.09 -27.19 19.17 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.882 1.219 . . . . 0.0 114.276 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.15 -29.1 31.78 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 176.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -131.8 -18.28 2.74 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -166.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 tt -105.14 128.47 26.58 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 128.408 2.683 . . . . 0.0 106.655 173.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -69.83 74.44 1.32 Allowed 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 122.996 2.464 . . . . 0.0 110.681 170.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.36 -15.72 63.84 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.287 1.035 . . . . 0.0 112.545 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 56.94 9.62 0.65 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.932 1.693 . . . . 0.0 113.344 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 8.9 p90 44.0 24.53 0.08 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 128.666 2.786 . . . . 0.0 115.048 177.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.57 160.21 77.76 Favored Pre-proline 0 N--CA 1.468 0.465 0 C-N-CA 125.068 1.347 . . . . 0.0 111.088 -175.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -59.51 -44.81 29.77 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 121.843 1.695 . . . . 0.0 112.346 168.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.9 -49.03 76.8 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 117.98 0.354 . . . . 0.0 111.062 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.9 t -75.04 -50.68 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 120.661 -1.275 . . . . 0.0 112.31 -177.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -65.92 -41.2 91.68 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 120.625 -1.297 . . . . 0.0 111.557 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.56 -57.6 9.62 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.05 173.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 91.4 p -55.5 -43.48 75.7 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 117.155 -1.402 . . . . 0.0 112.714 -175.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.74 -49.28 66.48 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 120.574 1.534 . . . . 0.0 111.132 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -59.25 -50.57 73.51 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.555 1.07 . . . . 0.0 112.204 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -28.76 64.67 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -63.07 -49.04 76.08 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 119.73 1.15 . . . . 0.0 110.422 169.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.45 -33.38 75.44 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.194 0.906 . . . . 0.0 111.092 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.18 -39.54 86.82 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 119.632 1.106 . . . . 0.0 113.112 167.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.3 t -66.56 -45.28 79.87 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.727 -1.233 . . . . 0.0 112.655 173.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 64.0 t -54.08 -45.85 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.021 0.928 . . . . 0.0 109.899 171.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.429 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . 32.1 t -60.29 -54.6 43.84 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.667 1.187 . . . . 0.0 113.632 174.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 21.2 m -50.54 -42.27 55.0 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.531 1.06 . . . . 0.0 110.547 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 77' ' ' PRO . 70.7 t -68.88 -47.14 77.56 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 118.316 -0.85 . . . . 0.0 112.801 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -29.19 65.48 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.627 1.558 . . . . 0.0 112.925 174.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 89.2 m -76.56 -15.21 59.91 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 128.042 2.537 . . . . 0.0 113.034 175.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.47 0.562 0 C-N-CA 125.273 1.429 . . . . 0.0 112.748 -173.068 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.32 3.5 p . . . . . 0 N--CA 1.516 2.864 0 CA-C-O 116.928 -1.511 . . . . 0.0 112.787 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 22.27 73.47 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 127.831 2.453 . . . . 0.0 115.227 -176.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.29 163.31 13.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.932 0.493 . . . . 0.0 111.731 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.56 152.03 90.48 Favored Pre-proline 0 N--CA 1.48 1.041 0 CA-C-O 118.504 -0.76 . . . . 0.0 109.581 166.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -53.51 -38.41 83.38 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.881 2.387 . . . . 0.0 114.658 173.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -71.79 -43.22 66.05 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.534 -0.729 . . . . 0.0 112.216 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.51 -42.87 95.54 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.679 -0.638 . . . . 0.0 111.364 175.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.09 -52.86 59.63 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.792 1.237 . . . . 0.0 110.827 170.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -54.19 -45.91 72.26 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 118.722 0.692 . . . . 0.0 111.353 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.04 -52.77 64.14 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.516 HG21 ' CE1' ' B' ' 130' ' ' TYR . 4.0 p -65.12 -50.16 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-N 119.76 1.164 . . . . 0.0 112.467 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -70.68 -36.07 73.14 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.167 0.894 . . . . 0.0 112.171 -172.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.26 -37.7 88.43 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.503 1.047 . . . . 0.0 111.989 172.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.406 ' HA ' ' HE3' ' B' ' 17' ' ' LYS . 1.5 tt -66.92 -39.4 87.35 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.44 -0.788 . . . . 0.0 111.202 172.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -25.8 61.34 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 164.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.82 -38.89 85.83 Favored Glycine 0 CA--C 1.535 1.284 0 CA-C-N 118.847 0.749 . . . . 0.0 113.239 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' B' ' 14' ' ' LEU . 5.2 ptpt -89.49 -19.4 25.12 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 177.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.414 HG23 HG13 ' B' ' 23' ' ' VAL . 0.5 OUTLIER -53.6 133.73 16.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 124.34 1.056 . . . . 0.0 113.139 -169.015 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -87.19 85.03 7.17 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.937 0.895 . . . . 0.0 108.851 174.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.4 t -52.26 -35.56 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 124.305 1.042 . . . . 0.0 113.485 -169.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -44.09 86.41 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.944 1.297 . . . . 0.0 113.046 174.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -95.51 -38.39 10.46 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.658 -0.651 . . . . 0.0 111.444 -167.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.414 HG13 HG23 ' B' ' 18' ' ' VAL . 0.4 OUTLIER -63.66 -34.98 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 O-C-N 121.382 -0.824 . . . . 0.0 110.613 165.581 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.29 -46.81 67.79 Favored Glycine 0 N--CA 1.468 0.797 0 CA-C-O 119.478 -0.623 . . . . 0.0 111.61 174.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.32 -42.83 95.75 Favored Glycine 0 N--CA 1.47 0.931 0 CA-C-N 118.044 0.922 . . . . 0.0 113.746 170.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -64.5 -38.27 90.42 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 123.533 0.733 . . . . 0.0 112.195 173.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.95 -51.49 39.12 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 119.605 1.093 . . . . 0.0 111.801 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.452 HD23 ' CD2' ' B' ' 63' ' ' HIS . 1.0 OUTLIER -75.77 -22.44 56.43 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.37 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.93 -58.93 6.32 Favored Glycine 0 N--CA 1.464 0.541 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 164.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -53.87 -33.98 58.03 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.65 -1.5 . . . . 0.0 112.623 176.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.447 ' HA ' HG23 ' B' ' 109' ' ' VAL . 58.9 tp -49.85 -39.77 40.19 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.504 1.122 . . . . 0.0 113.184 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.04 -11.19 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 118.624 -0.703 . . . . 0.0 112.217 -168.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.473 ' CG1' HG13 ' B' ' 54' ' ' VAL . 15.2 m -62.34 -24.86 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 119.598 1.09 . . . . 0.0 111.8 166.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -58.68 1.53 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 173.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . 0.421 ' H ' ' C ' ' B' ' 33' ' ' VAL . 0.2 OUTLIER 47.69 38.19 0.45 Allowed Pre-proline 0 CA--C 1.557 1.22 0 C-N-CA 126.533 1.933 . . . . 0.0 114.397 -168.654 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -77.51 178.92 7.03 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 122.809 2.339 . . . . 0.0 110.733 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 13.9 p90 -50.09 -31.74 14.03 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 120.918 -1.114 . . . . 0.0 113.063 167.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.27 -25.12 61.41 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.855 1.262 . . . . 0.0 113.956 174.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -27.1 59.94 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.221 0.919 . . . . 0.0 111.153 173.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 ptt-85 -48.9 -38.91 24.06 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.925 1.239 . . . . 0.0 113.894 174.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.04 0.33 45.38 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.603 1.161 . . . . 0.0 112.087 -174.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.57 -35.2 40.16 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.528 -1.358 . . . . 0.0 114.513 177.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -59.92 -16.42 29.49 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 18.1 t -85.0 -23.44 28.67 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.726 ' HB2' HD13 ' B' ' 48' ' ' LEU . 12.0 m-85 -96.15 -2.59 46.11 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.893 -1.129 . . . . 0.0 113.344 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.1 31.51 75.06 Favored Glycine 0 N--CA 1.478 1.459 0 N-CA-C 116.321 1.288 . . . . 0.0 116.321 162.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.566 ' C ' HD11 ' B' ' 48' ' ' LEU . 0.5 OUTLIER -165.76 -129.6 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.85 1.66 . . . . 0.0 108.715 -172.797 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.726 HD13 ' HB2' ' B' ' 45' ' ' PHE . 0.2 OUTLIER 63.3 -8.06 0.15 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 127.855 2.462 . . . . 0.0 116.71 168.407 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 41.8 m -57.0 -18.41 13.57 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.302 1.841 . . . . 0.0 114.401 172.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' THR . . . . . 0.45 ' HG1' ' H ' ' B' ' 53' ' ' ALA . 1.4 p -141.16 162.69 46.57 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 125.748 1.619 . . . . 0.0 110.78 178.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -55.48 -54.65 3.94 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.825 2.35 . . . . 0.0 112.082 172.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -61.74 -39.29 91.06 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.011 0.925 . . . . 0.0 111.853 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.45 ' H ' ' HG1' ' B' ' 50' ' ' THR . . . -56.07 -46.81 78.84 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 123.22 0.608 . . . . 0.0 110.913 173.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.473 HG13 ' CG1' ' B' ' 33' ' ' VAL . 0.3 OUTLIER -70.93 -46.56 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 119.964 1.256 . . . . 0.0 113.35 -178.644 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 1.7 mtt -70.43 -23.3 62.7 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.801 0.728 . . . . 0.0 112.037 -173.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.58 -11.0 49.01 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.884 1.231 . . . . 0.0 115.268 174.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -61.6 120.16 53.65 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-N 119.882 1.841 . . . . 0.0 111.658 -176.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -63.72 -24.76 68.84 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.91 2.407 . . . . 0.0 113.488 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -76.11 -47.27 25.06 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.029 1.286 . . . . 0.0 112.885 -178.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -66.4 -34.1 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 CA-C-N 119.264 0.938 . . . . 0.0 112.444 170.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -57.86 -57.51 12.47 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.465 1.03 . . . . 0.0 111.419 167.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.75 -50.84 69.31 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.414 1.486 . . . . 0.0 112.905 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' HIS . . . . . 0.452 ' CD2' HD23 ' B' ' 28' ' ' LEU . 0.9 OUTLIER -64.63 -33.98 77.2 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.53 -0.732 . . . . 0.0 111.674 174.786 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.79 -40.48 64.38 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 125.386 1.469 . . . . 0.0 112.815 168.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.28 -41.02 98.96 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.766 -0.844 . . . . 0.0 111.777 173.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -63.7 -52.41 60.69 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.443 0.697 . . . . 0.0 111.105 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 30.7 m -59.48 -46.93 92.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 122.591 0.356 . . . . 0.0 111.029 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.38 -38.26 68.53 Favored 'General case' 0 C--O 1.224 -0.275 0 O-C-N 121.26 -0.9 . . . . 0.0 111.768 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.07 -42.6 55.02 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.009 0.814 . . . . 0.0 111.64 172.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.97 -47.27 81.05 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 170.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.495 ' CE2' HD21 ' B' ' 110' ' ' LEU . 2.3 m-30 -55.46 -37.07 67.28 Favored 'General case' 0 CA--C 1.554 1.098 0 O-C-N 120.195 -1.566 . . . . 0.0 111.655 175.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.1 t -67.72 -42.89 81.24 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.335 1.454 . . . . 0.0 113.254 172.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -56.15 -31.58 63.48 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.01 0.823 . . . . 0.0 111.886 167.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.25 -61.97 6.35 Favored Glycine 0 C--N 1.337 0.637 0 C-N-CA 124.482 1.039 . . . . 0.0 110.986 169.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 mt -54.13 -27.81 35.76 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.88 -27.35 54.99 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 172.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -143.03 54.8 1.37 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.221 1.808 . . . . 0.0 112.477 -171.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.06 -11.49 59.09 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.809 -1.182 . . . . 0.0 113.813 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -59.29 -38.47 80.28 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.895 1.278 . . . . 0.0 113.661 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -153.91 107.47 2.96 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.537 1.535 . . . . 0.0 110.374 175.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.3 mt -83.01 -21.76 33.79 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 173.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -69.31 -7.59 38.46 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.575 -1.328 . . . . 0.0 113.888 -174.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -115.71 -46.42 0.56 Allowed Glycine 0 CA--C 1.536 1.367 0 C-N-CA 125.779 1.657 . . . . 0.0 113.577 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.2 p -60.67 -26.75 67.32 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 118.669 1.235 . . . . 0.0 113.386 173.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -108.55 -1.98 19.25 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 118.012 -0.994 . . . . 0.0 113.362 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.74 -38.8 67.58 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 120.637 1.562 . . . . 0.0 114.239 -174.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 6.5 p -64.38 -35.48 81.03 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.426 1.09 . . . . 0.0 112.666 172.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 45.3 mt -73.03 -39.63 65.8 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.821 0.848 . . . . 0.0 111.046 173.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.5 m -56.26 -47.86 77.71 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.827 -1.171 . . . . 0.0 111.077 171.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -62.41 -43.92 97.68 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.978 1.311 . . . . 0.0 112.83 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 44.6 tp -58.8 -53.06 62.6 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.29 -0.881 . . . . 0.0 111.84 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -77.12 6.06 7.16 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 18.8 p -119.63 -76.49 0.58 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.724 0.693 . . . . 0.0 110.988 161.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.38 -22.78 65.28 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 115.211 1.559 . . . . 0.0 115.211 -167.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.26 -28.6 11.79 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.159 0.984 . . . . 0.0 113.126 173.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 52.5 mt -142.11 38.05 1.58 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.703 1.201 . . . . 0.0 113.438 -163.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -6.07 -60.45 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 118.816 2.895 . . . . 0.0 118.816 -167.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 2.7 p 24.41 98.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 129.204 3.002 . . . . 0.0 116.089 173.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -9.48 110.41 0.04 OUTLIER Pre-proline 0 CA--C 1.553 1.088 0 C-N-CA 125.465 1.506 . . . . 0.0 114.861 155.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -53.2 -24.5 26.54 Favored 'Trans proline' 0 CA--C 1.547 1.147 0 C-N-CA 122.231 1.954 . . . . 0.0 114.494 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -46.29 -36.09 5.92 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 119.445 -2.034 . . . . 0.0 114.296 166.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -68.24 -27.45 66.36 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 117.549 -1.215 . . . . 0.0 114.214 174.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . 0.437 ' CE1' ' CB ' ' B' ' 138' ' ' ALA . 0.3 OUTLIER -60.4 -40.85 92.43 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 121.069 1.759 . . . . 0.0 109.355 166.11 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' ARG . . . . . 0.401 ' N ' ' CD1' ' B' ' 103' ' ' PHE . 31.0 ttp85 -71.77 -42.68 66.87 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.876 -0.515 . . . . 0.0 110.509 -168.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 mp -54.67 -46.3 74.04 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.606 166.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.28 -44.43 79.78 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.86 1.209 . . . . 0.0 112.028 176.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.64 -60.67 8.49 Favored Glycine 0 CA--C 1.523 0.59 0 C-N-CA 123.002 0.334 . . . . 0.0 113.371 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -56.21 -34.94 66.75 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.741 0.817 . . . . 0.0 112.484 178.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.447 HG23 ' HA ' ' B' ' 31' ' ' LEU . 43.0 t -71.09 -46.71 65.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 121.05 -1.031 . . . . 0.0 111.613 176.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.495 HD21 ' CE2' ' B' ' 71' ' ' PHE . 51.1 tp -58.22 -41.39 83.95 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.816 1.189 . . . . 0.0 111.439 -178.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 m -65.14 -30.55 50.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 121.21 -0.931 . . . . 0.0 111.659 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 29.6 t -71.95 -39.4 69.4 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.146 -0.971 . . . . 0.0 113.339 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -41.99 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 120.381 -1.449 . . . . 0.0 111.834 171.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.8 -39.7 89.89 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.288 0.495 . . . . 0.0 110.728 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.38 -28.94 63.64 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 169.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -79.15 -56.24 4.51 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 120.623 1.556 . . . . 0.0 112.849 171.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.09 -24.92 66.79 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -170.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -134.36 27.67 3.75 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.34 1.456 . . . . 0.0 112.503 -176.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -51.09 -39.88 42.59 Favored Glycine 0 N--CA 1.475 1.253 0 N-CA-C 116.806 1.482 . . . . 0.0 116.806 -168.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -67.52 -13.96 62.52 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -114.87 1.14 13.98 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.984 2.113 . . . . 0.0 111.313 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -94.21 68.04 3.62 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.083 1.353 . . . . 0.0 112.08 -174.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.681 ' HG1' ' H ' ' B' ' 126' ' ' VAL . 30.8 p -57.73 156.69 16.99 Favored Pre-proline 0 N--CA 1.474 0.761 0 C-N-CA 124.364 1.065 . . . . 0.0 112.332 -175.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -46.46 -52.64 7.07 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 121.728 1.619 . . . . 0.0 113.226 168.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -64.35 -28.83 63.25 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 CA-C-O 116.673 -1.47 . . . . 0.0 114.231 177.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . 0.681 ' H ' ' HG1' ' B' ' 123' ' ' THR . 0.4 OUTLIER -61.5 -42.45 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 122.116 2.234 . . . . 0.0 110.977 174.603 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.16 -50.0 75.41 Favored 'General case' 0 N--CA 1.461 0.09 0 O-C-N 121.697 -0.627 . . . . 0.0 110.48 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.62 -23.33 66.79 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.65 -49.45 47.31 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.516 ' CE1' HG21 ' B' ' 11' ' ' VAL . 61.3 m-85 -53.81 -48.71 69.61 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.24 166.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -56.34 -36.99 69.37 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.716 1.144 . . . . 0.0 112.371 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -71.88 -43.32 65.62 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.967 1.258 . . . . 0.0 114.345 173.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.56 -45.76 90.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 CA-C-N 120.868 1.667 . . . . 0.0 109.96 173.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 50.2 t -78.65 -29.19 14.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 CA-C-O 117.51 -1.233 . . . . 0.0 112.192 -171.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.82 -36.22 83.64 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 121.121 1.782 . . . . 0.0 112.166 166.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -65.71 -49.44 59.55 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 121.04 -1.038 . . . . 0.0 112.358 168.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -44.23 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.331 1.053 . . . . 0.0 111.572 179.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 138' ' ' ALA . . . . . 0.437 ' CB ' ' CE1' ' B' ' 103' ' ' PHE . . . -51.44 -58.6 5.83 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 127.066 2.146 . . . . 0.0 112.091 170.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -57.55 -36.52 71.74 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.225 0.61 . . . . 0.0 112.119 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.36 75.12 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.724 -0.655 . . . . 0.0 112.572 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.78 -38.42 90.94 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 120.952 1.706 . . . . 0.0 111.848 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.91 -11.87 42.76 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.423 1.489 . . . . 0.0 113.896 171.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -57.03 -30.08 63.92 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 120.539 1.518 . . . . 0.0 113.609 -176.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -87.29 5.22 39.48 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 175.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.065 0 C-N-CA 126.395 1.878 . . . . 0.0 113.386 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.51 2.568 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mp -147.82 175.98 10.5 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 126.654 1.982 . . . . 0.0 111.363 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.64 151.57 71.53 Favored Pre-proline 0 N--CA 1.481 1.082 0 CA-C-N 119.11 0.868 . . . . 0.0 112.123 175.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.37 -42.98 52.28 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 124.046 3.164 . . . . 0.0 114.985 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.37 94.11 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.76 0.424 . . . . 0.0 111.443 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -58.01 -45.46 86.85 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 122.943 0.497 . . . . 0.0 110.807 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -58.99 -51.46 69.99 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.64 0.776 . . . . 0.0 109.888 176.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 58.5 m -57.29 -47.12 82.31 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.15 0.886 . . . . 0.0 112.004 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -61.82 -43.45 98.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.067 0.547 . . . . 0.0 111.539 177.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 37.1 t -63.13 -47.34 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 124.499 1.12 . . . . 0.0 112.283 175.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.79 -44.16 97.17 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.597 1.089 . . . . 0.0 111.142 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.4 -52.42 65.68 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.265 0.626 . . . . 0.0 111.203 174.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.24 -52.37 63.62 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.043 0.937 . . . . 0.0 112.138 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . 0.414 ' CZ2' ' HB2' ' C' ' 21' ' ' ALA . 4.2 t-105 -63.07 -29.11 70.56 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.646 0.779 . . . . 0.0 113.02 177.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.74 -41.83 99.66 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.447 1.022 . . . . 0.0 113.245 169.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.99 -33.11 67.85 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 118.614 1.207 . . . . 0.0 111.805 172.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 97.7 t -60.99 -49.1 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.707 0.803 . . . . 0.0 111.515 174.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.54 -139.68 9.11 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 123.686 0.66 . . . . 0.0 113.869 -177.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.31 -21.35 59.59 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 177.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -67.05 -10.52 50.73 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . 0.414 ' HB2' ' CZ2' ' C' ' 14' ' ' TRP . . . -48.35 -47.0 37.4 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.297 1.039 . . . . 0.0 113.586 177.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.29 -36.05 92.73 Favored Glycine 0 N--CA 1.47 0.922 0 CA-C-O 119.81 -0.439 . . . . 0.0 113.177 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -62.49 -50.48 71.26 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.013 0.925 . . . . 0.0 110.347 172.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -64.16 -37.26 86.83 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 121.867 -0.521 . . . . 0.0 111.976 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.69 -50.43 58.81 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 123.987 0.804 . . . . 0.0 112.779 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.32 -48.08 77.44 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.613 1.206 . . . . 0.0 111.695 175.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -62.57 -37.73 87.31 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 123.843 0.857 . . . . 0.0 112.793 175.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.94 -40.12 87.48 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 119.432 1.015 . . . . 0.0 111.919 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 60.1 mt -64.0 -50.92 66.61 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.015 0.926 . . . . 0.0 110.883 175.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -50.15 73.61 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.861 0.464 . . . . 0.0 110.786 175.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -51.04 -48.61 61.46 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 117.837 -1.078 . . . . 0.0 111.735 173.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -55.75 -40.13 72.13 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.204 0.911 . . . . 0.0 112.901 177.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -66.38 -32.27 73.56 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 120.176 1.353 . . . . 0.0 114.324 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.1 -35.24 14.71 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 177.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 67.8 p -76.74 -34.72 58.08 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.455 1.102 . . . . 0.0 112.364 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.08 66.43 59.49 Favored Pre-proline 0 CA--C 1.54 0.593 0 C-N-CA 125.668 1.587 . . . . 0.0 109.513 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -45.66 -28.52 4.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 124.523 3.482 . . . . 0.0 115.669 -172.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -41.0 -36.35 0.65 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.242 1.417 . . . . 0.0 113.872 170.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 23.9 p -65.69 -26.89 67.98 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.022 -1.674 . . . . 0.0 114.739 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -28.14 69.49 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 120.389 1.45 . . . . 0.0 112.151 168.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -23.17 67.21 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.317 1.047 . . . . 0.0 112.976 176.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -68.51 -7.79 35.46 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 173.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 t80 63.29 58.43 2.05 Favored Pre-proline 0 CA--C 1.558 1.259 0 C-N-CA 124.998 1.319 . . . . 0.0 113.741 -177.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -56.73 169.58 1.73 Allowed 'Trans proline' 0 CA--C 1.546 1.092 0 C-N-CA 123.985 3.123 . . . . 0.0 115.117 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.41 6.26 5.77 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -173.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -81.35 23.12 0.63 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 -172.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.07 -40.09 0.28 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 128.333 2.653 . . . . 0.0 115.709 -173.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 31.6 mt 56.74 18.97 4.04 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.471 2.308 . . . . 0.0 114.832 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 17.0 m -70.29 20.9 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.365 2.266 . . . . 0.0 115.929 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 61.72 141.59 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 128.047 2.539 . . . . 0.0 113.819 -162.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.82 32.75 66.44 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 124.373 0.987 . . . . 0.0 114.677 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 14.0 t -53.22 121.07 6.8 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.511 1.124 . . . . 0.0 113.396 -173.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.75 -22.55 66.65 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.907 0.883 . . . . 0.0 113.076 172.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -79.3 -41.33 28.3 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.598 -0.688 . . . . 0.0 110.6 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 72.4 t -62.75 -43.91 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 121.383 -0.823 . . . . 0.0 111.944 173.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -61.74 -40.85 96.55 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 119.784 1.175 . . . . 0.0 112.273 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.49 -53.24 33.29 Favored Glycine 0 N--CA 1.47 0.944 0 C-N-CA 124.327 0.965 . . . . 0.0 111.563 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -52.37 -46.55 66.22 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.694 0.797 . . . . 0.0 111.426 172.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.99 -46.16 61.34 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.364 0.983 . . . . 0.0 114.292 173.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -37.26 78.13 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 119.184 1.492 . . . . 0.0 112.753 172.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -72.89 -43.03 62.98 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.633 0.773 . . . . 0.0 110.765 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 88.5 t -54.37 -47.28 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.42 1.009 . . . . 0.0 110.73 169.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.06 83.45 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.17 -38.26 88.37 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.014 0.825 . . . . 0.0 112.197 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.63 -38.44 87.66 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.686 -0.634 . . . . 0.0 112.606 170.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -46.3 88.59 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.585 0.754 . . . . 0.0 111.265 170.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 36.1 m -57.29 -44.02 83.69 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.781 1.173 . . . . 0.0 112.104 172.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -60.08 -44.0 95.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.442 1.097 . . . . 0.0 111.324 174.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.43 97.39 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 118.351 -0.833 . . . . 0.0 112.302 172.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.04 -46.52 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 119.969 1.258 . . . . 0.0 111.506 174.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.93 -28.23 69.38 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.366 1.466 . . . . 0.0 113.655 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -129.58 36.3 4.11 Favored 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 125.417 1.487 . . . . 0.0 111.733 -176.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 1.6 p -66.64 -11.96 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 119.985 -1.697 . . . . 0.0 114.732 -171.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -88.65 -9.96 50.27 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 120.407 -1.433 . . . . 0.0 114.088 168.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -140.44 2.28 1.83 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.154 1.782 . . . . 0.0 114.289 -165.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 76' ' ' MET . . . . . . . . . . . . 0.324 0.0 OUTLIER -63.98 -17.15 0.39 Allowed Pre-proline 0 CA--C 1.543 0.708 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 -177.681 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -38.18 -29.08 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.232 0 C-N-CA 124.96 3.773 . . . . 0.0 118.545 171.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -115.71 -15.93 11.3 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 171.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.94 -17.88 64.01 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.67 -1.269 . . . . 0.0 114.371 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 31.0 mt -100.22 10.21 41.59 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.807 0.843 . . . . 0.0 112.589 171.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 40.3 t -55.62 -41.42 73.46 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.302 1.041 . . . . 0.0 113.184 -178.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.28 -27.19 67.08 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.042 -1.036 . . . . 0.0 113.46 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.7 mt -82.64 -38.76 23.05 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.732 0.813 . . . . 0.0 111.031 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 18.7 t -55.1 -44.95 75.39 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 119.369 -0.348 . . . . 0.0 110.849 162.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -60.99 -50.44 73.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.907 0.883 . . . . 0.0 112.463 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.61 -38.24 80.77 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.312 -0.867 . . . . 0.0 111.993 175.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -67.8 -65.8 0.65 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.585 0.629 . . . . 0.0 109.96 176.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.86 -51.39 57.08 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.394 1.478 . . . . 0.0 112.934 -174.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -73.44 -3.87 30.1 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -174.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -139.52 -44.39 0.45 Allowed 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -172.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.83 -41.97 0.28 Allowed 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 -167.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 48.23 37.71 8.81 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.687 1.595 . . . . 0.0 114.271 165.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 72.1 t -56.05 139.74 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.644 1.177 . . . . 0.0 110.192 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.6 132.83 93.2 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -174.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -39.61 -31.14 0.38 Allowed 'Trans proline' 0 C--N 1.353 0.805 1 C-N-CA 126.257 4.638 . . . . 0.0 117.83 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 53.2 t -44.06 -34.58 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 CA-C-N 121.607 2.003 . . . . 0.0 112.791 171.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -56.94 -36.93 70.81 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' C' ' 133' ' ' SER . 0.0 OUTLIER -54.76 -44.49 73.68 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 171.713 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -61.27 -36.79 80.99 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.362 0.665 . . . . 0.0 110.606 -171.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.11 -55.28 19.67 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.383 1.473 . . . . 0.0 109.864 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -37.62 77.63 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.77 0.828 . . . . 0.0 111.378 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 26.6 m -73.37 -37.08 66.16 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.008 1.323 . . . . 0.0 114.222 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -56.41 -46.83 80.01 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 119.091 0.86 . . . . 0.0 110.48 162.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 74.1 m -62.91 -38.64 91.77 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.193 -0.908 . . . . 0.0 112.583 178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 22.8 mt -57.52 -55.78 30.39 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 124.365 1.066 . . . . 0.0 110.375 168.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 34.4 mt -52.13 -38.63 58.1 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.796 1.18 . . . . 0.0 112.37 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 8.0 t -58.86 -56.51 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 124.237 1.015 . . . . 0.0 112.333 169.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -36.19 81.38 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.417 1.008 . . . . 0.0 111.922 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 6.6 mt -59.5 -59.68 5.06 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 124.112 0.965 . . . . 0.0 108.573 172.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.23 -27.14 20.61 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.798 1.181 . . . . 0.0 114.173 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.96 -29.31 32.24 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -131.7 -18.22 2.78 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -166.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 2.0 tt -105.16 128.47 26.59 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 128.334 2.654 . . . . 0.0 106.672 173.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -69.73 74.26 1.29 Allowed 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.025 2.483 . . . . 0.0 110.828 169.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.12 -15.92 64.01 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.308 1.043 . . . . 0.0 112.554 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 57.09 9.65 0.69 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.963 1.705 . . . . 0.0 113.245 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 8.8 p90 43.79 24.62 0.07 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 128.68 2.792 . . . . 0.0 114.99 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.51 160.34 76.86 Favored Pre-proline 0 N--CA 1.47 0.54 0 C-N-CA 125.048 1.339 . . . . 0.0 111.13 -175.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -59.65 -44.83 28.92 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.732 1.621 . . . . 0.0 112.383 168.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.07 76.67 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 117.961 0.346 . . . . 0.0 110.982 176.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 39.7 t -75.0 -50.68 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 120.624 -1.297 . . . . 0.0 112.444 -177.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -65.81 -41.28 92.05 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 120.668 -1.27 . . . . 0.0 111.454 -176.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.62 -57.74 9.12 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.021 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 92.1 p -55.33 -43.58 75.07 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 117.158 -1.401 . . . . 0.0 112.712 -175.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.5 -49.53 66.26 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 120.658 1.572 . . . . 0.0 111.084 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -59.23 -50.35 74.36 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.43 1.014 . . . . 0.0 112.351 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -28.68 64.42 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 178.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -63.05 -49.17 75.62 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.709 1.14 . . . . 0.0 110.311 169.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.48 -33.35 75.38 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.175 0.898 . . . . 0.0 111.084 177.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.56 86.54 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.638 1.108 . . . . 0.0 113.151 167.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 7.4 t -66.61 -45.26 79.7 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.671 -1.268 . . . . 0.0 112.596 173.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 62.6 t -53.94 -46.0 64.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.041 0.936 . . . . 0.0 109.956 171.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 133' ' ' SER . . . . . 0.43 ' HB2' ' CD1' ' C' ' 98' ' ' PHE . 33.4 t -60.07 -54.75 42.33 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 124.731 1.212 . . . . 0.0 113.69 174.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 21.5 m -50.45 -42.34 54.06 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.444 1.02 . . . . 0.0 110.681 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 71.6 t -68.77 -47.24 77.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 118.434 -0.793 . . . . 0.0 112.871 175.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -29.06 65.18 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 120.644 1.566 . . . . 0.0 113.081 174.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 89.2 m -76.73 -15.12 59.86 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 127.993 2.517 . . . . 0.0 113.077 175.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 22.5 m . . . . . 0 N--CA 1.47 0.528 0 C-N-CA 125.251 1.42 . . . . 0.0 112.77 -173.026 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.319 3.5 p . . . . . 0 N--CA 1.514 2.752 0 CA-C-O 116.925 -1.512 . . . . 0.0 112.872 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 22.1 73.39 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 127.695 2.398 . . . . 0.0 115.326 -176.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.07 163.34 12.57 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.694 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.64 151.95 90.96 Favored Pre-proline 0 N--CA 1.481 1.08 0 CA-C-O 118.635 -0.698 . . . . 0.0 109.514 166.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -53.59 -38.22 83.8 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.81 2.34 . . . . 0.0 114.686 173.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -71.68 -43.46 65.94 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.447 -0.783 . . . . 0.0 112.224 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -64.39 -42.92 95.86 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.7 -0.625 . . . . 0.0 111.419 175.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.17 -52.74 60.23 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.685 1.194 . . . . 0.0 110.868 170.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -54.16 -45.94 72.19 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.647 0.658 . . . . 0.0 111.347 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.92 -52.88 63.65 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 11' ' ' VAL . . . . . 0.52 HG21 ' CE1' ' D' ' 130' ' ' TYR . 3.8 p -65.09 -50.26 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 119.785 1.175 . . . . 0.0 112.472 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -70.49 -35.88 73.5 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.107 0.867 . . . . 0.0 112.255 -172.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.47 -37.55 87.93 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.462 1.028 . . . . 0.0 111.928 172.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.99 -39.46 87.14 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.318 -0.864 . . . . 0.0 111.18 172.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -25.85 61.61 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 164.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.73 -38.75 86.02 Favored Glycine 0 CA--C 1.535 1.34 0 O-C-N 121.333 -0.855 . . . . 0.0 113.221 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -89.67 -19.41 24.88 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.422 HG22 HG12 ' D' ' 23' ' ' VAL . 0.5 OUTLIER -53.58 133.61 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.284 1.034 . . . . 0.0 113.131 -169.004 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -87.07 85.01 7.2 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.891 0.876 . . . . 0.0 108.86 174.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 87.0 t -52.15 -35.62 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 124.33 1.052 . . . . 0.0 113.609 -170.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -44.25 86.33 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.025 1.33 . . . . 0.0 113.018 174.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -95.4 -38.34 10.53 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.691 -0.631 . . . . 0.0 111.455 -167.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . 0.422 HG12 HG22 ' D' ' 18' ' ' VAL . 0.4 OUTLIER -63.71 -34.84 70.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 O-C-N 121.535 -0.728 . . . . 0.0 110.616 165.633 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.33 -46.79 67.82 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-O 119.426 -0.652 . . . . 0.0 111.605 174.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.32 -42.79 95.73 Favored Glycine 0 N--CA 1.469 0.873 0 CA-C-N 118.072 0.936 . . . . 0.0 113.726 170.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -64.46 -38.34 90.68 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 123.601 0.76 . . . . 0.0 112.143 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.14 -51.72 35.53 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 119.662 1.119 . . . . 0.0 111.813 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . 0.443 HD22 ' CD2' ' D' ' 63' ' ' HIS . 0.9 OUTLIER -75.43 -22.36 57.44 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -178.589 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.05 -59.11 6.11 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 164.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -53.83 -33.96 57.8 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 120.724 -1.457 . . . . 0.0 112.636 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . 0.438 ' HA ' HG23 ' D' ' 109' ' ' VAL . 58.9 tp -49.73 -39.69 38.22 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.591 1.156 . . . . 0.0 113.139 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.15 -11.12 8.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 118.719 -0.658 . . . . 0.0 112.264 -168.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 33' ' ' VAL . . . . . 0.465 ' CG1' HG13 ' D' ' 54' ' ' VAL . 15.8 m -62.47 -24.91 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 119.536 1.062 . . . . 0.0 111.8 166.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -58.62 1.59 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 173.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 35' ' ' TYR . . . . . 0.438 ' H ' ' C ' ' D' ' 33' ' ' VAL . 0.2 OUTLIER 47.74 38.06 0.44 Allowed Pre-proline 0 CA--C 1.559 1.31 0 C-N-CA 126.542 1.937 . . . . 0.0 114.394 -168.779 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -77.39 178.8 7.19 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.771 2.314 . . . . 0.0 110.72 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 14.1 p90 -50.02 -31.8 13.76 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.972 -1.08 . . . . 0.0 113.006 167.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.05 -25.41 61.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.804 1.242 . . . . 0.0 113.956 174.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -27.03 59.01 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.182 0.901 . . . . 0.0 111.17 173.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 5.7 ptt-85 -48.9 -38.96 24.16 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 119.879 1.218 . . . . 0.0 113.832 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.02 0.22 45.83 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.761 1.224 . . . . 0.0 112.044 -174.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.65 -35.06 40.71 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 120.436 -1.415 . . . . 0.0 114.551 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -59.96 -16.37 29.65 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 18.4 t -85.22 -23.22 28.35 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 173.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . 0.724 ' HB2' HD13 ' D' ' 48' ' ' LEU . 12.3 m-85 -96.27 -2.5 45.87 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.032 -1.043 . . . . 0.0 113.385 -179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.23 31.26 74.32 Favored Glycine 0 N--CA 1.479 1.516 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 162.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . 0.56 ' C ' HD11 ' D' ' 48' ' ' LEU . 0.5 OUTLIER -165.65 -129.56 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 125.818 1.647 . . . . 0.0 108.687 -172.785 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 48' ' ' LEU . . . . . 0.724 HD13 ' HB2' ' D' ' 45' ' ' PHE . 0.3 OUTLIER 63.29 -8.04 0.15 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.865 2.466 . . . . 0.0 116.615 168.36 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 41.0 m -56.97 -18.4 13.41 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.237 1.815 . . . . 0.0 114.447 172.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 50' ' ' THR . . . . . 0.444 ' HG1' ' H ' ' D' ' 53' ' ' ALA . 1.4 p -141.21 162.74 46.16 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.717 1.607 . . . . 0.0 110.67 179.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -55.45 -54.8 3.73 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.797 2.332 . . . . 0.0 112.041 172.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.73 -39.15 90.54 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.995 0.918 . . . . 0.0 111.914 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 53' ' ' ALA . . . . . 0.444 ' H ' ' HG1' ' D' ' 50' ' ' THR . . . -56.19 -46.63 79.33 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.182 0.593 . . . . 0.0 110.88 173.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . 0.465 HG13 ' CG1' ' D' ' 33' ' ' VAL . 0.3 OUTLIER -70.99 -46.65 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.883 1.219 . . . . 0.0 113.344 -178.754 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 1.7 mtt -70.4 -23.3 62.74 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.751 0.705 . . . . 0.0 112.03 -173.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.54 -11.04 49.0 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 124.973 1.273 . . . . 0.0 115.255 174.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -61.63 120.16 53.73 Favored Pre-proline 0 N--CA 1.474 0.758 0 CA-C-N 119.924 1.862 . . . . 0.0 111.536 -175.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -63.59 -24.95 69.65 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 122.995 2.463 . . . . 0.0 113.497 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -76.15 -46.98 26.01 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.908 1.231 . . . . 0.0 112.909 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -66.36 -34.5 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 CA-C-N 119.315 0.961 . . . . 0.0 112.248 170.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -57.7 -57.44 12.72 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 119.504 1.047 . . . . 0.0 111.398 168.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.97 -50.6 70.36 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.449 1.5 . . . . 0.0 112.843 -178.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 63' ' ' HIS . . . . . 0.443 ' CD2' HD22 ' D' ' 28' ' ' LEU . 0.9 OUTLIER -64.84 -33.93 77.16 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.515 -0.741 . . . . 0.0 111.563 174.829 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.82 -40.59 64.85 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.366 1.46 . . . . 0.0 112.827 168.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.97 -41.11 99.45 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 121.896 -0.767 . . . . 0.0 111.889 172.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -63.87 -52.19 61.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.451 0.701 . . . . 0.0 111.096 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 31.2 m -59.83 -46.82 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.518 0.327 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.31 -38.49 68.7 Favored 'General case' 0 C--O 1.224 -0.247 0 O-C-N 121.118 -0.988 . . . . 0.0 111.736 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.91 -42.57 53.92 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 123.929 0.776 . . . . 0.0 111.677 172.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.94 -47.27 81.16 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 170.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . 0.494 ' CE2' HD21 ' D' ' 110' ' ' LEU . 2.3 m-30 -55.53 -37.13 67.53 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 120.333 -1.479 . . . . 0.0 111.599 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 7.0 t -67.56 -42.99 81.74 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.434 1.494 . . . . 0.0 113.181 172.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -56.31 -31.48 63.72 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.026 0.83 . . . . 0.0 111.838 168.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.48 -61.68 6.59 Favored Glycine 0 C--N 1.338 0.666 0 C-N-CA 124.31 0.957 . . . . 0.0 111.041 169.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 mt -54.25 -27.8 37.23 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.91 -27.4 54.9 Favored 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 171.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -142.96 54.99 1.38 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.377 1.871 . . . . 0.0 112.577 -171.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.25 -11.3 59.14 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -59.33 -38.46 80.39 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.777 1.231 . . . . 0.0 113.673 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -153.93 107.79 2.99 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.592 1.557 . . . . 0.0 110.379 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 67.2 mt -83.35 -21.48 33.1 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 173.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -69.55 -7.5 39.02 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 120.539 -1.351 . . . . 0.0 113.731 -174.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -115.7 -46.7 0.55 Allowed Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.888 1.709 . . . . 0.0 113.545 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.2 p -60.61 -26.3 66.89 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 118.644 1.222 . . . . 0.0 113.492 173.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -108.95 -1.96 18.64 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 117.941 -1.028 . . . . 0.0 113.345 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.64 -38.83 67.35 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 120.594 1.543 . . . . 0.0 114.272 -174.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 6.5 p -64.41 -35.43 80.88 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.397 1.079 . . . . 0.0 112.616 172.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 44.7 mt -72.99 -39.67 65.89 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.88 0.872 . . . . 0.0 111.126 173.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 1.5 m -56.1 -48.1 76.81 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 120.797 -1.189 . . . . 0.0 110.964 171.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -62.32 -44.07 97.35 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.984 1.314 . . . . 0.0 112.746 174.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 44.3 tp -58.77 -53.08 62.42 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.304 -0.872 . . . . 0.0 111.784 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -77.27 6.74 6.19 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -177.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 18.8 p -120.28 -76.37 0.58 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.65 0.659 . . . . 0.0 110.942 160.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.69 -22.73 65.58 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -167.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 -28.61 11.81 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.147 0.979 . . . . 0.0 113.211 173.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 50.6 mt -142.34 39.71 1.58 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.753 1.221 . . . . 0.0 113.306 -163.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -7.53 -60.16 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 118.719 2.859 . . . . 0.0 118.719 -167.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 2.5 p 24.34 98.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 129.281 3.033 . . . . 0.0 116.02 173.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -9.71 110.54 0.04 OUTLIER Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 125.48 1.512 . . . . 0.0 114.911 155.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -53.27 -24.41 26.76 Favored 'Trans proline' 0 CA--C 1.547 1.162 0 C-N-CA 122.215 1.943 . . . . 0.0 114.573 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -46.38 -36.13 6.14 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 119.499 -2.0 . . . . 0.0 114.409 166.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -68.15 -27.47 66.46 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 117.53 -1.224 . . . . 0.0 114.185 174.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 103' ' ' PHE . . . . . 0.437 ' CE1' ' CB ' ' D' ' 138' ' ' ALA . 0.3 OUTLIER -60.49 -40.73 92.4 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 121.142 1.792 . . . . 0.0 109.296 166.157 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 104' ' ' ARG . . . . . 0.41 ' N ' ' CD1' ' D' ' 103' ' ' PHE . 31.0 ttp85 -72.02 -42.44 66.38 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.783 -0.573 . . . . 0.0 110.468 -168.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 7.8 mp -54.78 -46.2 74.39 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.318 -0.849 . . . . 0.0 111.531 166.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.45 -44.42 80.46 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.955 1.252 . . . . 0.0 111.962 176.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.64 -60.87 8.12 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 123.085 0.374 . . . . 0.0 113.227 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -55.83 -35.2 66.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.721 0.808 . . . . 0.0 112.565 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 109' ' ' VAL . . . . . 0.438 HG23 ' HA ' ' D' ' 31' ' ' LEU . 43.1 t -70.95 -46.59 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 121.026 -1.046 . . . . 0.0 111.756 176.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . 0.494 HD21 ' CE2' ' D' ' 71' ' ' PHE . 51.4 tp -58.24 -41.49 84.27 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.754 1.161 . . . . 0.0 111.548 -178.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 1.1 m -64.89 -30.58 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 O-C-N 121.089 -1.007 . . . . 0.0 111.859 176.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 29.9 t -72.04 -39.34 69.17 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.132 -0.98 . . . . 0.0 113.222 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.5 -41.88 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 O-C-N 120.22 -1.55 . . . . 0.0 111.899 172.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 25.3 mt -60.98 -39.57 90.12 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.151 0.432 . . . . 0.0 110.685 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.35 -28.99 63.62 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 169.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 32.4 t-80 -79.3 -56.25 4.48 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.646 1.566 . . . . 0.0 112.766 171.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.94 -25.05 66.95 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -170.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -134.21 27.61 3.8 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.433 1.493 . . . . 0.0 112.468 -176.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -51.07 -39.83 42.31 Favored Glycine 0 N--CA 1.476 1.321 0 N-CA-C 116.762 1.465 . . . . 0.0 116.762 -168.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -67.58 -14.05 62.6 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 118.0 0.9 . . . . 0.0 113.187 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -114.84 1.06 13.98 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.048 2.139 . . . . 0.0 111.385 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -94.03 68.42 3.77 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.107 1.363 . . . . 0.0 112.046 -174.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 123' ' ' THR . . . . . 0.695 ' HG1' ' H ' ' D' ' 126' ' ' VAL . 30.9 p -58.11 156.71 19.13 Favored Pre-proline 0 N--CA 1.473 0.707 0 C-N-CA 124.253 1.021 . . . . 0.0 112.3 -175.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -46.35 -52.69 6.93 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 121.699 1.599 . . . . 0.0 113.353 168.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -64.01 -29.06 66.2 Favored 'Trans proline' 0 C--N 1.354 0.829 0 CA-C-O 116.737 -1.443 . . . . 0.0 114.278 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 126' ' ' VAL . . . . . 0.695 ' H ' ' HG1' ' D' ' 123' ' ' THR . 0.4 OUTLIER -61.59 -42.38 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 122.174 2.261 . . . . 0.0 110.92 174.822 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -49.81 76.09 Favored 'General case' 0 CA--C 1.527 0.067 0 O-C-N 121.799 -0.563 . . . . 0.0 110.534 177.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.95 -22.92 66.51 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.81 -49.48 45.89 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 130' ' ' TYR . . . . . 0.52 ' CE1' HG21 ' D' ' 11' ' ' VAL . 61.2 m-85 -53.75 -48.81 69.34 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 118.471 -0.776 . . . . 0.0 111.217 166.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -56.25 -37.13 69.34 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.581 1.082 . . . . 0.0 112.314 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -71.75 -43.49 65.69 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.995 1.27 . . . . 0.0 114.35 173.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.42 -45.75 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 CA-C-N 120.806 1.639 . . . . 0.0 109.975 173.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 50.5 t -78.72 -29.16 14.39 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 CA-C-O 117.433 -1.27 . . . . 0.0 112.126 -171.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.25 83.7 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 121.128 1.786 . . . . 0.0 112.169 166.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -65.77 -49.67 57.98 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 121.157 -0.965 . . . . 0.0 112.232 168.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.77 -44.23 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.346 1.058 . . . . 0.0 111.693 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 138' ' ' ALA . . . . . 0.437 ' CB ' ' CE1' ' D' ' 103' ' ' PHE . . . -51.46 -58.66 5.65 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 127.055 2.142 . . . . 0.0 112.003 170.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -57.56 -36.36 71.57 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.167 0.587 . . . . 0.0 112.089 178.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.32 75.1 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.864 -0.588 . . . . 0.0 112.569 173.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.95 -38.41 90.86 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 120.837 1.653 . . . . 0.0 111.828 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.79 -11.87 41.48 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.363 1.465 . . . . 0.0 113.894 170.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -57.09 -29.95 63.92 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 120.533 1.515 . . . . 0.0 113.681 -176.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -87.46 5.33 39.49 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 175.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.35 -17.53 4.2 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.356 1.862 . . . . 0.0 113.376 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.255 1.374 0 C-N-CA 129.253 3.021 . . . . 0.0 117.607 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.515 2.781 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -146.83 161.05 41.48 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.041 1.336 . . . . 0.0 111.719 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -71.56 155.65 92.3 Favored Pre-proline 0 N--CA 1.48 1.044 0 C-N-CA 123.968 0.907 . . . . 0.0 112.371 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.0 -40.92 8.31 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 122.89 2.393 . . . . 0.0 114.352 -168.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.14 -38.43 88.94 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.341 0.518 . . . . 0.0 111.959 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -56.81 -49.73 74.49 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.207 0.603 . . . . 0.0 110.958 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -55.5 -44.7 76.82 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.524 0.73 . . . . 0.0 110.827 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.7 m -59.58 -42.66 93.01 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.145 0.578 . . . . 0.0 111.444 177.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -64.78 -38.87 92.45 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.275 0.943 . . . . 0.0 112.094 174.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.35 -49.3 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.693 0.679 . . . . 0.0 111.239 173.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.69 -44.27 96.74 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 118.95 0.796 . . . . 0.0 111.194 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.34 -52.59 64.97 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.447 0.699 . . . . 0.0 111.491 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.98 -55.87 29.6 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.481 0.713 . . . . 0.0 112.146 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.431 ' CZ3' HG12 ' A' ' 17' ' ' VAL . 20.4 t-105 -63.53 -28.82 70.21 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.466 -0.771 . . . . 0.0 112.835 -176.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.83 -43.5 92.27 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.311 0.958 . . . . 0.0 113.526 169.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -73.55 -31.75 63.82 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 118.611 1.205 . . . . 0.0 111.851 174.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.431 HG12 ' CZ3' ' A' ' 14' ' ' TRP . 91.3 t -67.51 -21.08 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 125.271 1.428 . . . . 0.0 113.283 176.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.66 139.64 2.51 Favored Glycine 0 CA--C 1.543 1.835 0 C-N-CA 124.866 1.222 . . . . 0.0 114.52 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 61.53 -35.77 0.1 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 128.317 2.647 . . . . 0.0 116.454 -168.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -75.58 -20.37 58.66 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.701 1.137 . . . . 0.0 113.727 174.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.55 -44.98 26.46 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.064 1.746 . . . . 0.0 115.131 -171.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.54 -35.63 91.46 Favored Glycine 0 N--CA 1.471 0.99 0 O-C-N 121.486 -0.759 . . . . 0.0 113.521 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -63.89 -46.87 82.95 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.141 0.976 . . . . 0.0 110.216 174.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -60.31 -39.94 88.76 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.413 0.685 . . . . 0.0 112.317 175.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.94 -48.42 83.71 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-N 118.623 0.647 . . . . 0.0 112.802 172.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.99 -46.11 90.52 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.283 1.042 . . . . 0.0 112.125 177.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.54 -40.01 95.44 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 121.623 -0.673 . . . . 0.0 112.553 173.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.06 95.49 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.201 0.91 . . . . 0.0 112.596 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.0 mt -65.31 -49.7 68.45 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.458 1.103 . . . . 0.0 111.887 173.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.24 -43.11 99.41 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.622 -0.674 . . . . 0.0 112.522 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -60.42 -46.69 89.13 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.358 -0.839 . . . . 0.0 111.82 172.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 38.5 ttp -54.36 -48.28 71.65 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.676 1.125 . . . . 0.0 112.133 173.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.96 -52.21 51.85 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.533 1.133 . . . . 0.0 113.009 176.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -86.02 -30.25 22.82 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -173.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.6 m -69.49 -28.27 65.91 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.443 1.019 . . . . 0.0 113.411 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -139.38 76.86 30.57 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 124.415 1.086 . . . . 0.0 109.615 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -48.89 -29.25 14.77 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 124.991 3.794 . . . . 0.0 116.878 -169.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 p -52.83 -35.8 57.74 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.65 1.18 . . . . 0.0 112.91 173.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.6 p -56.93 -27.12 60.59 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 176.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -28.91 66.08 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.682 1.128 . . . . 0.0 112.749 174.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -23.0 56.95 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.522 1.129 . . . . 0.0 113.879 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.429 ' HH ' ' HE ' ' D' ' 40' ' ' ARG . 1.2 t80 -59.32 -38.11 79.46 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.089 0.404 . . . . 0.0 111.839 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 28.0 53.44 0.41 Allowed Pre-proline 0 CA--C 1.559 1.297 0 C-N-CA 128.622 2.769 . . . . 0.0 115.278 172.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.92 -57.49 0.16 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.98 2.453 . . . . 0.0 113.388 -159.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -158.32 27.58 0.25 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.981 1.313 . . . . 0.0 112.72 171.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.7 173.85 11.12 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.788 1.235 . . . . 0.0 113.224 -175.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -141.55 158.54 43.71 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.51 1.524 . . . . 0.0 111.496 -177.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.8 mt -121.41 31.42 6.32 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.123 0.969 . . . . 0.0 112.038 -156.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.5 p -64.35 17.02 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.351 2.66 . . . . 0.0 117.484 -170.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.2 t60 69.98 127.91 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 128.769 2.827 . . . . 0.0 112.965 -172.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.75 20.31 75.76 Favored Glycine 0 CA--C 1.542 1.751 0 O-C-N 121.359 -0.838 . . . . 0.0 114.792 -174.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.1 t -57.29 125.96 25.11 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.048 1.339 . . . . 0.0 113.297 -176.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.86 -34.98 70.33 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.009 0.924 . . . . 0.0 112.696 173.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -71.05 -39.42 72.25 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.793 -0.567 . . . . 0.0 111.783 177.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 84.9 t -64.34 -42.34 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-N 119.043 0.838 . . . . 0.0 111.421 172.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -59.15 -49.18 78.85 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.103 0.961 . . . . 0.0 112.162 174.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.45 -47.0 91.25 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.211 0.91 . . . . 0.0 112.804 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -58.45 -40.6 83.06 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.554 -0.969 . . . . 0.0 111.735 172.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.14 -51.23 51.84 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.479 1.038 . . . . 0.0 113.57 171.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -57.2 -37.65 72.5 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 118.277 1.038 . . . . 0.0 113.104 171.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -69.62 -46.26 66.64 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.317 0.962 . . . . 0.0 112.292 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.2 t -56.27 -46.17 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.378 0.99 . . . . 0.0 110.466 171.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.49 73.59 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -60.21 -40.57 90.58 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.937 0.79 . . . . 0.0 112.073 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.92 -36.93 85.01 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 171.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.74 -45.85 84.71 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 118.505 -0.759 . . . . 0.0 111.245 170.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.5 m -55.66 -45.44 77.71 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 120.091 1.314 . . . . 0.0 112.0 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -57.25 -50.11 73.91 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.456 1.502 . . . . 0.0 111.552 172.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.08 -36.65 77.84 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.043 -1.036 . . . . 0.0 113.773 174.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.7 t -67.25 -45.02 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 119.626 1.103 . . . . 0.0 110.847 173.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.09 -26.13 68.69 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.509 1.124 . . . . 0.0 113.471 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -130.58 34.77 4.1 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.184 1.393 . . . . 0.0 112.704 -174.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.2 p -58.98 -8.41 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 120.202 -1.561 . . . . 0.0 115.064 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -107.95 -2.27 19.9 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.634 1.574 . . . . 0.0 114.86 171.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -140.85 1.94 1.72 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.195 1.798 . . . . 0.0 113.877 -174.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . 0.308 0.0 OUTLIER -61.88 -19.54 0.54 Allowed Pre-proline 0 CA--C 1.545 0.782 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 -175.022 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -44.24 -32.7 5.28 Favored 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 123.532 2.821 . . . . 0.0 116.315 165.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -103.09 -34.6 8.82 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 172.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.96 -16.48 61.64 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.8 mt -110.26 17.17 21.19 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.451 1.5 . . . . 0.0 112.646 175.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.1 p -53.76 -43.15 68.95 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.633 1.106 . . . . 0.0 113.851 -175.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.2 -23.96 62.7 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.926 0.89 . . . . 0.0 113.331 173.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mt -95.23 -32.66 12.92 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.082 -1.011 . . . . 0.0 111.546 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.0 t -52.31 -42.91 64.2 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 157.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.63 -39.1 92.78 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.576 -1.328 . . . . 0.0 114.039 171.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.61 -39.18 67.65 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 120.362 1.437 . . . . 0.0 112.315 168.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -87.02 -18.09 31.44 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.32 -35.5 8.39 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -175.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -143.87 -54.91 0.37 Allowed 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -54.18 -40.91 67.98 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 120.859 1.663 . . . . 0.0 113.578 -167.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 mt -136.38 -4.93 2.07 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 171.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 48.63 36.93 8.41 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 126.555 1.942 . . . . 0.0 115.181 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.0 t -47.63 124.47 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 126.151 1.78 . . . . 0.0 113.44 -176.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.58 118.32 49.79 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 124.771 1.228 . . . . 0.0 112.555 176.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -46.91 -35.74 18.79 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 125.024 3.816 . . . . 0.0 116.557 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.0 p -54.22 -34.94 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 120.896 -1.127 . . . . 0.0 112.839 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -64.08 -33.73 76.43 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.41 -0.806 . . . . 0.0 111.424 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 133' ' ' SER . 0.0 OUTLIER -57.61 -45.01 85.88 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 120.839 -1.163 . . . . 0.0 110.41 170.853 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -61.03 -39.93 91.67 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.321 0.648 . . . . 0.0 110.563 -172.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.69 -60.19 3.86 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.45 0.7 . . . . 0.0 110.681 171.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -34.86 70.19 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.964 0.802 . . . . 0.0 112.109 -175.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.3 t -56.55 -53.68 54.73 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.052 1.741 . . . . 0.0 112.629 173.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -60.11 -41.57 92.84 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.416 -0.803 . . . . 0.0 111.482 172.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 75.8 m -66.46 -24.47 66.44 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.3 mt -75.44 -48.19 23.87 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.312 1.045 . . . . 0.0 111.513 169.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 31.4 mt -50.84 -43.87 59.22 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.875 0.761 . . . . 0.0 111.783 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.6 m -66.82 -37.64 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 174.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 22.1 p -74.66 -32.16 62.16 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.745 1.611 . . . . 0.0 112.185 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.71 -51.21 70.73 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 121.719 0.771 . . . . 0.0 108.983 166.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.503 ' HB1' ' HD1' ' B' ' 116' ' ' HIS . . . -64.39 -24.35 67.61 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -178.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.67 -10.91 21.51 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 174.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -131.34 -36.11 1.3 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.7 mp -77.64 156.08 80.75 Favored Pre-proline 0 CA--C 1.56 1.343 0 CA-C-N 119.247 0.93 . . . . 0.0 111.53 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -54.41 -35.91 86.05 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 124.043 3.162 . . . . 0.0 116.351 -170.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -146.05 -48.12 0.21 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.553 1.141 . . . . 0.0 111.354 173.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 67.3 -9.1 0.42 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.37 1.468 . . . . 0.0 114.747 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -116.24 6.11 13.78 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -166.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.6 p -56.77 158.33 8.89 Favored Pre-proline 0 N--CA 1.47 0.566 0 C-N-CA 123.405 0.682 . . . . 0.0 111.088 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -50.66 -41.88 52.15 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.584 2.189 . . . . 0.0 113.957 172.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.66 -52.94 54.68 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.127 0.421 . . . . 0.0 111.612 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.5 t -72.58 -48.03 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 121.448 -0.783 . . . . 0.0 112.326 -172.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.05 -41.54 61.61 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.934 1.243 . . . . 0.0 113.065 -175.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.3 88.61 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 120.178 1.354 . . . . 0.0 110.694 174.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.1 t -57.23 -61.24 2.61 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 118.951 -0.547 . . . . 0.0 111.992 174.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.47 -41.42 98.59 Favored 'General case' 0 C--O 1.226 -0.165 0 CA-C-N 119.574 1.079 . . . . 0.0 113.558 -174.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.13 -48.24 80.84 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.82 1.191 . . . . 0.0 111.264 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.316 0.0 OUTLIER -82.99 -17.89 41.82 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -177.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -71.98 -46.45 57.29 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.58 1.152 . . . . 0.0 112.071 164.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.64 -33.43 72.78 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.495 -1.378 . . . . 0.0 110.719 170.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.7 97.01 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 168.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.2 p -69.33 -42.38 75.43 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 121.658 2.026 . . . . 0.0 112.792 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 75.6 t -53.08 -46.84 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.04 1.336 . . . . 0.0 110.551 167.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.44 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 42.9 t -59.38 -51.07 71.51 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 118.295 -0.86 . . . . 0.0 113.093 171.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 47.8 m -50.91 -36.09 36.54 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 120.321 1.418 . . . . 0.0 112.636 176.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 53.8 t -72.66 -49.31 41.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 121.54 -0.725 . . . . 0.0 112.295 170.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.38 -39.14 69.76 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.002 -1.061 . . . . 0.0 113.543 175.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 72.6 p -86.78 4.96 38.81 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.806 1.642 . . . . 0.0 113.437 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 CA--C 1.547 0.84 0 CA-C-O 121.89 0.852 . . . . 0.0 112.681 170.686 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . 0.479 HG12 ' HA ' ' B' ' 133' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.515 2.795 0 CA-C-O 119.357 -0.354 . . . . 0.0 110.803 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -132.16 74.3 1.58 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.868 1.267 . . . . 0.0 110.622 -170.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.74 157.62 9.21 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 121.46 -0.775 . . . . 0.0 110.974 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.544 ' HG1' ' H ' ' B' ' 7' ' ' GLU . 5.3 p -63.68 151.96 87.37 Favored Pre-proline 0 N--CA 1.479 0.982 0 CA-C-O 118.493 -0.765 . . . . 0.0 109.301 167.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -54.54 -37.11 90.37 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.367 2.045 . . . . 0.0 114.09 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -70.85 -44.46 66.38 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.262 0.625 . . . . 0.0 112.176 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.544 ' H ' ' HG1' ' B' ' 4' ' ' THR . 35.3 mt-10 -66.37 -38.43 87.56 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.326 -0.859 . . . . 0.0 111.6 174.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -57.1 -46.35 82.66 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.61 1.096 . . . . 0.0 111.108 172.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.4 t -58.23 -45.75 87.14 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.787 0.721 . . . . 0.0 111.036 173.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.88 -49.68 74.79 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 p -67.88 -50.75 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 119.4 1.0 . . . . 0.0 112.071 173.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.4 m -72.06 -35.77 69.4 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.955 0.798 . . . . 0.0 111.792 -168.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.23 -36.17 74.35 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.777 -1.202 . . . . 0.0 112.313 175.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -69.2 -38.64 78.73 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.21 -0.931 . . . . 0.0 110.649 172.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -55.01 -42.37 72.47 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.67 -0.644 . . . . 0.0 111.773 166.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.37 -26.65 44.95 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 126.558 2.028 . . . . 0.0 116.551 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.73 -3.65 14.93 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 119.5 1.65 . . . . 0.0 114.57 171.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.411 HG23 HG12 ' B' ' 23' ' ' VAL . 0.5 OUTLIER -57.49 136.4 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 124.147 0.979 . . . . 0.0 111.509 177.256 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -90.86 87.61 6.72 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 74.9 t -50.84 -38.97 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -165.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -71.7 -37.66 70.64 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 177.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -80.71 -55.41 4.85 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.126 0.57 . . . . 0.0 110.54 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.411 HG12 HG23 ' B' ' 18' ' ' VAL . 0.8 OUTLIER -60.0 -31.94 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 O-C-N 121.282 -0.886 . . . . 0.0 112.219 175.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.97 -44.02 31.84 Favored Glycine 0 C--N 1.343 0.958 0 CA-C-N 119.47 1.032 . . . . 0.0 111.991 176.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.83 -48.34 79.08 Favored Glycine 0 CA--C 1.525 0.667 0 CA-C-N 117.931 0.866 . . . . 0.0 112.594 169.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.68 -28.55 67.79 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 117.86 -1.067 . . . . 0.0 112.868 174.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.18 -64.21 0.9 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 121.555 1.98 . . . . 0.0 111.131 173.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.1 tp -67.55 -35.1 78.41 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.62 -0.675 . . . . 0.0 111.232 -175.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -52.65 -59.0 9.75 Favored Glycine 0 C--N 1.336 0.539 0 CA-C-O 118.191 -1.338 . . . . 0.0 111.416 163.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.459 ' HA ' HG22 ' B' ' 33' ' ' VAL . 0.5 OUTLIER -49.83 -43.6 48.88 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.751 1.775 . . . . 0.0 112.537 -179.702 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 16.2 tp -51.98 -51.8 54.76 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.973 1.715 . . . . 0.0 110.533 175.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 mp -83.9 -9.04 59.02 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 117.54 -1.219 . . . . 0.0 113.011 -176.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' B' ' 30' ' ' ARG . 2.0 m -75.32 -26.02 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 CA-C-N 121.215 1.825 . . . . 0.0 114.205 167.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.16 8.07 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 CA-C-N 121.042 1.746 . . . . 0.0 113.657 -176.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 47.96 39.5 0.59 Allowed Pre-proline 0 CA--C 1.559 1.312 0 C-N-CA 126.393 1.877 . . . . 0.0 115.455 -167.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -76.86 160.43 34.01 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.78 1.653 . . . . 0.0 112.228 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 9.6 p90 -54.05 -26.54 27.18 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.552 1.541 . . . . 0.0 113.938 169.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 16.3 p -59.91 -15.98 25.99 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 172.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -52.73 -20.78 3.41 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 166.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -48.08 -29.84 3.93 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 173.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.79 4.83 42.86 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -177.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -54.93 -17.61 3.91 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 -175.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -53.75 -31.62 49.18 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.479 1.112 . . . . 0.0 112.62 172.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.2 m -83.97 -2.16 56.03 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.261 1.424 . . . . 0.0 114.454 173.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -117.85 -27.14 6.28 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.084 1.354 . . . . 0.0 112.846 -169.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.44 -135.52 13.71 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-N 120.283 1.401 . . . . 0.0 113.448 175.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -46.86 95.33 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.14 2.176 . . . . 0.0 114.223 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 tt -147.29 -16.6 0.39 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -173.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -58.53 -12.93 4.52 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 -173.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 35.7 p -136.22 157.01 76.43 Favored Pre-proline 0 N--CA 1.474 0.727 0 C-N-CA 126.438 1.895 . . . . 0.0 111.099 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.76 -41.06 49.23 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.27 2.647 . . . . 0.0 114.828 -172.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.04 -37.33 81.21 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.785 -0.572 . . . . 0.0 112.479 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.18 -53.19 61.11 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.895 0.878 . . . . 0.0 112.476 -175.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -61.87 -27.81 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -175.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 32.6 ttm -84.25 -26.28 28.77 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.32 -31.82 10.24 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.03 0.824 . . . . 0.0 114.201 175.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -39.5 113.91 0.89 Allowed Pre-proline 0 CA--C 1.557 1.247 0 C-N-CA 128.414 2.686 . . . . 0.0 115.149 -176.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.3 -42.0 68.49 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 124.199 3.266 . . . . 0.0 114.778 175.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -65.66 -39.83 91.8 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.965 1.306 . . . . 0.0 111.885 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.34 -42.05 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.702 0.801 . . . . 0.0 111.298 171.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -63.83 -43.42 96.25 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.697 1.135 . . . . 0.0 112.352 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.92 -52.91 61.23 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.451 1.1 . . . . 0.0 112.862 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -63.68 -33.36 75.46 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.832 -1.168 . . . . 0.0 111.788 172.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.49 -49.92 66.15 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.749 1.166 . . . . 0.0 113.553 169.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -55.92 -41.56 74.77 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 118.076 0.938 . . . . 0.0 111.308 169.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -70.78 -48.0 56.59 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 117.968 -1.015 . . . . 0.0 113.575 -177.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 m -58.55 -40.05 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 CA-C-N 120.631 1.559 . . . . 0.0 110.774 172.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 2.8 tt -69.77 -33.2 72.07 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.671 -0.643 . . . . 0.0 112.44 176.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.4 -37.62 82.7 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 125.482 1.515 . . . . 0.0 113.237 167.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.79 -46.67 71.31 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.606 1.203 . . . . 0.0 111.861 170.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.406 ' CD2' HD22 ' B' ' 110' ' ' LEU . 21.5 m-85 -57.41 -38.61 74.61 Favored 'General case' 0 CA--C 1.55 0.965 0 O-C-N 120.876 -1.14 . . . . 0.0 112.528 174.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.5 p -78.44 -36.36 45.63 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -57.48 -36.19 71.17 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.38 0.991 . . . . 0.0 110.928 165.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.94 -60.14 9.23 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-O 119.523 -0.598 . . . . 0.0 111.824 166.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.9 mt -54.1 -27.0 30.2 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 176.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.01 -22.9 25.22 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.496 1.518 . . . . 0.0 114.7 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -140.12 38.04 1.93 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.299 1.44 . . . . 0.0 112.558 -169.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 65.1 mt -54.06 -23.2 12.86 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -174.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -64.1 -25.86 68.29 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.88 1.672 . . . . 0.0 114.828 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -157.26 86.75 0.96 Allowed 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.403 1.001 . . . . 0.0 113.138 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 43.0 mt -73.23 -29.34 62.71 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -69.73 -18.4 63.52 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.796 -1.19 . . . . 0.0 113.638 -176.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -93.85 -43.43 3.87 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.516 1.055 . . . . 0.0 113.299 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 23.2 p -65.27 -31.54 72.74 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 118.606 1.203 . . . . 0.0 112.987 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -105.83 12.13 31.13 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -176.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.1 -41.42 64.93 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 121.116 1.78 . . . . 0.0 113.547 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 22.0 p -66.31 -41.47 89.67 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.082 1.353 . . . . 0.0 112.865 173.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 44.2 mt -68.81 -35.69 77.31 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.386 0.675 . . . . 0.0 111.714 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 5.5 t -63.6 -45.83 88.56 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.381 1.072 . . . . 0.0 110.21 172.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -56.96 -48.68 77.78 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.1 -1.0 . . . . 0.0 112.23 171.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 51.1 tp -52.85 -56.15 17.89 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.983 0.811 . . . . 0.0 110.691 175.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -76.32 18.77 0.28 Allowed 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 83.9 m -135.58 -76.13 0.44 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.813 1.245 . . . . 0.0 110.866 171.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.55 -29.75 70.21 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.4 1.48 . . . . 0.0 113.908 -174.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -102.11 -39.77 7.13 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.287 1.035 . . . . 0.0 112.013 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.461 ' C ' ' H ' ' B' ' 98' ' ' VAL . 0.0 OUTLIER -142.49 79.25 1.65 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.667 1.587 . . . . 0.0 110.321 -176.065 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.29 30.11 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 125.706 1.602 . . . . 0.0 113.701 172.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' VAL . . . . . 0.461 ' H ' ' C ' ' B' ' 96' ' ' LEU . 77.0 t -41.23 137.34 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 129.261 3.024 . . . . 0.0 111.85 175.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -61.83 141.47 95.27 Favored Pre-proline 0 CA--C 1.553 1.085 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -173.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.71 -28.22 68.64 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.083 2.522 . . . . 0.0 114.696 -169.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -56.92 -37.1 70.98 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.997 -1.064 . . . . 0.0 112.095 173.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -59.01 -37.46 76.93 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 121.514 -0.741 . . . . 0.0 111.982 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -69.24 -45.97 68.46 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.776 0.83 . . . . 0.0 111.151 177.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -59.05 -42.48 90.38 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.709 0.404 . . . . 0.0 111.303 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.8 -43.77 98.19 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.809 0.844 . . . . 0.0 112.844 173.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.6 tt -61.57 -30.88 70.95 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.531 1.514 . . . . 0.0 111.719 170.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' GLY . . . . . 0.442 ' CA ' HG12 ' B' ' 134' ' ' VAL . . . -64.87 -55.47 22.03 Favored Glycine 0 CA--C 1.526 0.739 0 O-C-N 120.274 -1.516 . . . . 0.0 114.517 170.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -59.23 -20.99 58.78 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 117.961 0.881 . . . . 0.0 112.342 171.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 10.6 t -65.7 -56.27 15.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 O-C-N 119.849 -1.782 . . . . 0.0 112.107 166.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.406 HD22 ' CD2' ' B' ' 71' ' ' PHE . 58.8 tp -53.02 -51.15 62.62 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 118.934 0.788 . . . . 0.0 111.833 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 m -56.55 -37.17 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.354 -175.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 35.1 m -77.41 -37.8 51.09 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 117.333 -1.318 . . . . 0.0 112.954 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . 0.553 ' HA ' ' CD2' ' B' ' 116' ' ' HIS . 6.0 p -60.66 -32.5 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 CA-C-N 121.85 2.114 . . . . 0.0 112.773 174.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.448 HD13 ' CE2' ' B' ' 130' ' ' TYR . 28.1 mt -62.42 -40.5 96.77 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.703 -0.623 . . . . 0.0 110.978 171.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.34 -35.96 82.56 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 169.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . 0.553 ' CD2' ' HA ' ' B' ' 113' ' ' VAL . 6.8 m-70 -66.43 -32.8 74.4 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.012 0.925 . . . . 0.0 112.027 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -91.63 -37.64 12.94 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.627 0.771 . . . . 0.0 112.723 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -121.54 35.66 4.82 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.904 1.282 . . . . 0.0 113.237 -169.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -43.32 -47.23 6.84 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.956 1.741 . . . . 0.0 116.915 -173.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -23.21 67.27 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 118.426 1.113 . . . . 0.0 114.003 178.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -106.04 -3.46 21.58 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.192 1.797 . . . . 0.0 111.966 -177.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -78.75 64.5 3.76 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.014 1.326 . . . . 0.0 111.835 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 61.4 p -59.7 157.28 28.87 Favored Pre-proline 0 N--CA 1.478 0.931 0 C-N-CA 124.981 1.313 . . . . 0.0 112.185 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -43.41 -52.94 4.64 Favored 'Trans proline' 0 CA--C 1.548 1.21 0 C-N-CA 123.326 2.684 . . . . 0.0 115.286 173.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.88 -21.33 33.08 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.737 2.291 . . . . 0.0 115.851 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -57.14 -39.47 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 120.849 1.659 . . . . 0.0 111.401 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -68.53 -45.23 72.76 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 122.715 0.406 . . . . 0.0 111.38 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.87 -39.47 77.88 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.11 0.964 . . . . 0.0 112.738 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.98 -54.45 26.07 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.427 1.091 . . . . 0.0 111.564 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.448 ' CE2' HD13 ' B' ' 114' ' ' LEU . 8.1 m-85 -58.19 -44.62 88.14 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.411 -0.805 . . . . 0.0 111.904 173.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -54.64 -44.57 73.31 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.043 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -63.61 -49.64 72.53 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 120.022 1.283 . . . . 0.0 113.752 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . 0.479 ' HA ' HG12 ' B' ' 1' ' ' VAL . 8.7 p -62.53 -38.75 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 CA-C-N 119.689 1.132 . . . . 0.0 111.926 177.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . 0.442 HG12 ' CA ' ' B' ' 107' ' ' GLY . 60.8 t -67.06 -39.92 84.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 123.572 0.749 . . . . 0.0 112.334 176.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.37 98.08 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.193 0.906 . . . . 0.0 111.87 175.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.03 -45.21 95.57 Favored Glycine 0 CA--C 1.533 1.158 0 O-C-N 121.791 -0.568 . . . . 0.0 112.535 170.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 1.9 t -55.07 -52.4 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.875 0.87 . . . . 0.0 111.71 170.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.26 92.03 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.523 1.056 . . . . 0.0 112.058 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -57.44 -50.08 74.18 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.683 0.793 . . . . 0.0 111.501 173.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.93 99.14 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 177.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.22 -25.61 65.3 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.404 -1.435 . . . . 0.0 112.849 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.9 -3.63 58.79 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 171.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -49.16 -37.5 22.54 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -168.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -76.1 -3.71 37.53 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 46.9 p90 . . . . . 0 CA--C 1.551 0.999 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 176.339 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.513 2.717 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -146.78 161.28 40.99 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.978 1.311 . . . . 0.0 111.615 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -71.84 155.68 91.86 Favored Pre-proline 0 N--CA 1.481 1.095 0 C-N-CA 123.964 0.906 . . . . 0.0 112.229 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -67.93 -41.0 8.33 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.886 2.39 . . . . 0.0 114.26 -168.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.31 88.77 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.495 0.589 . . . . 0.0 112.015 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -56.7 -49.75 74.19 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.279 0.632 . . . . 0.0 111.032 176.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -55.61 -44.7 77.28 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.475 0.71 . . . . 0.0 110.848 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 85.3 m -59.46 -42.79 92.82 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.193 0.597 . . . . 0.0 111.487 177.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -64.79 -38.86 92.41 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.14 0.882 . . . . 0.0 112.07 174.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 95.6 t -62.29 -49.43 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 118.698 0.681 . . . . 0.0 111.194 173.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.61 -44.21 96.57 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.988 0.813 . . . . 0.0 111.372 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.34 -52.43 65.65 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.355 0.662 . . . . 0.0 111.503 175.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.19 -55.98 28.06 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.522 0.729 . . . . 0.0 112.038 177.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . 0.435 ' CZ3' HG12 ' C' ' 17' ' ' VAL . 20.3 t-105 -63.3 -28.89 70.33 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.47 -0.769 . . . . 0.0 112.899 -176.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.75 -43.63 91.85 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.421 1.01 . . . . 0.0 113.434 169.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -73.69 -31.58 63.51 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 118.576 1.188 . . . . 0.0 111.773 174.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.435 HG12 ' CZ3' ' C' ' 14' ' ' TRP . 90.6 t -67.69 -20.95 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.17 1.388 . . . . 0.0 113.327 176.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.6 139.62 2.47 Favored Glycine 0 CA--C 1.542 1.764 0 C-N-CA 124.934 1.254 . . . . 0.0 114.537 175.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 61.57 -35.79 0.11 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 128.308 2.643 . . . . 0.0 116.38 -168.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -75.69 -20.3 58.51 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.632 1.106 . . . . 0.0 113.604 174.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.45 -45.05 25.45 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.156 1.782 . . . . 0.0 115.095 -171.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.66 -35.56 91.25 Favored Glycine 0 N--CA 1.47 0.95 0 O-C-N 121.438 -0.789 . . . . 0.0 113.561 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -63.85 -46.88 83.0 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.156 0.982 . . . . 0.0 110.308 174.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -60.37 -39.97 89.13 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.481 0.712 . . . . 0.0 112.247 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.82 -48.53 83.34 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 118.694 0.679 . . . . 0.0 112.781 172.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.86 -46.3 89.74 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.187 0.994 . . . . 0.0 112.146 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -62.29 -40.01 94.84 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.581 -0.7 . . . . 0.0 112.64 173.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . 0.4 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -62.77 -39.89 95.61 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.257 0.935 . . . . 0.0 112.408 178.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 56.9 mt -65.49 -49.55 68.61 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.491 1.116 . . . . 0.0 111.865 173.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.35 -43.13 99.39 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.672 -0.643 . . . . 0.0 112.461 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -60.49 -46.66 89.32 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.294 -0.879 . . . . 0.0 111.899 172.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 38.3 ttp -54.24 -48.43 71.14 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.687 1.13 . . . . 0.0 112.03 173.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.93 -52.22 51.58 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.489 1.115 . . . . 0.0 112.99 176.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -85.88 -30.31 23.0 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -173.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 70.0 m -69.45 -28.24 65.94 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.428 1.013 . . . . 0.0 113.498 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -139.26 76.77 31.39 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 124.553 1.141 . . . . 0.0 109.684 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -48.91 -29.2 14.72 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 124.976 3.784 . . . . 0.0 116.891 -169.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 3.9 p -52.79 -35.96 57.52 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.67 1.188 . . . . 0.0 112.872 172.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 62.6 p -56.85 -27.06 59.76 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 176.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -28.78 66.28 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.624 1.102 . . . . 0.0 112.736 174.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.44 -23.12 56.63 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.49 1.116 . . . . 0.0 113.896 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.12 -38.27 79.21 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.011 0.368 . . . . 0.0 111.921 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 28.02 53.48 0.42 Allowed Pre-proline 0 CA--C 1.558 1.282 0 C-N-CA 128.669 2.787 . . . . 0.0 115.257 172.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.01 -57.37 0.16 Allowed 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 122.964 2.443 . . . . 0.0 113.389 -159.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -158.42 27.72 0.24 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.999 1.32 . . . . 0.0 112.693 171.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.78 173.78 11.19 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.938 1.295 . . . . 0.0 113.302 -175.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -141.56 158.41 43.88 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.413 1.485 . . . . 0.0 111.47 -177.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 19.3 mt -121.23 31.35 6.39 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.339 1.055 . . . . 0.0 112.081 -156.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 90.7 p -64.44 17.14 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 128.37 2.668 . . . . 0.0 117.438 -170.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 8.2 t60 69.86 127.89 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 128.731 2.812 . . . . 0.0 113.083 -172.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.78 20.4 75.88 Favored Glycine 0 CA--C 1.54 1.65 0 O-C-N 121.437 -0.79 . . . . 0.0 114.739 -174.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 13.9 t -57.4 125.86 24.71 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.296 1.438 . . . . 0.0 113.263 -176.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.81 -34.98 70.23 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.071 0.949 . . . . 0.0 112.666 173.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -71.12 -39.37 72.07 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.641 -0.662 . . . . 0.0 111.846 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.35 -42.33 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 119.043 0.838 . . . . 0.0 111.409 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -59.1 -49.31 78.35 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.149 0.98 . . . . 0.0 112.028 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.37 -47.01 91.35 Favored Glycine 0 N--CA 1.47 0.93 0 C-N-CA 124.211 0.91 . . . . 0.0 112.885 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -58.47 -40.54 82.99 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.492 -1.005 . . . . 0.0 111.755 172.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.24 -51.24 52.12 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.432 1.015 . . . . 0.0 113.609 171.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -57.03 -37.62 72.02 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 118.456 1.128 . . . . 0.0 113.255 171.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -69.68 -46.24 66.53 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.23 0.923 . . . . 0.0 112.312 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 91.1 t -56.21 -46.22 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 119.383 0.992 . . . . 0.0 110.495 171.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.97 -50.31 74.25 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -60.3 -40.54 90.85 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.795 0.725 . . . . 0.0 112.147 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.86 84.57 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 171.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.95 -45.67 84.78 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.498 -0.763 . . . . 0.0 111.268 170.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 28.6 m -55.72 -45.44 77.93 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 120.127 1.33 . . . . 0.0 112.045 173.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -57.37 -50.05 74.2 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.381 1.472 . . . . 0.0 111.5 172.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.76 77.84 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 174.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.24 -44.97 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 119.581 1.082 . . . . 0.0 110.825 173.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.13 -26.07 68.65 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.508 1.123 . . . . 0.0 113.469 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -130.6 34.67 4.11 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.315 1.446 . . . . 0.0 112.71 -174.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 12.1 p -58.95 -8.46 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -107.83 -2.33 20.03 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.607 1.563 . . . . 0.0 114.871 171.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -140.79 1.78 1.72 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.113 1.765 . . . . 0.0 113.926 -174.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 76' ' ' MET . . . . . . . . . . . . 0.31 0.0 OUTLIER -61.74 -19.62 0.55 Allowed Pre-proline 0 CA--C 1.545 0.763 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 -174.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -44.18 -32.83 5.28 Favored 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 123.502 2.802 . . . . 0.0 116.278 165.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -102.92 -34.55 8.91 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 172.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.86 -16.62 61.79 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 59.6 mt -110.16 17.05 21.38 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.488 1.515 . . . . 0.0 112.642 175.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 81.4 p -53.69 -43.16 68.72 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.643 1.111 . . . . 0.0 113.865 -175.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.11 -23.94 62.55 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.895 0.878 . . . . 0.0 113.349 173.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mt -95.34 -32.73 12.82 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.074 -1.016 . . . . 0.0 111.411 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 23.0 t -52.24 -42.78 63.91 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 157.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.73 -39.24 93.46 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.612 -1.305 . . . . 0.0 114.009 171.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.42 -39.3 67.21 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 120.341 1.428 . . . . 0.0 112.24 168.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -86.89 -18.09 31.71 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.52 -35.55 8.28 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -143.82 -54.95 0.37 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -54.13 -40.86 67.76 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 120.767 1.621 . . . . 0.0 113.631 -168.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 mt -136.48 -5.01 2.04 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 171.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 48.61 37.08 8.61 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 126.594 1.958 . . . . 0.0 115.161 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 45.0 t -47.68 124.41 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 126.082 1.753 . . . . 0.0 113.447 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.38 118.29 48.92 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 124.748 1.219 . . . . 0.0 112.605 176.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -46.78 -35.82 18.37 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 125.105 3.87 . . . . 0.0 116.628 -176.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 10.8 p -54.32 -34.83 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 O-C-N 120.981 -1.075 . . . . 0.0 112.901 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -64.07 -33.67 76.28 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.423 -0.798 . . . . 0.0 111.44 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' C' ' 133' ' ' SER . 0.0 OUTLIER -57.72 -44.98 86.36 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 120.969 -1.082 . . . . 0.0 110.482 170.82 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -60.95 -40.0 91.63 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.222 0.609 . . . . 0.0 110.492 -172.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.73 -60.13 3.93 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.365 0.666 . . . . 0.0 110.582 172.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -35.06 70.22 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.103 0.865 . . . . 0.0 112.182 -176.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 42.0 t -56.54 -53.72 54.2 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.062 1.745 . . . . 0.0 112.523 174.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -60.18 -41.52 93.07 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.432 -0.792 . . . . 0.0 111.516 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 104' ' ' CYS . . . . . 0.4 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 77.6 m -66.49 -24.38 66.4 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 27.1 mt -75.38 -48.46 22.83 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.685 1.13 . . . . 0.0 111.406 169.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 32.8 mt -50.51 -43.87 55.91 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.939 0.79 . . . . 0.0 111.777 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.12 -37.54 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 175.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 22.0 p -74.83 -32.08 61.85 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 120.806 1.639 . . . . 0.0 112.07 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.52 -51.5 69.59 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.233 0.924 . . . . 0.0 109.238 165.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . 0.48 ' HB1' ' HD1' ' D' ' 116' ' ' HIS . . . -64.15 -24.3 67.63 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -178.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.73 -10.77 21.29 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 174.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -131.4 -36.16 1.29 Allowed 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.7 mp -77.5 156.1 81.1 Favored Pre-proline 0 CA--C 1.559 1.308 0 CA-C-N 119.353 0.979 . . . . 0.0 111.559 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -54.29 -36.22 86.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 124.065 3.177 . . . . 0.0 116.254 -170.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.81 -48.11 0.21 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.468 1.107 . . . . 0.0 111.361 173.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 67.19 -9.25 0.4 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -116.02 6.17 14.04 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -166.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 3.7 p -56.78 158.38 8.83 Favored Pre-proline 0 N--CA 1.47 0.564 0 C-N-CA 123.278 0.631 . . . . 0.0 111.21 -178.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -50.63 -41.83 52.12 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.668 2.245 . . . . 0.0 113.999 172.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.49 -53.28 50.69 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.213 0.46 . . . . 0.0 111.696 174.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 44.5 t -72.5 -48.02 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 O-C-N 121.469 -0.769 . . . . 0.0 112.369 -172.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -41.72 61.77 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.958 1.254 . . . . 0.0 112.984 -175.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.8 -46.54 87.35 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.382 1.446 . . . . 0.0 110.665 174.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 45.8 t -57.19 -61.1 2.71 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 118.986 -0.53 . . . . 0.0 112.119 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.38 -41.69 98.8 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 119.513 1.051 . . . . 0.0 113.551 -175.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.9 -48.19 80.58 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 119.772 1.169 . . . . 0.0 111.357 177.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . 0.32 0.0 OUTLIER -83.08 -18.01 41.13 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -71.76 -46.61 57.87 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.466 1.106 . . . . 0.0 112.082 164.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.42 -33.51 72.61 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 120.416 -1.427 . . . . 0.0 110.842 170.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.56 97.07 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 168.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 90.8 p -69.38 -42.56 75.02 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 121.708 2.049 . . . . 0.0 112.743 176.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 75.3 t -53.03 -46.74 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.943 1.297 . . . . 0.0 110.502 167.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 133' ' ' SER . . . . . 0.435 ' HB2' ' CE1' ' C' ' 98' ' ' PHE . 43.1 t -59.52 -51.01 71.69 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 118.146 -0.931 . . . . 0.0 113.106 171.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 47.5 m -50.82 -36.15 35.82 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.457 1.48 . . . . 0.0 112.616 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 54.7 t -72.66 -49.32 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 O-C-N 121.594 -0.691 . . . . 0.0 112.26 170.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.35 -39.11 69.65 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.479 1.036 . . . . 0.0 113.46 175.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 72.8 p -86.8 4.87 39.24 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 125.931 1.692 . . . . 0.0 113.366 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 CA--C 1.546 0.796 0 CA-C-O 121.961 0.886 . . . . 0.0 112.7 170.686 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . 0.477 HG12 ' HA ' ' D' ' 133' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.515 2.792 0 CA-C-O 119.34 -0.362 . . . . 0.0 110.714 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -132.14 74.27 1.57 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.884 1.274 . . . . 0.0 110.663 -171.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.76 157.59 9.27 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 121.301 -0.875 . . . . 0.0 111.016 176.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.531 ' HG1' ' H ' ' D' ' 7' ' ' GLU . 5.4 p -63.53 151.9 86.96 Favored Pre-proline 0 N--CA 1.479 1.008 0 CA-C-O 118.553 -0.737 . . . . 0.0 109.306 167.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.63 -37.11 91.08 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.369 2.046 . . . . 0.0 114.017 175.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -70.78 -44.61 66.32 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.303 0.641 . . . . 0.0 112.161 177.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 7' ' ' GLU . . . . . 0.531 ' H ' ' HG1' ' D' ' 4' ' ' THR . 35.1 mt-10 -66.28 -38.44 87.79 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.315 -0.866 . . . . 0.0 111.56 174.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -57.0 -46.36 82.33 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.672 1.123 . . . . 0.0 111.279 172.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 21.6 t -58.33 -45.71 87.58 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.651 0.66 . . . . 0.0 110.912 173.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.76 -49.65 74.65 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 6.5 p -67.86 -50.69 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 CA-C-N 119.36 0.982 . . . . 0.0 112.098 173.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 10.0 m -72.11 -36.06 69.34 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.991 0.814 . . . . 0.0 111.788 -168.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.11 -36.14 74.64 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.762 -1.211 . . . . 0.0 112.219 175.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -69.15 -38.74 78.95 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.334 -0.854 . . . . 0.0 110.608 172.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -55.1 -42.17 72.57 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.678 -0.639 . . . . 0.0 111.742 166.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.41 -26.81 45.75 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 126.636 2.065 . . . . 0.0 116.466 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 -3.62 15.05 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 119.56 1.68 . . . . 0.0 114.51 171.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.414 HG22 HG12 ' D' ' 23' ' ' VAL . 0.5 OUTLIER -57.51 136.31 20.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 124.277 1.031 . . . . 0.0 111.41 177.328 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -90.78 87.62 6.75 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 74.2 t -50.8 -38.96 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -165.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -71.74 -37.58 70.56 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 177.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -80.8 -55.17 4.99 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.091 0.556 . . . . 0.0 110.589 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . 0.414 HG12 HG22 ' D' ' 18' ' ' VAL . 0.8 OUTLIER -60.33 -32.01 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 121.169 -0.957 . . . . 0.0 112.077 176.1 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.96 -43.78 32.81 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-N 119.422 1.01 . . . . 0.0 112.105 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.15 -48.14 82.13 Favored Glycine 0 N--CA 1.466 0.69 0 CA-C-N 118.083 0.942 . . . . 0.0 112.604 168.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.8 -28.67 67.79 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 117.837 -1.078 . . . . 0.0 112.802 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.28 -63.9 0.97 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 121.562 1.983 . . . . 0.0 111.175 173.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 23.1 tp -67.67 -35.21 78.43 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.499 -0.751 . . . . 0.0 111.305 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -52.52 -58.9 9.93 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-O 118.125 -1.375 . . . . 0.0 111.523 163.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' ARG . . . . . 0.474 ' HA ' HG23 ' D' ' 33' ' ' VAL . 0.5 OUTLIER -49.98 -43.53 50.37 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.658 1.729 . . . . 0.0 112.533 -179.624 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 16.2 tp -52.02 -51.73 55.48 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.951 1.705 . . . . 0.0 110.559 175.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 mp -83.89 -9.16 58.94 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 117.555 -1.212 . . . . 0.0 113.058 -176.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 33' ' ' VAL . . . . . 0.474 HG23 ' HA ' ' D' ' 30' ' ' ARG . 2.0 m -75.2 -26.05 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 121.212 1.824 . . . . 0.0 114.237 167.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.16 8.22 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-N 121.021 1.737 . . . . 0.0 113.752 -176.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 47.66 39.52 0.59 Allowed Pre-proline 0 CA--C 1.559 1.301 0 C-N-CA 126.489 1.916 . . . . 0.0 115.477 -167.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -76.52 160.59 35.03 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.762 1.642 . . . . 0.0 112.241 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 9.5 p90 -54.38 -26.3 29.45 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.726 1.611 . . . . 0.0 113.897 169.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 16.4 p -59.93 -15.94 25.86 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 171.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -52.92 -20.74 3.59 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 166.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . 0.429 ' HE ' ' HH ' ' A' ' 42' ' ' TYR . 7.5 ptm180 -48.11 -29.77 3.92 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 173.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.05 5.14 42.46 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -177.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -55.05 -17.59 4.14 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -175.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -53.71 -31.68 49.03 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.424 1.09 . . . . 0.0 112.617 172.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 74.9 m -83.98 -2.07 55.88 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.224 1.409 . . . . 0.0 114.359 173.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -118.01 -27.04 6.24 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.164 1.386 . . . . 0.0 112.927 -169.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.36 -135.33 13.53 Favored Glycine 0 CA--C 1.534 1.28 0 CA-C-N 120.096 1.316 . . . . 0.0 113.449 175.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -47.12 95.48 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.2 2.2 . . . . 0.0 114.197 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 tt -147.36 -16.73 0.39 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -173.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -58.59 -12.78 4.45 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.675 1.732 . . . . 0.0 115.675 -173.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 35.4 p -136.31 156.83 76.43 Favored Pre-proline 0 N--CA 1.473 0.686 0 C-N-CA 126.484 1.914 . . . . 0.0 111.002 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.66 -41.15 49.49 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.211 2.608 . . . . 0.0 114.888 -172.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.94 -37.24 81.37 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.727 -0.608 . . . . 0.0 112.616 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.34 -53.16 61.42 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.912 0.885 . . . . 0.0 112.347 -175.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -61.9 -27.64 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -175.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 32.5 ttm -84.3 -26.22 28.7 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.48 -31.67 10.21 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 123.892 0.758 . . . . 0.0 114.078 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -39.4 113.83 0.87 Allowed Pre-proline 0 CA--C 1.557 1.25 0 C-N-CA 128.48 2.712 . . . . 0.0 115.173 -177.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.27 -41.95 68.76 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 124.161 3.241 . . . . 0.0 114.781 175.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -65.66 -39.87 91.81 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.008 1.323 . . . . 0.0 111.865 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 69.4 t -64.45 -41.94 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 123.647 0.779 . . . . 0.0 111.288 171.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -63.86 -43.46 96.02 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.78 1.173 . . . . 0.0 112.313 173.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.94 -52.81 61.58 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.433 1.093 . . . . 0.0 112.788 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -63.79 -33.24 75.23 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 120.963 -1.086 . . . . 0.0 111.845 173.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.68 -49.83 67.46 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.712 1.149 . . . . 0.0 113.497 169.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -55.96 -41.37 74.62 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.12 0.96 . . . . 0.0 111.419 169.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -71.11 -47.71 56.53 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 6.5 m -58.49 -40.14 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-N 120.709 1.595 . . . . 0.0 110.696 172.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 2.9 tt -69.86 -33.2 71.94 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.596 -0.69 . . . . 0.0 112.439 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.53 -37.72 83.9 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 125.494 1.521 . . . . 0.0 113.149 167.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.63 -46.72 71.68 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.532 1.166 . . . . 0.0 111.854 170.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . 0.411 ' CD2' HD22 ' D' ' 110' ' ' LEU . 21.6 m-85 -57.43 -38.69 74.77 Favored 'General case' 0 CA--C 1.551 0.99 0 O-C-N 121.062 -1.024 . . . . 0.0 112.513 174.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 79.5 p -78.33 -36.54 46.17 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -57.16 -36.38 70.68 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.446 1.021 . . . . 0.0 110.951 165.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.91 -60.15 9.2 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-O 119.52 -0.6 . . . . 0.0 111.832 166.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mt -53.97 -27.21 29.97 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 176.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.75 -23.04 25.61 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.507 1.523 . . . . 0.0 114.725 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -139.93 38.08 1.97 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.381 1.472 . . . . 0.0 112.592 -169.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 65.6 mt -53.99 -23.26 12.67 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -174.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -64.26 -25.73 68.19 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.788 1.635 . . . . 0.0 114.779 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -157.39 86.66 0.95 Allowed 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.493 1.042 . . . . 0.0 113.059 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.25 -29.33 62.69 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -69.64 -18.43 63.59 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 120.927 -1.108 . . . . 0.0 113.743 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -93.78 -43.22 3.95 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 124.575 1.083 . . . . 0.0 113.422 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 22.6 p -65.36 -31.72 72.99 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 118.617 1.209 . . . . 0.0 112.894 175.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -105.8 12.25 31.04 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -176.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.12 -41.59 65.18 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 121.243 1.838 . . . . 0.0 113.421 -177.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 22.0 p -66.12 -41.61 90.28 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.15 1.38 . . . . 0.0 112.812 173.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 44.3 mt -68.68 -35.86 77.76 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.564 0.745 . . . . 0.0 111.764 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 5.5 t -63.62 -45.89 88.24 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 124.423 1.089 . . . . 0.0 110.054 172.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -56.98 -48.69 77.82 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.065 -1.022 . . . . 0.0 112.184 171.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 51.4 tp -52.82 -56.12 18.08 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.997 0.817 . . . . 0.0 110.724 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -76.44 18.87 0.28 Allowed 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 84.0 m -135.66 -76.18 0.44 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.771 1.228 . . . . 0.0 110.902 171.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.37 -29.87 70.18 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.416 1.486 . . . . 0.0 113.872 -175.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -102.19 -39.69 7.13 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.071 0.949 . . . . 0.0 111.931 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . 0.46 ' C ' ' H ' ' D' ' 98' ' ' VAL . 0.0 OUTLIER -142.31 79.17 1.65 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.795 1.638 . . . . 0.0 110.444 -176.054 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -67.25 30.12 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 125.635 1.574 . . . . 0.0 113.735 172.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 98' ' ' VAL . . . . . 0.46 ' H ' ' C ' ' D' ' 96' ' ' LEU . 77.6 t -41.2 137.27 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 129.295 3.038 . . . . 0.0 111.759 175.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -61.77 141.47 95.15 Favored Pre-proline 0 CA--C 1.554 1.125 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -173.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -63.89 -28.23 67.14 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.003 2.469 . . . . 0.0 114.626 -169.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -56.68 -37.23 70.56 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.058 -1.026 . . . . 0.0 112.058 173.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -59.16 -37.29 76.99 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.47 -0.769 . . . . 0.0 111.824 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -69.29 -45.96 68.35 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.892 0.877 . . . . 0.0 111.241 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -59.13 -42.39 90.53 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.906 0.482 . . . . 0.0 111.266 175.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.79 -43.85 98.02 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.835 0.854 . . . . 0.0 113.052 173.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 2.6 tt -61.28 -31.03 70.85 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.403 1.456 . . . . 0.0 111.757 170.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 107' ' ' GLY . . . . . 0.443 ' CA ' HG13 ' D' ' 134' ' ' VAL . . . -64.96 -55.35 22.53 Favored Glycine 0 CA--C 1.526 0.728 0 O-C-N 120.174 -1.579 . . . . 0.0 114.683 170.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -59.26 -21.18 59.22 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.734 -0.862 . . . . 0.0 112.308 171.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 10.9 t -65.68 -56.19 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 O-C-N 119.932 -1.73 . . . . 0.0 112.245 166.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . 0.411 HD22 ' CD2' ' D' ' 71' ' ' PHE . 59.4 tp -53.0 -51.15 62.57 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 119.164 0.893 . . . . 0.0 111.542 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 m -56.5 -37.24 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.305 -175.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 35.4 m -77.54 -37.62 50.42 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-O 117.193 -1.384 . . . . 0.0 112.896 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 113' ' ' VAL . . . . . 0.552 ' HA ' ' CD2' ' D' ' 116' ' ' HIS . 6.0 p -60.67 -32.69 52.38 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 CA-C-N 121.89 2.132 . . . . 0.0 112.789 173.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 114' ' ' LEU . . . . . 0.447 HD13 ' CE2' ' D' ' 130' ' ' TYR . 28.0 mt -62.24 -40.57 96.6 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.647 -0.658 . . . . 0.0 110.995 171.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.85 82.19 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.445 0.905 . . . . 0.0 113.445 169.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 116' ' ' HIS . . . . . 0.552 ' CD2' ' HA ' ' D' ' 113' ' ' VAL . 6.8 m-70 -66.42 -32.86 74.51 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.081 0.953 . . . . 0.0 111.959 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -91.63 -37.61 12.96 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.719 0.808 . . . . 0.0 112.698 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -121.73 35.81 4.79 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.742 1.217 . . . . 0.0 113.18 -169.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -43.26 -47.55 6.75 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 126.064 1.792 . . . . 0.0 116.813 -173.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -23.22 67.3 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 178.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.13 -3.31 21.61 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.22 1.808 . . . . 0.0 112.106 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -78.86 64.51 3.84 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.13 1.372 . . . . 0.0 111.911 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 60.0 p -59.44 157.38 25.62 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 125.09 1.356 . . . . 0.0 112.126 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -43.87 -52.67 5.22 Favored 'Trans proline' 0 CA--C 1.547 1.17 0 C-N-CA 123.247 2.631 . . . . 0.0 115.225 173.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -69.94 -21.57 32.47 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.794 2.329 . . . . 0.0 115.662 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 1.1 t -56.77 -39.49 64.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 120.997 1.726 . . . . 0.0 111.581 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -68.59 -45.31 72.35 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 122.737 0.415 . . . . 0.0 111.348 176.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.3 77.78 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.002 0.921 . . . . 0.0 112.663 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.13 -54.4 26.01 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.391 1.076 . . . . 0.0 111.566 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 130' ' ' TYR . . . . . 0.447 ' CE2' HD13 ' D' ' 114' ' ' LEU . 8.0 m-85 -58.24 -44.64 88.37 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.487 -0.758 . . . . 0.0 111.837 173.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -54.55 -44.54 72.97 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.563 -0.732 . . . . 0.0 112.157 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -63.59 -49.7 72.34 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.965 1.257 . . . . 0.0 113.711 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . 0.477 ' HA ' HG12 ' D' ' 1' ' ' VAL . 8.9 p -62.44 -38.82 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-N 119.667 1.121 . . . . 0.0 111.914 177.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 134' ' ' VAL . . . . . 0.443 HG13 ' CA ' ' D' ' 107' ' ' GLY . 61.6 t -67.13 -39.86 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 123.466 0.706 . . . . 0.0 112.349 176.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.62 -41.36 98.29 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.366 0.985 . . . . 0.0 111.909 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.21 -45.21 95.7 Favored Glycine 0 CA--C 1.533 1.176 0 O-C-N 121.915 -0.491 . . . . 0.0 112.534 170.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 1.9 t -54.83 -52.64 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.883 0.873 . . . . 0.0 111.73 170.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.4 91.1 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.577 1.081 . . . . 0.0 112.183 -178.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -57.35 -50.11 74.01 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.71 0.804 . . . . 0.0 111.492 172.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.89 99.09 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 13.9 mt -68.18 -25.6 65.33 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.282 -1.512 . . . . 0.0 112.827 175.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.93 -3.5 58.75 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 171.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -49.34 -37.49 24.73 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -168.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -75.99 -3.71 37.14 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -142.14 3.25 1.56 Allowed 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.259 1.554 0 C-N-CA 126.383 1.873 . . . . 0.0 115.652 -175.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.509 2.493 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.8 mt -136.19 -179.13 5.49 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.739 1.616 . . . . 0.0 111.276 -173.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -112.47 166.09 11.7 Favored Pre-proline 0 N--CA 1.479 1.008 0 C-N-CA 126.097 1.759 . . . . 0.0 110.54 -172.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -78.62 -42.55 0.2 Allowed 'Trans proline' 0 CA--C 1.538 0.694 0 CA-C-N 121.583 1.601 . . . . 0.0 113.134 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.27 -33.48 75.4 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.05 -43.22 81.77 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.18 0.446 . . . . 0.0 110.964 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -55.95 -48.79 75.12 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.45 1.1 . . . . 0.0 110.954 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -56.83 -44.78 82.39 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.639 0.776 . . . . 0.0 111.437 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -67.89 -39.44 83.64 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.691 0.678 . . . . 0.0 112.482 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.7 t -61.99 -51.61 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.716 0.806 . . . . 0.0 110.654 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -60.44 -42.81 96.86 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.748 0.704 . . . . 0.0 111.179 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.9 -50.25 73.98 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.207 0.603 . . . . 0.0 111.685 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.35 -54.17 44.36 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.549 0.613 . . . . 0.0 111.975 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -63.01 -26.32 68.8 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -176.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.83 -38.56 94.19 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.445 1.022 . . . . 0.0 113.78 168.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.2 mmtt -73.72 -33.07 64.2 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 118.088 0.944 . . . . 0.0 111.673 173.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.463 HG13 ' CD2' ' A' ' 24' ' ' TYR . 99.9 t -68.85 -24.78 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.539 1.536 . . . . 0.0 113.092 176.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.77 125.41 1.75 Allowed Glycine 0 CA--C 1.541 1.69 0 C-N-CA 125.133 1.349 . . . . 0.0 114.13 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 77.33 -38.68 0.29 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 128.997 2.919 . . . . 0.0 114.655 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -74.77 -17.66 60.6 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.152 0.981 . . . . 0.0 113.152 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.417 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -44.85 -49.75 10.69 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.155 2.182 . . . . 0.0 114.754 -172.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.41 -37.44 94.82 Favored Glycine 0 N--CA 1.469 0.865 0 O-C-N 121.957 -0.464 . . . . 0.0 113.594 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -41.94 83.74 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.709 0.804 . . . . 0.0 111.067 175.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.463 ' CD2' HG13 ' A' ' 17' ' ' VAL . 14.8 m-30 -63.91 -39.6 94.55 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.276 0.943 . . . . 0.0 112.233 174.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.39 -59.16 11.35 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 123.708 0.67 . . . . 0.0 111.607 170.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.63 -52.3 40.85 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.466 1.506 . . . . 0.0 112.716 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.16 -38.16 79.06 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.961 1.304 . . . . 0.0 112.398 175.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.28 82.34 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.188 0.904 . . . . 0.0 112.307 177.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 mt -62.61 -47.92 81.67 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.324 0.511 . . . . 0.0 110.286 170.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -46.93 87.46 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.415 0.686 . . . . 0.0 111.131 -177.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -54.81 -50.73 67.84 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.877 1.271 . . . . 0.0 111.397 169.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 49.8 ttp -57.14 -44.29 83.25 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.513 1.052 . . . . 0.0 112.084 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.79 -23.08 65.98 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.7 mt -98.32 -40.97 8.07 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.867 0.867 . . . . 0.0 110.7 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.9 m -77.29 -18.75 57.28 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.881 2.073 . . . . 0.0 113.588 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -140.38 80.54 19.1 Favored Pre-proline 0 CA--C 1.537 0.471 0 C-N-CA 126.003 1.721 . . . . 0.0 108.849 174.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -45.91 -26.53 3.43 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 124.434 3.423 . . . . 0.0 114.36 174.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.7 m -41.16 -29.4 0.12 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.292 2.237 . . . . 0.0 115.991 164.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.8 p -80.99 -25.56 37.19 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 122.908 2.594 . . . . 0.0 113.926 175.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -56.71 -35.05 68.08 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 119.975 1.262 . . . . 0.0 111.753 168.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.82 -19.47 64.1 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 175.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.35 0.72 3.58 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.029 -1.045 . . . . 0.0 113.632 171.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.7 t80 59.8 60.29 4.34 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 125.653 1.581 . . . . 0.0 112.373 171.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -59.22 136.96 76.03 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 124.006 3.137 . . . . 0.0 113.307 -167.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -78.16 13.99 1.3 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.796 1.238 . . . . 0.0 113.777 175.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -139.56 151.83 46.39 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.885 1.674 . . . . 0.0 111.406 -173.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -83.05 146.97 28.42 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.294 0.638 . . . . 0.0 111.324 169.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.8 28.34 1.16 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.972 0.909 . . . . 0.0 113.429 -172.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.5 p -62.62 -56.81 14.35 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.247 1.019 . . . . 0.0 112.667 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -163.86 141.08 7.04 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.259 1.824 . . . . 0.0 110.863 172.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.77 25.64 59.19 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 116.44 1.336 . . . . 0.0 116.44 168.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.9 t -55.79 133.42 51.04 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.177 1.391 . . . . 0.0 114.338 -170.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.43 -27.14 65.79 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.197 1.399 . . . . 0.0 113.513 172.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -84.72 -40.49 17.26 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.4 0.68 . . . . 0.0 111.341 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.7 t -65.19 -41.03 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-O 118.639 -0.696 . . . . 0.0 112.095 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -61.47 -40.34 94.19 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 119.908 1.231 . . . . 0.0 112.942 174.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.38 -52.42 31.21 Favored Glycine 0 N--CA 1.472 1.063 0 C-N-CA 124.354 0.978 . . . . 0.0 112.222 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.26 -40.8 74.78 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.039 0.935 . . . . 0.0 111.941 173.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.49 -49.51 68.79 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 124.036 0.826 . . . . 0.0 113.328 172.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -55.49 -41.72 73.44 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.533 1.166 . . . . 0.0 112.262 171.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -61.38 -50.88 71.11 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.316 0.962 . . . . 0.0 112.166 175.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.4 t -57.7 -42.45 81.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 CA-C-N 119.326 0.967 . . . . 0.0 110.92 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.417 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -62.7 -47.23 84.55 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 176.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -61.18 -38.38 86.33 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.377 0.99 . . . . 0.0 111.929 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.0 99.9 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.742 -0.599 . . . . 0.0 112.422 171.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.57 -45.09 92.86 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.302 170.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.0 m -56.11 -45.41 79.48 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.761 1.164 . . . . 0.0 111.722 172.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -27.72 67.13 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 120.344 1.429 . . . . 0.0 112.769 176.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.01 -45.9 69.34 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.244 0.929 . . . . 0.0 111.413 169.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.8 t -59.73 -46.83 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 119.808 1.186 . . . . 0.0 111.368 174.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.81 -26.13 67.92 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.86 1.264 . . . . 0.0 113.949 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -130.66 32.71 4.35 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.858 1.263 . . . . 0.0 111.002 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.7 p -60.78 -20.96 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -164.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.43 6.59 26.39 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 119.752 1.16 . . . . 0.0 113.359 170.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -141.26 29.32 1.81 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 128.031 2.533 . . . . 0.0 110.832 -165.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -112.81 40.07 0.21 Allowed Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 125.243 1.417 . . . . 0.0 114.587 -175.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -64.7 -29.05 60.13 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 CA-C-N 122.935 2.084 . . . . 0.0 113.257 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -130.25 -0.3 4.58 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.86 -16.18 63.7 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.115 -1.615 . . . . 0.0 114.344 -174.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.8 mt -104.1 13.52 32.3 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.966 1.306 . . . . 0.0 111.835 169.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.6 t -57.93 -41.99 83.9 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 119.948 1.249 . . . . 0.0 112.208 -172.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.25 -27.21 44.81 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 172.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.2 mt -87.82 -38.46 15.69 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.427 1.091 . . . . 0.0 110.517 -178.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.7 p -64.61 -33.75 76.67 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 168.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -62.01 -48.11 81.78 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.955 1.302 . . . . 0.0 110.779 170.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.6 tp -53.33 -44.47 68.48 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 121.284 -0.885 . . . . 0.0 112.033 169.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -76.88 18.03 0.38 Allowed 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 125.711 1.604 . . . . 0.0 114.105 175.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.34 -46.08 0.17 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -176.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -59.15 -35.29 73.24 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.61 1.164 . . . . 0.0 111.571 172.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -144.56 -172.05 3.73 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 128.672 2.789 . . . . 0.0 109.114 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 82.3 mt 27.1 73.31 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.077 2.151 . . . . 0.0 114.208 167.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -38.57 -54.62 1.51 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.209 1.403 . . . . 0.0 112.714 -177.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 98.6 t 48.06 71.82 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 122.809 1.29 . . . . 0.0 111.13 176.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -58.7 147.21 71.99 Favored Pre-proline 0 CA--C 1.544 0.743 0 O-C-N 120.725 -1.234 . . . . 0.0 112.313 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.81 -24.52 31.16 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 123.531 2.821 . . . . 0.0 115.197 -168.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 18.1 t -39.53 -52.28 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.996 1.318 . . . . 0.0 112.036 165.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -57.29 -39.95 76.81 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -40.11 78.98 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.959 178.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -61.2 -42.08 97.95 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.551 0.614 . . . . 0.0 110.044 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.8 mt -59.06 -55.96 28.4 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.333 1.053 . . . . 0.0 109.245 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -34.02 72.02 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 122.803 0.441 . . . . 0.0 112.07 176.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.8 m -68.79 -39.18 80.28 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.937 -1.102 . . . . 0.0 113.471 176.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -59.4 -44.2 92.87 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.322 -0.861 . . . . 0.0 110.407 167.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 73.2 m -63.11 -32.36 73.73 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 174.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.7 mt -69.99 -48.62 57.45 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.646 1.178 . . . . 0.0 111.728 170.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.0 mt -53.18 -41.71 65.51 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.357 -0.839 . . . . 0.0 110.308 174.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 27.1 t -58.22 -48.58 84.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.033 0.933 . . . . 0.0 113.168 171.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.2 p -67.72 -35.28 78.48 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 120.266 1.394 . . . . 0.0 112.454 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.05 -48.37 82.0 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.59 0.632 . . . . 0.0 110.119 171.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.2 68.9 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.25 -6.63 10.11 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 176.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -139.04 -44.9 0.47 Allowed 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.792 1.178 . . . . 0.0 114.079 -175.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.8 mp -78.0 141.8 63.69 Favored Pre-proline 0 CA--C 1.559 1.297 0 CA-C-O 116.482 -1.723 . . . . 0.0 108.004 169.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -54.14 -122.5 0.0 OUTLIER 'Trans proline' 0 CA--C 1.555 1.547 1 C-N-CA 126.677 4.918 . . . . 0.0 117.446 -177.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.34 54.31 0.05 Allowed 'General case' 0 CA--C 1.543 0.696 0 O-C-N 118.98 -2.325 . . . . 0.0 110.465 159.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.31 -19.7 9.35 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.511 -1.368 . . . . 0.0 112.768 -178.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.76 37.81 1.27 Allowed 'General case' 0 N--CA 1.434 -1.234 0 C-N-CA 126.308 1.843 . . . . 0.0 113.231 176.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.507 ' HG1' ' H ' ' A' ' 121' ' ' VAL . 1.1 p -53.67 160.03 2.23 Favored Pre-proline 0 N--CA 1.475 0.797 0 O-C-N 120.948 -1.095 . . . . 0.0 110.19 169.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -47.25 -44.94 23.26 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.097 1.865 . . . . 0.0 115.106 169.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.16 -54.33 35.47 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.497 0.59 . . . . 0.0 110.931 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.507 ' H ' ' HG1' ' A' ' 118' ' ' THR . 14.0 t -76.89 -34.09 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.401 -0.812 . . . . 0.0 112.935 -168.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -73.43 -48.75 31.26 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.971 1.308 . . . . 0.0 112.349 175.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.15 -47.94 79.93 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 118.791 0.723 . . . . 0.0 109.687 173.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.0 t -53.92 -61.81 2.06 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 123.959 0.904 . . . . 0.0 112.51 174.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 59.2 mt -60.66 -42.83 97.82 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.964 1.256 . . . . 0.0 112.049 -175.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.86 -43.21 93.71 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 120.123 1.329 . . . . 0.0 112.175 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -30.12 61.9 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.301 0.955 . . . . 0.0 113.172 177.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -61.46 -58.93 6.19 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 124.718 1.207 . . . . 0.0 109.923 169.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.25 -42.79 70.32 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.506 0.722 . . . . 0.0 110.756 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.57 -42.69 75.07 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.051 1.296 . . . . 0.0 112.664 173.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.7 m -70.4 -32.22 69.77 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 171.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 83.3 t -55.2 -50.3 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 120.237 1.38 . . . . 0.0 108.831 167.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.5 t -58.37 -49.02 78.73 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.103 0.961 . . . . 0.0 113.278 174.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 96.7 m -51.37 -46.01 62.63 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.067 0.849 . . . . 0.0 110.695 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 79.9 t -68.16 -41.67 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 O-C-N 121.47 -0.769 . . . . 0.0 112.194 174.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -6.21 3.32 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 120.395 -1.441 . . . . 0.0 113.15 171.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 61.8 m -116.42 -20.78 9.55 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.995 2.118 . . . . 0.0 112.047 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.474 0.74 0 C-N-CA 125.182 1.393 . . . . 0.0 112.006 -172.908 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.289 2.5 p . . . . . 0 N--CA 1.515 2.816 0 CA-C-O 117.498 -1.239 . . . . 0.0 113.209 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 9.19 75.08 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 129.191 2.996 . . . . 0.0 116.263 -172.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.85 154.32 34.01 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.846 -0.534 . . . . 0.0 112.013 -170.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.44 145.74 96.93 Favored Pre-proline 0 N--CA 1.482 1.169 0 CA-C-O 118.133 -0.937 . . . . 0.0 109.76 168.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -52.22 -39.55 71.5 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 123.466 2.777 . . . . 0.0 115.943 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.73 -41.27 79.22 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.026 0.83 . . . . 0.0 111.828 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -67.61 -42.99 81.52 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 118.807 -0.616 . . . . 0.0 111.001 176.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -53.95 -53.85 47.07 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.271 1.029 . . . . 0.0 110.82 168.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.5 t -53.58 -46.11 70.22 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.412 0.551 . . . . 0.0 111.442 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.02 -53.28 60.22 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 175.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -63.71 -49.05 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 119.914 1.234 . . . . 0.0 111.839 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -71.47 -34.68 70.42 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.787 1.176 . . . . 0.0 112.377 -173.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.29 -39.42 85.98 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 120.097 1.317 . . . . 0.0 112.193 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tt -73.04 -26.87 61.45 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.525 -0.734 . . . . 0.0 111.297 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -63.62 -43.18 97.62 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.1 -1.0 . . . . 0.0 111.894 162.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.56 -31.78 45.02 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.726 1.631 . . . . 0.0 115.261 -178.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -96.35 -9.36 30.25 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 174.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.51 HG23 HG12 ' B' ' 23' ' ' VAL . 0.4 OUTLIER -65.1 142.25 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 124.235 1.014 . . . . 0.0 112.046 -171.548 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -90.99 76.14 6.25 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.34 1.056 . . . . 0.0 109.852 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 85.3 t -47.83 -40.07 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 -163.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -68.41 -49.2 61.75 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.65 1.114 . . . . 0.0 112.712 173.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.02 -51.25 14.05 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.511 0.724 . . . . 0.0 111.023 -173.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.51 HG12 HG23 ' B' ' 18' ' ' VAL . 0.5 OUTLIER -64.56 -31.33 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.663 1.185 . . . . 0.0 111.564 176.151 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.02 -42.87 35.61 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 118.965 0.802 . . . . 0.0 111.668 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.38 -44.48 96.77 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 117.808 0.804 . . . . 0.0 112.774 172.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.4 -48.87 79.9 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 123.494 0.717 . . . . 0.0 111.244 170.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.73 -56.18 25.48 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.755 1.616 . . . . 0.0 112.418 177.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 56.8 tp -67.06 -40.35 87.07 Favored 'General case' 0 C--O 1.225 -0.219 0 O-C-N 121.401 -0.812 . . . . 0.0 111.662 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.28 -50.18 70.59 Favored Glycine 0 C--N 1.333 0.394 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 173.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.582 ' HA ' HG22 ' B' ' 33' ' ' VAL . 16.9 mtp85 -52.68 -35.95 56.18 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.991 1.316 . . . . 0.0 113.805 175.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 18.1 tp -52.58 -41.93 64.06 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.058 1.299 . . . . 0.0 109.816 174.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -88.53 -28.87 20.49 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 117.993 -1.004 . . . . 0.0 111.67 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.582 HG22 ' HA ' ' B' ' 30' ' ' ARG . 4.7 m -56.84 -25.82 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 CA-C-N 121.152 1.796 . . . . 0.0 113.659 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -2.54 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-N 119.416 1.007 . . . . 0.0 113.266 175.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 t80 54.71 35.75 0.3 Allowed Pre-proline 0 CA--C 1.561 1.378 0 C-N-CA 126.221 1.808 . . . . 0.0 115.038 -169.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -78.79 172.85 14.43 Favored 'Trans proline' 0 C--N 1.36 1.132 0 C-N-CA 122.975 2.45 . . . . 0.0 112.008 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 8.3 p90 -56.6 -29.94 62.67 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 172.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.99 -23.92 62.28 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.947 -1.095 . . . . 0.0 113.461 171.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -57.96 -26.83 62.82 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.047 -1.033 . . . . 0.0 112.826 171.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -64.41 -13.57 51.84 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.64 15.16 18.84 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 119.288 0.949 . . . . 0.0 113.432 172.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -53.64 -27.8 29.29 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -176.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -47.92 -37.43 14.29 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.851 1.26 . . . . 0.0 113.757 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 19.3 m -65.52 -21.64 66.63 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 178.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -109.96 -8.76 14.81 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.855 1.662 . . . . 0.0 112.174 175.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.0 -160.75 6.9 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 124.494 1.045 . . . . 0.0 113.79 -171.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 39.02 -122.73 0.32 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.43 1.892 . . . . 0.0 112.737 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 8.7 tt 58.63 -10.38 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.994 2.117 . . . . 0.0 116.6 -177.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 11.9 m -51.32 -19.49 1.31 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.021 1.728 . . . . 0.0 115.597 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 61.3 p -134.24 158.99 74.02 Favored Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 125.564 1.546 . . . . 0.0 111.257 166.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -56.03 -42.53 65.7 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 123.601 2.867 . . . . 0.0 114.712 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.15 -36.6 84.57 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.123 0.569 . . . . 0.0 111.65 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.38 93.78 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.86 -31.99 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 CA-C-N 120.991 1.723 . . . . 0.0 113.431 -175.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 16.3 ptp -92.49 -18.19 23.52 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.18 -31.42 17.05 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 123.792 0.71 . . . . 0.0 114.581 171.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -59.3 125.3 78.54 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 125.268 1.427 . . . . 0.0 113.356 -173.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -64.49 -30.4 61.74 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.786 2.324 . . . . 0.0 113.825 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -69.04 -36.32 77.59 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.479 1.036 . . . . 0.0 112.799 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 76.8 t -65.06 -40.27 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.765 1.226 . . . . 0.0 110.988 166.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -62.46 -45.7 91.84 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 120.151 1.341 . . . . 0.0 111.954 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.07 -50.01 72.27 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.906 1.283 . . . . 0.0 113.412 176.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -62.02 -37.05 83.43 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.991 -1.068 . . . . 0.0 112.06 172.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.63 -48.74 64.21 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 124.733 1.159 . . . . 0.0 112.412 169.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -54.79 -43.55 72.96 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.842 1.657 . . . . 0.0 111.742 172.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -66.32 -55.57 15.34 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.39 1.076 . . . . 0.0 113.397 174.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 4.3 m -60.09 -39.99 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 120.855 1.661 . . . . 0.0 112.108 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.7 tt -69.67 -40.27 76.53 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.631 -0.668 . . . . 0.0 111.013 175.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.38 -36.6 84.63 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.996 1.284 . . . . 0.0 113.796 173.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.81 -49.71 67.29 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.366 1.083 . . . . 0.0 111.908 168.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -54.65 -40.65 69.23 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 174.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 84.4 p -71.17 -34.32 70.85 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 120.81 -1.182 . . . . 0.0 113.473 173.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.36 -28.4 65.08 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.129 0.877 . . . . 0.0 112.034 166.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.81 -63.9 4.85 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 124.169 0.89 . . . . 0.0 111.858 164.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.54 -34.42 36.37 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 118.53 1.165 . . . . 0.0 113.566 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.94 -18.48 58.24 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.22 39.33 1.0 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.274 1.43 . . . . 0.0 112.991 -170.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 70.2 mt -57.14 -21.53 33.32 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.663 -1.273 . . . . 0.0 114.171 -178.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -65.7 -11.49 45.66 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.236 2.214 . . . . 0.0 115.561 174.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -113.94 -60.34 1.9 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.877 1.217 . . . . 0.0 113.804 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 53.23 9.26 0.14 Allowed 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 118.627 2.825 . . . . 0.0 118.627 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -133.34 -61.44 0.82 Allowed 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 120.205 1.366 . . . . 0.0 111.815 171.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.23 -39.92 82.98 Favored Glycine 0 N--CA 1.478 1.493 0 CA-C-N 118.926 0.785 . . . . 0.0 114.64 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.4 t -66.58 -14.95 63.04 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 175.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -122.85 -1.1 8.94 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.811 1.644 . . . . 0.0 114.693 -176.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.91 -33.15 71.48 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 120.906 1.684 . . . . 0.0 114.506 -171.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 19.4 p -64.72 -40.96 96.22 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.189 -0.945 . . . . 0.0 112.009 170.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 18.9 mt -73.45 -39.46 64.94 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-O 118.317 -0.849 . . . . 0.0 112.127 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 83.7 p -64.59 -38.38 90.81 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 120.221 1.373 . . . . 0.0 111.569 175.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -65.32 -44.85 86.52 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.054 0.542 . . . . 0.0 112.167 172.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 51.6 tp -55.49 -56.46 19.98 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.261 -0.899 . . . . 0.0 110.913 171.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -77.0 30.09 0.13 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.124 1.77 . . . . 0.0 113.653 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 3.8 t -149.85 -80.64 0.12 Allowed 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.848 0.859 . . . . 0.0 108.848 169.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.92 -17.17 49.49 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.762 2.025 . . . . 0.0 115.732 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -112.93 -35.74 5.34 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.267 1.427 . . . . 0.0 112.137 171.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 13.3 mt -133.5 84.95 2.17 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.081 2.152 . . . . 0.0 108.136 -174.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -33.08 61.01 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -173.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 59.8 t 19.52 96.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 129.083 2.953 . . . . 0.0 114.968 160.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -55.12 132.64 68.6 Favored Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -176.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -53.18 -19.81 13.03 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 124.506 3.471 . . . . 0.0 118.094 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -52.65 -33.41 46.85 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 120.73 -1.231 . . . . 0.0 112.017 166.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.92 -38.52 88.74 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.977 -1.077 . . . . 0.0 112.095 172.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -68.43 -42.72 78.48 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.903 0.881 . . . . 0.0 110.595 176.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -57.64 -49.89 74.95 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.726 0.81 . . . . 0.0 110.66 172.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 84.5 mt -57.82 -50.81 72.03 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 118.354 -0.832 . . . . 0.0 112.279 175.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 tt -55.67 -36.05 66.67 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 120.173 1.351 . . . . 0.0 110.909 173.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' GLY . . . . . 0.478 ' CA ' HG12 ' B' ' 134' ' ' VAL . . . -67.33 -54.02 22.36 Favored Glycine 0 CA--C 1.519 0.302 0 O-C-N 120.921 -1.112 . . . . 0.0 114.975 176.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -55.67 -35.2 65.72 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.395 1.097 . . . . 0.0 110.14 171.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 t -65.49 -41.15 90.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-O 117.585 -1.197 . . . . 0.0 113.127 173.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 66.2 tp -58.97 -53.46 58.17 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 121.543 1.974 . . . . 0.0 111.129 176.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.3 m -55.44 -37.77 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -171.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 48.7 t -77.02 -27.72 54.68 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -172.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 p -68.68 -38.87 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 O-C-N 119.991 -1.693 . . . . 0.0 110.819 170.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.21 -37.11 81.82 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.713 0.688 . . . . 0.0 110.653 171.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.8 -27.14 66.33 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 170.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -75.23 -61.67 1.82 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 120.571 1.532 . . . . 0.0 111.744 167.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -63.64 -24.06 67.64 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -169.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -132.36 24.01 4.45 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.322 1.449 . . . . 0.0 111.999 -174.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -46.02 -41.01 10.39 Favored Glycine 0 N--CA 1.475 1.293 0 C-N-CA 125.688 1.613 . . . . 0.0 116.09 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -63.55 -22.06 66.68 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -105.37 -2.51 23.78 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.383 1.873 . . . . 0.0 112.61 174.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -86.45 58.27 4.96 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.776 -1.202 . . . . 0.0 113.114 -169.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.518 ' HG1' ' H ' ' B' ' 126' ' ' VAL . 32.1 p -53.45 157.9 3.22 Favored Pre-proline 0 N--CA 1.481 1.097 0 C-N-CA 126.228 1.811 . . . . 0.0 113.773 -174.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -47.54 -49.9 12.45 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.508 2.139 . . . . 0.0 115.218 170.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.39 -27.0 40.57 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 121.336 1.357 . . . . 0.0 114.418 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . 0.518 ' H ' ' HG1' ' B' ' 123' ' ' THR . 0.3 OUTLIER -65.8 -40.01 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 122.091 2.223 . . . . 0.0 111.903 176.676 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -60.35 -42.15 95.15 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.894 0.77 . . . . 0.0 111.198 176.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.8 -32.07 73.11 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.98 -51.96 53.7 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.472 -0.767 . . . . 0.0 110.398 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -52.03 -48.75 64.4 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.41 0.55 . . . . 0.0 111.276 169.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 15.1 tm0? -54.4 -46.47 73.14 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 118.166 -0.921 . . . . 0.0 112.736 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -63.36 -41.78 98.84 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.792 1.633 . . . . 0.0 113.232 -176.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 1.6 p -73.8 -38.75 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 119.154 0.888 . . . . 0.0 112.215 174.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . 0.478 HG12 ' CA ' ' B' ' 107' ' ' GLY . 88.8 t -72.19 -34.84 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 118.805 0.729 . . . . 0.0 112.453 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.08 93.16 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 120.956 -1.09 . . . . 0.0 111.476 167.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -53.07 -52.98 36.38 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-O 119.69 -0.505 . . . . 0.0 112.349 166.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.0 -42.84 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 118.391 1.096 . . . . 0.0 112.388 175.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.92 -47.69 83.8 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.439 -0.788 . . . . 0.0 111.664 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.3 -31.97 73.38 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.75 -0.594 . . . . 0.0 112.073 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.18 -48.67 64.64 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.733 0.813 . . . . 0.0 111.382 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.12 -34.49 75.05 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.433 -0.792 . . . . 0.0 111.569 173.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.23 -4.29 24.9 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 172.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -57.67 -43.08 84.75 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 121.249 1.84 . . . . 0.0 113.363 -176.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -73.97 2.06 9.51 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.806 1.242 . . . . 0.0 113.664 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.553 1.063 0 C-N-CA 128.018 2.527 . . . . 0.0 111.891 -176.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.25 5.3 p . . . . . 0 N--CA 1.51 2.55 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 21.1 mt -136.28 -179.21 5.54 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.865 1.666 . . . . 0.0 111.256 -173.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -112.42 165.98 11.91 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 126.104 1.762 . . . . 0.0 110.475 -172.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -78.62 -42.48 0.21 Allowed 'Trans proline' 0 CA--C 1.538 0.71 0 CA-C-N 121.537 1.585 . . . . 0.0 113.107 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.31 -33.44 75.29 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.624 -0.673 . . . . 0.0 112.758 -177.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.05 -43.27 81.83 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 118.204 0.456 . . . . 0.0 110.985 177.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -55.86 -48.78 74.93 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.523 1.129 . . . . 0.0 111.013 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 98.1 m -56.83 -44.83 82.47 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.685 0.794 . . . . 0.0 111.5 177.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -67.99 -39.43 83.25 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.589 -0.694 . . . . 0.0 112.327 177.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 87.8 t -61.97 -51.72 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.713 0.805 . . . . 0.0 110.639 174.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -60.29 -42.96 96.58 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.734 0.697 . . . . 0.0 111.173 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.78 -50.28 73.78 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.206 0.603 . . . . 0.0 111.647 175.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.23 -54.2 44.33 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.541 0.61 . . . . 0.0 112.049 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -63.08 -26.31 68.77 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.207 -0.933 . . . . 0.0 113.294 -175.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.76 -38.69 94.28 Favored Glycine 0 CA--C 1.538 1.511 0 O-C-N 121.022 -1.049 . . . . 0.0 113.778 168.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -73.59 -33.18 64.5 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 118.025 0.913 . . . . 0.0 111.629 173.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.454 HG13 ' CD2' ' C' ' 24' ' ' TYR . 97.6 t -68.9 -24.74 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.539 1.536 . . . . 0.0 113.048 176.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.84 125.59 1.79 Allowed Glycine 0 CA--C 1.542 1.735 0 C-N-CA 125.142 1.353 . . . . 0.0 114.109 175.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 76.91 -38.38 0.3 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 129.004 2.921 . . . . 0.0 114.776 -174.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -74.88 -17.67 60.55 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.213 1.005 . . . . 0.0 113.123 172.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . 0.4 ' HB3' HG11 ' C' ' 17' ' ' VAL . . . -44.77 -49.71 10.5 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.155 2.182 . . . . 0.0 114.724 -172.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.7 -37.22 94.39 Favored Glycine 0 N--CA 1.47 0.923 0 O-C-N 121.856 -0.528 . . . . 0.0 113.541 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -42.16 83.59 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.773 0.829 . . . . 0.0 111.025 175.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' TYR . . . . . 0.454 ' CD2' HG13 ' C' ' 17' ' ' VAL . 14.7 m-30 -63.73 -39.4 94.21 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.309 0.958 . . . . 0.0 112.358 174.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.45 -59.28 11.13 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 123.706 0.67 . . . . 0.0 111.616 170.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.73 -52.21 42.56 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.453 1.501 . . . . 0.0 112.7 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.08 -38.31 79.16 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 124.865 1.266 . . . . 0.0 112.444 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.51 -36.07 81.81 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 119.14 0.882 . . . . 0.0 112.228 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.78 -47.75 82.13 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.423 0.556 . . . . 0.0 110.335 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.85 -46.8 88.13 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.332 0.653 . . . . 0.0 111.152 -177.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -54.57 -50.94 66.77 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 124.896 1.278 . . . . 0.0 111.413 169.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 49.7 ttp -57.01 -44.52 82.9 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.397 0.999 . . . . 0.0 112.146 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -61.74 -23.33 66.09 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 47.9 mt -97.94 -40.85 8.27 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.81 0.844 . . . . 0.0 110.642 -178.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 54.2 m -77.4 -18.72 57.04 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.919 2.088 . . . . 0.0 113.589 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -140.44 80.45 19.05 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 125.977 1.711 . . . . 0.0 108.806 174.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -45.79 -26.65 3.33 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 124.423 3.415 . . . . 0.0 114.323 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 41.4 m -41.08 -29.35 0.11 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.163 2.185 . . . . 0.0 116.001 164.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 70.3 p -81.12 -25.52 36.88 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 122.938 2.608 . . . . 0.0 113.962 175.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -56.75 -34.86 67.98 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 119.948 1.249 . . . . 0.0 111.72 168.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.96 -19.76 64.59 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 175.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.19 0.74 3.41 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.034 -1.041 . . . . 0.0 113.728 171.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 2.7 t80 59.96 60.22 4.22 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 125.513 1.525 . . . . 0.0 112.402 171.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -59.24 136.87 75.32 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 124.023 3.149 . . . . 0.0 113.198 -167.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -78.12 14.04 1.28 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.782 1.233 . . . . 0.0 113.741 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -139.54 151.78 46.39 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.855 1.662 . . . . 0.0 111.45 -173.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -83.01 146.85 28.52 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.35 0.66 . . . . 0.0 111.39 169.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.71 28.42 1.16 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.142 0.977 . . . . 0.0 113.532 -172.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 19.1 p -62.76 -56.73 14.93 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.263 1.025 . . . . 0.0 112.67 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -163.87 141.06 7.02 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.404 1.882 . . . . 0.0 110.85 172.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.76 25.69 59.24 Favored Glycine 0 CA--C 1.54 1.641 0 N-CA-C 116.445 1.338 . . . . 0.0 116.445 168.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -55.93 133.53 51.56 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.128 1.371 . . . . 0.0 114.338 -170.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.52 -27.2 65.96 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.266 1.426 . . . . 0.0 113.473 172.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -84.58 -40.75 17.16 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.386 0.674 . . . . 0.0 111.467 176.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.81 -41.18 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 121.5 -0.75 . . . . 0.0 112.113 178.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -61.39 -40.28 93.78 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 119.836 1.198 . . . . 0.0 113.041 174.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.45 -52.36 31.27 Favored Glycine 0 N--CA 1.472 1.077 0 C-N-CA 124.237 0.922 . . . . 0.0 112.284 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -40.81 74.4 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.952 0.901 . . . . 0.0 112.046 173.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.61 -49.47 69.66 Favored Glycine 0 C--N 1.339 0.71 0 C-N-CA 124.093 0.854 . . . . 0.0 113.337 172.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -55.38 -41.66 72.95 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.543 1.172 . . . . 0.0 112.333 171.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -61.62 -50.75 71.3 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 119.339 0.972 . . . . 0.0 112.115 175.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 95.7 t -57.66 -42.47 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 119.296 0.953 . . . . 0.0 110.889 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.04 85.07 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -61.12 -38.47 86.46 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.495 1.043 . . . . 0.0 111.957 175.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.01 99.9 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.798 -0.564 . . . . 0.0 112.35 172.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.44 -45.15 92.39 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.718 -0.658 . . . . 0.0 111.306 170.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 92.0 m -56.2 -45.5 79.81 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.688 1.131 . . . . 0.0 111.742 172.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -27.92 67.55 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 120.308 1.413 . . . . 0.0 112.896 176.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.86 -45.81 70.1 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.251 0.932 . . . . 0.0 111.475 169.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.65 -46.83 92.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 CA-C-N 119.775 1.17 . . . . 0.0 111.504 174.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.95 -26.09 67.99 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.82 1.248 . . . . 0.0 113.908 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -130.68 32.64 4.35 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.81 1.244 . . . . 0.0 111.031 -175.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 10.5 p -60.58 -21.08 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 -164.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.33 6.45 26.48 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 119.729 1.15 . . . . 0.0 113.386 170.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -141.2 29.18 1.83 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 128.021 2.528 . . . . 0.0 110.906 -164.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 18.4 ptt? -112.64 40.14 0.21 Allowed Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 125.181 1.392 . . . . 0.0 114.559 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -64.83 -28.97 58.98 Favored 'Trans proline' 0 C--N 1.355 0.888 0 CA-C-N 122.908 2.074 . . . . 0.0 113.287 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -130.2 -0.43 4.6 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.659 1.184 . . . . 0.0 114.06 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.77 -16.15 63.71 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 120.194 -1.566 . . . . 0.0 114.431 -174.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 32.2 mt -104.15 13.69 31.89 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.933 1.293 . . . . 0.0 111.919 169.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 24.1 t -57.92 -42.07 84.04 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.837 1.199 . . . . 0.0 112.328 -172.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.17 -27.14 43.6 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 172.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 mt -87.73 -38.51 15.73 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.33 1.052 . . . . 0.0 110.689 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 22.4 p -64.63 -33.69 76.53 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 168.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -62.08 -48.21 81.24 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.845 1.258 . . . . 0.0 110.664 170.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 14.7 tp -53.14 -44.39 67.7 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 121.371 -0.83 . . . . 0.0 112.147 169.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -76.98 18.19 0.38 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 125.842 1.657 . . . . 0.0 114.165 175.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.7 -46.3 0.16 Allowed 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -58.94 -35.28 72.87 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.611 1.164 . . . . 0.0 111.589 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -144.78 -172.31 3.8 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 128.621 2.768 . . . . 0.0 109.084 176.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 82.3 mt 27.59 73.08 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.994 2.118 . . . . 0.0 114.223 167.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -38.46 -54.81 1.46 Allowed 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.199 1.4 . . . . 0.0 112.585 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 98.5 t 48.14 71.79 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 122.784 1.278 . . . . 0.0 111.143 176.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -58.82 147.22 73.07 Favored Pre-proline 0 CA--C 1.546 0.803 0 O-C-N 120.74 -1.225 . . . . 0.0 112.237 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.79 -24.3 30.19 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 123.575 2.85 . . . . 0.0 115.125 -168.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 18.5 t -40.0 -52.03 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.941 1.296 . . . . 0.0 111.961 165.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -57.2 -40.18 76.9 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -40.09 78.49 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 119.212 -0.423 . . . . 0.0 111.056 178.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -61.15 -42.08 97.91 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.483 0.583 . . . . 0.0 109.995 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.27 -55.49 34.22 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.164 0.985 . . . . 0.0 109.347 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -34.0 72.4 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.772 0.429 . . . . 0.0 112.085 176.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 73.9 m -68.9 -39.02 79.95 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.587 1.085 . . . . 0.0 113.358 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -59.56 -44.46 93.26 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.204 -0.935 . . . . 0.0 110.346 167.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 68.4 m -62.56 -33.49 75.04 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 174.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 41.8 mt -68.65 -48.4 64.12 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.655 1.116 . . . . 0.0 111.735 171.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 41.7 mt -53.77 -41.25 66.97 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.465 -0.772 . . . . 0.0 110.191 174.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 24.6 t -58.8 -48.58 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.971 0.909 . . . . 0.0 112.917 172.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 2.3 p -67.48 -34.85 78.01 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 120.144 1.338 . . . . 0.0 112.647 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.6 -48.3 82.37 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.555 0.616 . . . . 0.0 110.188 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.79 -33.09 68.18 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.64 -6.48 11.36 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -139.19 -44.84 0.46 Allowed 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -174.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 6.8 mp -78.14 141.99 63.27 Favored Pre-proline 0 CA--C 1.559 1.309 0 CA-C-O 116.697 -1.62 . . . . 0.0 107.874 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -54.22 -122.25 0.0 OUTLIER 'Trans proline' 0 CA--C 1.555 1.53 1 C-N-CA 126.59 4.86 . . . . 0.0 117.342 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.63 54.19 0.06 Allowed 'General case' 0 CA--C 1.544 0.748 0 O-C-N 118.944 -2.348 . . . . 0.0 110.433 160.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.67 -19.26 10.09 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.948 1.299 . . . . 0.0 112.739 -177.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.97 37.3 1.32 Allowed 'General case' 0 N--CA 1.432 -1.362 0 C-N-CA 126.537 1.935 . . . . 0.0 113.29 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 1.1 p -53.21 159.89 1.9 Allowed Pre-proline 0 N--CA 1.477 0.906 0 O-C-N 121.08 -1.013 . . . . 0.0 110.21 169.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -47.3 -44.82 23.66 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.21 1.94 . . . . 0.0 115.13 169.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.34 -54.13 37.81 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.407 0.549 . . . . 0.0 110.889 174.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 14.0 t -77.0 -33.98 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 O-C-N 121.494 -0.754 . . . . 0.0 112.939 -168.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -73.53 -48.88 29.67 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.999 1.319 . . . . 0.0 112.336 175.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.04 -48.7 77.89 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 118.744 0.702 . . . . 0.0 109.798 173.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 15.6 t -52.69 -61.96 1.95 Allowed 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.013 0.925 . . . . 0.0 112.738 173.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 58.6 mt -60.69 -42.95 98.19 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.976 1.262 . . . . 0.0 112.039 -175.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.84 -43.17 93.92 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.832 1.196 . . . . 0.0 112.267 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.31 -30.11 61.92 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.237 -0.914 . . . . 0.0 113.122 177.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -61.6 -58.75 6.86 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 124.643 1.177 . . . . 0.0 110.067 169.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.26 -43.07 70.63 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.482 0.713 . . . . 0.0 110.619 175.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.25 -42.5 73.58 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 120.084 1.311 . . . . 0.0 112.738 173.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 11.2 m -71.03 -31.63 68.16 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 171.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 87.1 t -55.49 -50.03 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 CA-C-N 120.087 1.312 . . . . 0.0 108.835 167.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 33.5 t -58.77 -48.72 80.24 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 123.975 0.91 . . . . 0.0 113.39 174.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 96.1 m -51.42 -46.0 62.79 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.018 0.827 . . . . 0.0 110.7 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 81.1 t -68.11 -41.64 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 O-C-N 121.425 -0.797 . . . . 0.0 112.255 174.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -5.87 3.23 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.448 -1.408 . . . . 0.0 113.049 171.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 61.8 m -116.68 -21.0 9.3 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.093 2.157 . . . . 0.0 111.939 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 52.0 m . . . . . 0 N--CA 1.475 0.793 0 C-N-CA 125.183 1.393 . . . . 0.0 111.963 -172.928 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.296 2.5 p . . . . . 0 N--CA 1.517 2.884 0 CA-C-O 117.535 -1.221 . . . . 0.0 113.234 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 9.2 75.13 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 129.212 3.005 . . . . 0.0 116.257 -172.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.06 154.4 34.51 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.769 -0.582 . . . . 0.0 111.877 -170.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.6 145.76 97.14 Favored Pre-proline 0 N--CA 1.482 1.136 0 CA-C-O 118.086 -0.959 . . . . 0.0 109.653 168.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -52.04 -39.65 69.52 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 123.435 2.757 . . . . 0.0 116.005 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.7 -41.4 79.2 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.006 0.821 . . . . 0.0 111.862 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -67.41 -42.85 82.59 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.122 0.569 . . . . 0.0 111.1 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -54.33 -53.38 54.66 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.293 1.037 . . . . 0.0 110.823 168.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 30.1 t -54.14 -45.82 72.07 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.369 0.531 . . . . 0.0 111.276 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.1 -53.47 58.02 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 175.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.62 -49.0 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 CA-C-N 119.906 1.23 . . . . 0.0 111.862 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -71.47 -34.76 70.48 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.792 1.178 . . . . 0.0 112.341 -173.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.48 -38.98 85.21 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 120.014 1.279 . . . . 0.0 112.202 172.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.37 -26.79 61.15 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.573 -0.704 . . . . 0.0 111.276 176.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 9.6 t90 -63.42 -43.6 97.03 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.088 -1.008 . . . . 0.0 111.958 162.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.23 -31.92 42.73 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.699 1.618 . . . . 0.0 115.343 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -96.4 -9.52 29.72 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.482 1.113 . . . . 0.0 113.981 174.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.512 HG22 HG12 ' D' ' 23' ' ' VAL . 0.4 OUTLIER -65.01 142.3 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.178 0.991 . . . . 0.0 112.012 -171.689 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -91.02 76.33 6.21 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.344 1.058 . . . . 0.0 109.8 -175.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 85.8 t -47.82 -40.02 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -163.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.6 -49.09 61.97 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.686 1.13 . . . . 0.0 112.639 173.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -74.99 -51.33 13.91 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.507 0.723 . . . . 0.0 111.098 -173.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . 0.512 HG12 HG22 ' D' ' 18' ' ' VAL . 0.5 OUTLIER -64.63 -31.17 52.58 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 C-N-CA 124.629 1.172 . . . . 0.0 111.62 176.206 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.08 -42.92 34.98 Favored Glycine 0 C--N 1.341 0.835 0 CA-C-N 118.849 0.75 . . . . 0.0 111.632 176.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.43 -44.49 96.68 Favored Glycine 0 N--CA 1.464 0.551 0 CA-C-N 117.892 0.846 . . . . 0.0 112.738 172.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.5 -48.96 79.5 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 117.656 0.728 . . . . 0.0 111.231 170.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.71 -55.81 30.35 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.834 1.652 . . . . 0.0 112.549 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 57.1 tp -67.22 -39.86 86.31 Favored 'General case' 0 C--O 1.224 -0.258 0 O-C-N 121.349 -0.844 . . . . 0.0 111.685 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.75 -50.32 68.97 Favored Glycine 0 C--N 1.334 0.44 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 173.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' ARG . . . . . 0.576 ' HA ' HG22 ' D' ' 33' ' ' VAL . 16.9 mtp85 -52.42 -36.66 54.84 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.057 1.343 . . . . 0.0 113.814 175.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 18.1 tp -52.0 -42.05 62.68 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.067 1.303 . . . . 0.0 109.854 174.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -88.51 -28.94 20.47 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.762 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 33' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' D' ' 30' ' ' ARG . 4.7 m -56.74 -25.71 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-N 121.288 1.858 . . . . 0.0 113.814 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -2.35 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 119.274 0.943 . . . . 0.0 113.239 175.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 t80 54.63 35.68 0.3 Allowed Pre-proline 0 CA--C 1.562 1.421 0 C-N-CA 126.294 1.837 . . . . 0.0 115.051 -170.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -78.69 172.89 14.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 122.895 2.396 . . . . 0.0 111.99 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 8.4 p90 -56.47 -30.14 62.57 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 172.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.91 -23.78 61.57 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 120.916 -1.115 . . . . 0.0 113.418 171.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -58.18 -26.64 63.02 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.452 1.023 . . . . 0.0 112.781 171.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -64.43 -13.71 52.85 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.817 -1.177 . . . . 0.0 114.152 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.59 15.2 18.64 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 119.345 0.975 . . . . 0.0 113.404 172.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -53.47 -28.05 28.43 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -47.83 -37.46 13.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.721 1.208 . . . . 0.0 113.786 177.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 19.4 m -65.37 -21.82 66.73 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -109.82 -8.88 14.84 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.866 1.666 . . . . 0.0 112.14 175.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.17 -160.84 7.1 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.468 1.032 . . . . 0.0 113.721 -171.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 39.08 -122.71 0.32 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.393 1.877 . . . . 0.0 112.809 -176.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 8.8 tt 58.76 -10.57 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.917 2.087 . . . . 0.0 116.585 -177.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 11.7 m -51.23 -19.52 1.25 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 61.6 p -134.2 158.94 74.15 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 125.6 1.56 . . . . 0.0 111.237 166.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -56.01 -42.52 65.86 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 123.677 2.918 . . . . 0.0 114.729 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.06 -36.79 85.17 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.074 0.549 . . . . 0.0 111.652 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.54 93.42 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -176.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.84 -32.11 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 120.861 1.664 . . . . 0.0 113.387 -175.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 16.3 ptp -92.33 -18.09 23.82 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.24 -31.46 16.78 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 123.919 0.771 . . . . 0.0 114.546 171.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -59.34 125.37 78.86 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 125.235 1.414 . . . . 0.0 113.243 -173.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -64.58 -30.31 60.96 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.755 2.303 . . . . 0.0 113.884 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -68.94 -36.55 78.09 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.449 1.022 . . . . 0.0 112.808 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 76.4 t -65.03 -40.17 88.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.736 1.215 . . . . 0.0 111.143 166.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -62.26 -45.81 91.63 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 120.198 1.363 . . . . 0.0 112.052 173.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.01 -50.17 71.76 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.888 1.275 . . . . 0.0 113.42 176.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -62.05 -36.92 83.07 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.908 -1.12 . . . . 0.0 112.031 172.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.65 -48.77 64.11 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.814 1.197 . . . . 0.0 112.396 169.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -54.87 -43.35 73.06 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.752 1.621 . . . . 0.0 111.756 172.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -66.47 -55.5 15.35 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.38 1.072 . . . . 0.0 113.457 174.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 4.3 m -60.18 -39.97 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 120.855 1.661 . . . . 0.0 112.03 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.7 tt -69.68 -40.0 76.65 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.453 -0.779 . . . . 0.0 111.109 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.88 -36.24 86.51 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.932 1.253 . . . . 0.0 113.821 173.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.81 -49.78 67.02 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.427 1.113 . . . . 0.0 111.828 168.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -54.71 -40.65 69.41 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 174.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 85.3 p -71.07 -34.68 71.42 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.761 -1.212 . . . . 0.0 113.423 173.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.89 -28.47 64.24 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.331 0.968 . . . . 0.0 112.151 166.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.85 -64.06 4.7 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 124.13 0.872 . . . . 0.0 111.844 164.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.34 -34.46 33.87 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 118.667 1.234 . . . . 0.0 113.581 177.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.04 -18.44 58.11 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.22 39.41 1.0 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.289 1.435 . . . . 0.0 112.986 -170.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 70.7 mt -57.24 -21.58 35.1 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.677 -1.264 . . . . 0.0 114.138 -178.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -65.6 -11.43 44.28 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.241 2.216 . . . . 0.0 115.667 174.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -113.99 -60.29 1.9 Allowed 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.793 1.179 . . . . 0.0 113.837 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 53.25 9.27 0.14 Allowed 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -133.37 -61.34 0.82 Allowed 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 120.221 1.373 . . . . 0.0 111.883 171.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.25 -40.09 83.62 Favored Glycine 0 N--CA 1.479 1.561 0 CA-C-N 119.019 0.827 . . . . 0.0 114.526 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.4 t -66.26 -15.17 62.98 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 175.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -122.85 -0.96 8.96 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.686 1.594 . . . . 0.0 114.687 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.02 -33.17 71.64 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 120.75 1.614 . . . . 0.0 114.468 -171.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 19.1 p -64.65 -41.21 96.28 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.194 -0.941 . . . . 0.0 111.88 170.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.4 -39.32 65.16 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-O 118.216 -0.897 . . . . 0.0 112.096 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -64.64 -38.38 90.8 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 120.304 1.411 . . . . 0.0 111.596 175.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -65.24 -45.03 86.29 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.777 -0.577 . . . . 0.0 112.062 172.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 51.7 tp -55.4 -56.32 21.5 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.237 -0.914 . . . . 0.0 111.009 171.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -77.26 30.13 0.14 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.108 1.763 . . . . 0.0 113.505 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 3.8 t -149.82 -80.78 0.12 Allowed 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 123.897 0.879 . . . . 0.0 108.877 169.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.71 -17.32 47.51 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.825 2.05 . . . . 0.0 115.73 -174.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -112.85 -35.67 5.39 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.206 1.403 . . . . 0.0 112.171 171.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 13.2 mt -133.5 85.08 2.18 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.049 2.14 . . . . 0.0 108.101 -174.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.73 -33.19 60.79 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -173.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 59.8 t 19.54 96.17 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 128.999 2.919 . . . . 0.0 115.078 160.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -54.97 132.65 67.62 Favored Pre-proline 0 CA--C 1.551 0.985 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -176.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 100' ' ' PRO . . . . . 0.409 ' HA ' ' CD2' ' D' ' 103' ' ' PHE . 84.8 Cg_exo -53.1 -19.81 12.66 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 124.475 3.45 . . . . 0.0 118.093 -178.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -52.7 -33.53 48.02 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.821 1.191 . . . . 0.0 112.046 166.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.78 -38.66 88.87 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.01 -1.056 . . . . 0.0 112.086 173.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 103' ' ' PHE . . . . . 0.409 ' CD2' ' HA ' ' D' ' 100' ' ' PRO . 3.6 m-30 -68.49 -42.68 78.27 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.793 0.837 . . . . 0.0 110.551 176.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -57.7 -49.67 75.75 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.779 172.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 84.5 mt -57.85 -51.02 71.34 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 118.36 -0.829 . . . . 0.0 112.142 175.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 tt -55.61 -36.04 66.52 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.193 1.36 . . . . 0.0 110.84 173.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 107' ' ' GLY . . . . . 0.478 ' CA ' HG13 ' D' ' 134' ' ' VAL . . . -67.2 -54.15 22.17 Favored Glycine 0 CA--C 1.519 0.294 0 O-C-N 120.998 -1.064 . . . . 0.0 114.984 176.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -55.59 -35.16 65.51 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.478 1.139 . . . . 0.0 110.279 171.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 30.5 t -65.51 -41.36 90.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-O 117.818 -1.087 . . . . 0.0 113.077 173.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.77 -53.34 59.52 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 121.303 1.865 . . . . 0.0 111.137 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 1.3 m -55.5 -37.71 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-O 121.1 0.476 . . . . 0.0 112.252 -171.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 49.6 t -77.01 -27.59 54.71 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -172.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 p -68.82 -39.1 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 120.018 -1.677 . . . . 0.0 110.723 170.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.2 -36.79 80.85 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.58 0.627 . . . . 0.0 110.761 171.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.99 -26.78 66.32 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 170.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -75.28 -61.69 1.81 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 120.594 1.543 . . . . 0.0 111.845 167.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -63.6 -24.1 67.66 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -169.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -132.29 23.99 4.47 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.403 1.481 . . . . 0.0 112.107 -174.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -46.16 -40.97 10.8 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 125.843 1.687 . . . . 0.0 116.037 -173.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -63.54 -21.93 66.61 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -105.62 -2.46 23.42 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.342 1.857 . . . . 0.0 112.72 174.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -86.55 58.26 4.96 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 120.855 -1.153 . . . . 0.0 113.055 -169.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 123' ' ' THR . . . . . 0.538 ' HG1' ' H ' ' D' ' 126' ' ' VAL . 32.6 p -53.25 158.05 2.87 Favored Pre-proline 0 N--CA 1.48 1.05 0 C-N-CA 126.127 1.771 . . . . 0.0 113.74 -174.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -47.72 -49.92 12.59 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.465 2.11 . . . . 0.0 115.22 170.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.11 -27.46 41.9 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.331 1.354 . . . . 0.0 114.33 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 126' ' ' VAL . . . . . 0.538 ' H ' ' HG1' ' D' ' 123' ' ' THR . 0.3 OUTLIER -65.43 -40.36 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 122.099 2.227 . . . . 0.0 111.777 176.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -60.3 -42.1 94.8 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.562 -0.711 . . . . 0.0 111.139 176.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.7 -31.98 72.98 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 173.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.27 -51.58 56.0 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.432 -0.793 . . . . 0.0 110.239 174.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -52.3 -48.59 65.27 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.446 0.566 . . . . 0.0 111.262 169.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 15.1 tm0? -54.67 -46.26 74.01 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 118.206 -0.902 . . . . 0.0 112.654 174.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -63.57 -41.72 98.36 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.733 1.606 . . . . 0.0 113.152 -176.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 1.6 p -73.76 -38.75 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 119.252 0.933 . . . . 0.0 112.239 174.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 134' ' ' VAL . . . . . 0.478 HG13 ' CA ' ' D' ' 107' ' ' GLY . 87.4 t -72.12 -34.83 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 118.781 0.719 . . . . 0.0 112.568 -178.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.48 -40.07 93.21 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.972 -1.08 . . . . 0.0 111.516 167.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -53.12 -52.9 37.1 Favored Glycine 0 N--CA 1.47 0.944 0 CA-C-O 119.628 -0.54 . . . . 0.0 112.385 166.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.05 -42.85 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 118.294 1.047 . . . . 0.0 112.402 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.98 -47.7 83.64 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.75 0.705 . . . . 0.0 111.722 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -31.95 73.35 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.722 -0.611 . . . . 0.0 112.17 175.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.07 -48.82 64.51 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.875 0.87 . . . . 0.0 111.387 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.08 -34.44 74.93 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.511 -0.743 . . . . 0.0 111.597 173.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.39 -4.15 24.69 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 172.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -57.72 -43.13 85.06 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 121.337 1.881 . . . . 0.0 113.204 -176.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -73.99 2.12 9.4 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.786 1.234 . . . . 0.0 113.617 174.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.4 -28.58 6.81 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 127.94 2.496 . . . . 0.0 111.819 -176.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 34.3 m-70 . . . . . 0 C--O 1.255 1.391 0 C-N-CA 128.768 2.827 . . . . 0.0 115.717 -174.814 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 24.7 m . . . . . 0 N--CA 1.509 2.511 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 36.8 mt -144.88 -171.51 3.65 Favored 'General case' 0 CA--C 1.556 1.193 0 O-C-N 120.243 -1.536 . . . . 0.0 111.873 -172.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.51 154.71 77.48 Favored Pre-proline 0 N--CA 1.489 1.507 0 C-N-CA 125.687 1.595 . . . . 0.0 111.745 -168.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -76.48 -51.54 0.1 OUTLIER 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.263 1.975 . . . . 0.0 114.609 -167.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.75 -37.55 84.86 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.358 -0.838 . . . . 0.0 112.232 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.43 -40.8 92.38 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.536 0.734 . . . . 0.0 111.848 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -56.24 -46.12 79.72 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 118.052 -0.975 . . . . 0.0 111.798 170.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.5 m -56.36 -42.53 77.94 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.046 1.294 . . . . 0.0 112.13 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -66.55 -35.91 81.38 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.923 -1.11 . . . . 0.0 112.62 174.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.5 t -61.63 -43.37 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-N 119.192 0.906 . . . . 0.0 111.156 169.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.23 -45.98 91.35 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.317 0.962 . . . . 0.0 111.063 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.87 -50.29 74.58 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.164 0.585 . . . . 0.0 111.151 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.05 -57.86 10.98 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.499 0.719 . . . . 0.0 112.299 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -66.38 -24.08 66.43 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.414 -0.804 . . . . 0.0 113.036 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.85 -50.53 64.87 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.673 1.13 . . . . 0.0 113.391 170.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -26.24 63.31 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 118.642 1.221 . . . . 0.0 112.508 175.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.06 -20.16 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.538 1.135 . . . . 0.0 113.234 172.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.43 141.2 4.65 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 124.813 1.197 . . . . 0.0 114.535 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 61.0 -35.21 0.09 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 128.346 2.658 . . . . 0.0 116.464 -169.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -77.57 -14.1 59.74 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.737 1.215 . . . . 0.0 113.551 173.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.28 -48.09 62.33 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.193 1.397 . . . . 0.0 114.438 -166.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.1 -35.37 92.0 Favored Glycine 0 N--CA 1.47 0.963 0 O-C-N 121.71 -0.619 . . . . 0.0 113.479 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -64.54 -44.85 89.5 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.903 0.881 . . . . 0.0 110.498 173.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -66.33 -35.4 80.26 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.34 -49.16 76.88 Favored Glycine 0 CA--C 1.533 1.207 0 CA-C-N 118.935 0.789 . . . . 0.0 112.264 170.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.86 91.2 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 117.765 0.783 . . . . 0.0 112.001 175.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.85 -40.57 95.37 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 121.252 -0.905 . . . . 0.0 113.122 173.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.08 89.36 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 120.677 1.58 . . . . 0.0 112.202 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.29 -50.6 67.25 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.223 1.009 . . . . 0.0 111.471 171.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.44 -43.47 96.79 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.459 -0.776 . . . . 0.0 111.784 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -60.47 -40.52 91.52 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.501 1.52 . . . . 0.0 111.652 173.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -61.45 -51.43 68.76 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.464 1.029 . . . . 0.0 111.884 171.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -63.16 -41.28 99.22 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.5 -32.69 62.61 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.83 0.741 . . . . 0.0 112.758 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.6 m -78.0 -18.6 55.73 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -146.81 69.17 12.04 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 123.645 0.778 . . . . 0.0 110.56 -170.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -62.08 -13.72 33.33 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.484 2.789 . . . . 0.0 115.464 -165.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.3 p -53.93 -25.71 21.79 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.474 1.51 . . . . 0.0 114.376 163.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.8 p -74.2 -35.49 63.95 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.144 1.338 . . . . 0.0 113.083 175.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -55.98 -34.7 65.98 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -178.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -55.62 -26.93 46.76 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.484 ' CZ ' HG23 ' A' ' 93' ' ' VAL . 0.6 OUTLIER -63.29 -22.05 66.63 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.782 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 30.54 59.06 0.96 Allowed Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 126.975 2.11 . . . . 0.0 113.38 -177.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -46.7 -57.05 2.49 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 124.121 3.214 . . . . 0.0 114.913 -161.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -161.15 17.67 0.11 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.631 1.572 . . . . 0.0 112.652 161.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.48 -176.8 4.52 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.129 1.372 . . . . 0.0 113.357 -162.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -130.84 143.99 51.13 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.423 1.489 . . . . 0.0 109.157 175.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.72 27.88 4.61 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.665 1.586 . . . . 0.0 112.906 -164.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 97.9 p -57.41 167.78 0.92 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.068 1.347 . . . . 0.0 113.689 170.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -57.85 114.5 2.34 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.066 -1.021 . . . . 0.0 111.028 174.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.88 5.48 62.68 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-O 118.754 -1.025 . . . . 0.0 115.488 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.6 116.25 3.57 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.518 1.659 . . . . 0.0 113.726 -173.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.5 -33.64 63.91 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.252 1.021 . . . . 0.0 113.163 177.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -62.56 -38.51 90.36 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.754 0.822 . . . . 0.0 112.04 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.5 t -69.12 -36.02 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 O-C-N 121.434 -0.791 . . . . 0.0 111.386 173.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -63.96 -45.68 88.07 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.537 1.062 . . . . 0.0 111.55 175.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.14 -51.78 56.77 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 124.164 0.888 . . . . 0.0 112.287 174.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -55.89 -43.98 77.73 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.934 0.893 . . . . 0.0 111.92 173.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.12 -48.95 79.82 Favored Glycine 0 CA--C 1.528 0.861 0 O-C-N 121.039 -1.038 . . . . 0.0 113.68 174.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -55.78 -43.48 76.82 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.025 0.93 . . . . 0.0 112.405 171.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.12 -50.29 68.85 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 118.35 -0.834 . . . . 0.0 112.869 175.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 69.0 t -56.09 -43.51 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 CA-C-N 120.302 1.41 . . . . 0.0 111.5 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.64 74.31 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -59.87 -36.02 76.04 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.45 -0.781 . . . . 0.0 112.299 176.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.32 -38.79 92.52 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.405 -0.81 . . . . 0.0 112.742 171.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mt -65.74 -41.21 92.47 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.695 -0.669 . . . . 0.0 111.914 170.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 45.5 m -58.94 -45.8 89.53 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.983 1.265 . . . . 0.0 111.708 171.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -61.54 -39.95 92.9 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.583 1.953 . . . . 0.0 112.446 175.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.08 -58.12 10.05 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.778 0.717 . . . . 0.0 110.371 167.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.8 t -52.53 -41.02 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 125.082 1.353 . . . . 0.0 112.908 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.55 -23.06 65.38 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.32 1.448 . . . . 0.0 114.63 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -135.77 24.14 3.37 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.296 1.438 . . . . 0.0 112.249 -171.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.86 -23.1 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -154.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.92 -5.99 40.17 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 120.094 1.315 . . . . 0.0 114.415 172.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -119.81 3.25 11.09 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.654 2.382 . . . . 0.0 112.453 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -61.81 -17.73 0.42 Allowed Pre-proline 0 CA--C 1.546 0.795 0 N-CA-C 117.862 2.542 . . . . 0.0 117.862 -178.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.53 ' HA ' HG12 ' A' ' 135' ' ' VAL . 85.7 Cg_exo -45.92 -42.87 20.21 Favored 'Trans proline' 0 C--N 1.361 1.223 0 CA-C-N 123.936 2.441 . . . . 0.0 114.222 168.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -75.82 -50.62 14.64 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.328 0.651 . . . . 0.0 110.803 173.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.52 -16.13 63.77 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -170.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.42 HD11 HG13 ' A' ' 135' ' ' VAL . 84.0 mt -101.6 5.64 41.73 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.164 1.386 . . . . 0.0 112.984 173.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.7 t -57.61 -37.9 74.04 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 120.848 -1.157 . . . . 0.0 113.614 -177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.9 -25.8 61.32 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.717 1.144 . . . . 0.0 113.434 174.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 mt -89.14 -34.06 16.84 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.687 1.195 . . . . 0.0 110.677 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.2 t -57.98 -46.07 85.75 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 117.941 -1.028 . . . . 0.0 111.127 162.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -54.97 -51.22 66.86 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.439 1.472 . . . . 0.0 112.588 172.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.26 -53.46 28.25 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.511 0.725 . . . . 0.0 111.148 171.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -18.65 61.22 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -178.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.03 -11.9 12.67 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 121.176 1.807 . . . . 0.0 114.309 -170.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.26 -5.01 2.67 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.373 1.469 . . . . 0.0 113.981 178.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -130.1 -42.34 1.23 Allowed 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 115.316 1.598 . . . . 0.0 115.316 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.48 -54.8 2.59 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 23.0 mtm105 46.34 48.96 13.32 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 126.294 1.837 . . . . 0.0 114.547 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.484 HG23 ' CZ ' ' A' ' 42' ' ' TYR . 87.2 t -86.11 139.18 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.749 0.82 . . . . 0.0 111.187 177.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -41.66 128.24 2.41 Favored Pre-proline 0 CA--C 1.555 1.138 0 C-N-CA 127.658 2.383 . . . . 0.0 113.906 168.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -50.51 -15.66 1.69 Allowed 'Trans proline' 0 C--N 1.357 0.98 1 C-N-CA 125.306 4.004 . . . . 0.0 117.698 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.8 p -48.42 -36.07 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 120.827 -1.171 . . . . 0.0 112.327 169.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -65.94 -38.48 88.73 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.552 -0.737 . . . . 0.0 112.628 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -50.65 72.15 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.243 0.928 . . . . 0.0 110.156 172.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -54.58 -48.68 71.81 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.9 0.88 . . . . 0.0 110.479 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.94 -56.98 14.68 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.624 0.769 . . . . 0.0 112.352 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -41.42 87.34 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.912 0.778 . . . . 0.0 111.906 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.7 m -68.62 -43.42 76.4 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.248 0.931 . . . . 0.0 112.904 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -46.4 90.35 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.731 -0.606 . . . . 0.0 110.78 172.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 94.1 m -62.68 -39.42 93.9 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 117.958 -1.02 . . . . 0.0 111.821 176.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.8 mt -56.53 -55.94 27.5 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 120.468 1.485 . . . . 0.0 111.405 172.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.2 mt -48.26 -49.4 33.59 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.191 0.905 . . . . 0.0 111.224 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.22 -46.01 97.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 123.697 0.799 . . . . 0.0 112.548 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 87.2 m -64.62 -43.42 93.79 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.429 -0.795 . . . . 0.0 112.401 177.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.6 mt -58.62 -46.81 86.25 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.107 0.867 . . . . 0.0 109.514 176.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.97 -16.71 64.52 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.85 -12.58 50.08 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 119.408 1.004 . . . . 0.0 113.024 169.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -132.15 -14.01 3.07 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.992 1.317 . . . . 0.0 114.528 -175.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.2 mp -104.83 154.96 38.23 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 125.437 1.495 . . . . 0.0 110.807 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -52.87 -37.01 76.67 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 124.121 3.214 . . . . 0.0 115.819 -170.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.47 -33.79 0.1 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.088 0.955 . . . . 0.0 113.202 174.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 63.46 -4.28 0.33 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 116.018 1.858 . . . . 0.0 116.018 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.42 29.31 2.7 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.106 1.362 . . . . 0.0 111.37 -178.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.6 p -54.36 166.27 0.73 Allowed Pre-proline 0 N--CA 1.477 0.921 0 O-C-N 121.266 -0.896 . . . . 0.0 110.452 173.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -49.11 -38.11 39.72 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.105 1.87 . . . . 0.0 115.434 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.15 -53.03 7.07 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.796 0.331 . . . . 0.0 111.198 172.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.9 -34.06 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.075 -1.016 . . . . 0.0 112.172 -168.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -65.17 -51.14 62.94 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.639 1.563 . . . . 0.0 111.847 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.41 86.64 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.433 0.293 . . . . 0.0 110.959 173.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.0 m -58.14 -56.54 20.74 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.1 0.56 . . . . 0.0 111.949 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -75.26 -42.55 54.84 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.993 0.917 . . . . 0.0 112.01 -174.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -60.63 -51.07 70.95 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.814 1.188 . . . . 0.0 111.644 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.291 0.0 OUTLIER -71.08 -28.29 64.23 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 178.768 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -64.59 -50.8 65.78 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.791 1.178 . . . . 0.0 111.424 170.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.38 -36.84 81.38 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.96 0.8 . . . . 0.0 111.399 175.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.92 -54.5 46.27 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 118.514 -0.755 . . . . 0.0 111.172 170.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 69.3 m -60.9 -40.01 91.51 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.193 1.361 . . . . 0.0 114.163 177.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 55.5 t -55.67 -45.38 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-N 119.352 0.978 . . . . 0.0 110.476 171.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 67.9 m -74.2 -37.22 63.96 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 178.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 95.8 m -53.19 -44.97 68.36 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.213 1.37 . . . . 0.0 110.187 167.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' A' ' 77' ' ' PRO . 20.6 t -67.33 -46.05 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 124.438 1.095 . . . . 0.0 112.928 174.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -45.46 93.25 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.743 1.156 . . . . 0.0 112.024 176.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 92.5 m -66.77 -31.48 72.15 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.381 1.473 . . . . 0.0 113.146 176.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.47 0.546 0 C-N-CA 123.95 0.9 . . . . 0.0 111.018 172.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.331 2.5 p . . . . . 0 N--CA 1.514 2.75 0 CA-C-O 117.136 -1.411 . . . . 0.0 113.119 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 20.75 78.96 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 127.834 2.454 . . . . 0.0 116.109 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.26 160.84 17.81 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.014 175.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.534 ' HG1' ' H ' ' B' ' 7' ' ' GLU . 5.5 p -64.97 154.14 87.09 Favored Pre-proline 0 N--CA 1.479 1.0 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.354 164.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.4 -35.68 85.3 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 122.551 2.167 . . . . 0.0 113.993 174.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.12 -43.62 67.25 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.438 0.695 . . . . 0.0 111.831 176.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.534 ' H ' ' HG1' ' B' ' 4' ' ' THR . 35.6 mt-10 -67.36 -38.78 85.32 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.33 -0.857 . . . . 0.0 112.216 175.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -53.39 -49.82 66.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.311 1.444 . . . . 0.0 111.029 168.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.3 t -59.39 -47.27 86.09 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.053 0.388 . . . . 0.0 111.774 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.86 -50.73 67.97 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.065 0.946 . . . . 0.0 113.48 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.34 -57.57 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 118.186 0.448 . . . . 0.0 111.616 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.2 m -70.06 -33.82 72.43 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.124 -0.985 . . . . 0.0 113.174 -168.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.92 -38.37 90.72 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 119.75 1.159 . . . . 0.0 112.416 175.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -31.96 66.37 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.645 -0.66 . . . . 0.0 112.219 174.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -36.71 82.68 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 120.936 -1.103 . . . . 0.0 112.898 166.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.12 -39.42 92.17 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.773 1.178 . . . . 0.0 114.312 174.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -89.91 -13.58 36.03 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.476 HG23 HG13 ' B' ' 23' ' ' VAL . 0.4 OUTLIER -60.92 146.06 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.219 1.007 . . . . 0.0 113.263 -174.115 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -95.26 76.69 3.43 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.8 1.24 . . . . 0.0 109.428 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 95.1 t -47.61 -39.19 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -165.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -63.75 -60.42 3.32 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.898 0.879 . . . . 0.0 112.326 174.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -69.47 -49.69 52.51 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.53 0.732 . . . . 0.0 111.324 -174.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.476 HG13 HG23 ' B' ' 18' ' ' VAL . 0.5 OUTLIER -65.99 -27.94 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.498 1.119 . . . . 0.0 112.235 179.073 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.95 -42.53 8.8 Favored Glycine 0 N--CA 1.468 0.801 0 CA-C-N 119.308 0.958 . . . . 0.0 112.195 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.02 -41.62 92.54 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-N 118.1 0.95 . . . . 0.0 111.765 167.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -62.56 -55.57 26.04 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 118.107 0.953 . . . . 0.0 112.52 168.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.97 -42.37 65.47 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 121.228 1.831 . . . . 0.0 113.403 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.535 HD21 ' HD1' ' B' ' 63' ' ' HIS . 27.5 tp -77.95 -54.62 6.09 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.762 0.825 . . . . 0.0 112.005 176.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.62 -45.25 96.21 Favored Glycine 0 N--CA 1.469 0.898 0 O-C-N 120.414 -1.429 . . . . 0.0 112.635 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.482 ' HA ' HG23 ' B' ' 33' ' ' VAL . 1.9 mmt180 -70.9 -10.18 59.15 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.763 1.225 . . . . 0.0 112.917 175.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -77.61 -44.36 28.57 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 120.122 1.328 . . . . 0.0 109.819 161.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.8 -25.52 67.95 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.462 -1.399 . . . . 0.0 113.299 175.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.482 HG23 ' HA ' ' B' ' 30' ' ' ARG . 5.1 m -75.27 -17.07 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 CA-C-N 120.535 1.516 . . . . 0.0 115.073 176.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.71 3.07 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-N 121.508 1.958 . . . . 0.0 113.685 -177.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 48.74 42.55 1.28 Allowed Pre-proline 0 CA--C 1.563 1.452 0 C-N-CA 125.817 1.647 . . . . 0.0 115.301 -163.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -75.72 168.17 24.85 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 123.666 2.911 . . . . 0.0 113.971 -173.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -24.57 65.61 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 170.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 25.4 p -60.84 -24.06 65.6 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 120.446 -1.409 . . . . 0.0 113.664 171.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -61.52 -8.95 4.83 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.913 -1.117 . . . . 0.0 113.512 -178.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -53.4 -33.37 53.55 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 118.967 -2.333 . . . . 0.0 113.559 170.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -88.31 9.08 24.45 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -49.77 -28.97 6.93 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 175.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -55.31 -14.06 1.65 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.17 1.788 . . . . 0.0 115.181 171.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 50.4 m -108.07 16.02 23.74 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.913 2.085 . . . . 0.0 113.486 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -117.62 4.77 12.35 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.743 1.217 . . . . 0.0 113.666 -178.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.95 -35.5 2.12 Favored Glycine 0 CA--C 1.533 1.216 0 N-CA-C 117.055 1.582 . . . . 0.0 117.055 162.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -141.39 -91.0 0.15 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.391 1.595 . . . . 0.0 111.785 -176.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 44.0 1.07 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 120.177 3.399 . . . . 0.0 120.177 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -59.91 -21.48 61.15 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 120.279 1.399 . . . . 0.0 114.298 -167.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 64.2 p -124.27 157.42 64.56 Favored Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 125.346 1.458 . . . . 0.0 110.598 164.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -55.76 -40.59 84.34 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.787 2.325 . . . . 0.0 114.715 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.85 -39.59 92.38 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.638 -0.664 . . . . 0.0 112.032 175.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.52 99.3 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.82 -26.0 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 119.719 1.145 . . . . 0.0 113.356 178.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -36.71 45.2 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.213 0.915 . . . . 0.0 112.925 174.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.28 -27.63 19.97 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 115.17 0.828 . . . . 0.0 115.17 -173.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.3 133.46 84.81 Favored Pre-proline 0 CA--C 1.555 1.149 0 CA-C-N 118.312 1.056 . . . . 0.0 113.613 -174.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.18 -32.74 16.26 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.766 2.31 . . . . 0.0 114.004 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -59.56 -45.86 90.58 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 120.481 1.492 . . . . 0.0 110.966 173.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 60.2 t -61.21 -37.09 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 CA-C-N 119.299 0.954 . . . . 0.0 112.773 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -68.77 -49.77 55.94 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 120.095 1.316 . . . . 0.0 112.795 174.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.66 98.45 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.896 0.878 . . . . 0.0 112.421 176.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' HIS . . . . . 0.535 ' HD1' HD21 ' B' ' 28' ' ' LEU . 3.9 t-80 -68.22 -33.37 74.28 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.14 -0.975 . . . . 0.0 111.669 175.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.12 -48.69 58.27 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 126.092 1.806 . . . . 0.0 113.377 165.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -59.81 -42.56 93.75 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 117.892 0.846 . . . . 0.0 112.048 171.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -62.52 -53.87 48.29 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.288 0.949 . . . . 0.0 113.007 176.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 12.3 p -58.22 -46.68 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-N 119.917 1.235 . . . . 0.0 112.082 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 tt -68.88 -39.33 79.86 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.279 -0.888 . . . . 0.0 111.818 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.79 -39.56 47.5 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.485 1.517 . . . . 0.0 113.697 171.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.43 -50.44 69.77 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.207 1.004 . . . . 0.0 111.903 168.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -58.97 -35.1 72.62 Favored 'General case' 0 CA--C 1.554 1.111 0 O-C-N 120.363 -1.46 . . . . 0.0 114.015 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 98.5 p -74.55 -37.67 62.94 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.227 -1.545 . . . . 0.0 113.434 173.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -56.95 -32.62 66.2 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.464 1.029 . . . . 0.0 111.578 164.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.12 -60.23 9.35 Favored Glycine 0 CA--C 1.523 0.532 0 C-N-CA 123.885 0.755 . . . . 0.0 111.812 170.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.5 mt -58.81 -26.8 64.45 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 178.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.75 -18.78 43.04 Favored 'General case' 0 CA--C 1.554 1.098 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 173.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -140.28 34.48 1.89 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.817 1.247 . . . . 0.0 113.282 -170.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 84.9 mt -55.83 -21.64 20.71 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -57.88 -33.09 68.33 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.174 1.39 . . . . 0.0 114.311 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -162.18 65.45 0.23 Allowed 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.382 0.992 . . . . 0.0 113.112 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 98.4 mt -45.81 -46.44 15.44 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.886 1.274 . . . . 0.0 113.717 -175.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -4.4 3.69 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.92 -10.21 52.76 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.347 1.451 . . . . 0.0 114.464 172.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 3.4 m -119.07 -28.76 5.42 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.048 1.339 . . . . 0.0 111.922 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -90.48 -4.67 56.8 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.305 1.042 . . . . 0.0 113.625 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.99 -37.77 61.68 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 -165.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 19.2 p -63.14 -41.72 99.34 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.129 0.972 . . . . 0.0 112.185 173.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 50.5 mt -66.81 -42.81 85.29 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 124.146 0.978 . . . . 0.0 110.969 171.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 7.0 m -61.84 -37.86 86.05 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 120.363 1.438 . . . . 0.0 112.613 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.78 -51.14 66.16 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.018 0.927 . . . . 0.0 111.959 171.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 21.8 tp -50.38 -52.78 34.32 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.272 -0.892 . . . . 0.0 111.427 171.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -71.24 8.97 0.85 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.26 1.424 . . . . 0.0 114.811 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 43.3 t -131.65 -70.0 0.6 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.315 1.046 . . . . 0.0 110.721 173.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -65.86 -16.5 63.89 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.155 1.382 . . . . 0.0 114.294 -175.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.35 -36.97 5.65 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.439 1.096 . . . . 0.0 112.696 166.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 12.5 mt -133.72 51.56 2.13 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.668 1.187 . . . . 0.0 113.747 -166.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -61.92 25.55 0.01 OUTLIER 'General case' 0 CA--C 1.567 1.598 0 C-N-CA 127.22 2.208 . . . . 0.0 116.808 -177.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 9.2 m -55.48 155.97 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.819 1.648 . . . . 0.0 113.272 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -56.36 136.77 75.87 Favored Pre-proline 0 CA--C 1.558 1.271 0 O-C-N 120.708 -1.245 . . . . 0.0 113.312 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -45.25 -31.69 6.48 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 123.977 3.118 . . . . 0.0 116.585 173.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.98 -31.95 70.39 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.027 -1.671 . . . . 0.0 113.038 175.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -58.14 -37.77 75.28 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.095 -1.003 . . . . 0.0 111.768 175.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -68.94 -45.8 69.82 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.664 1.186 . . . . 0.0 110.929 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -38.47 69.94 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 118.868 -0.587 . . . . 0.0 112.193 172.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.01 -50.2 67.22 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.405 1.002 . . . . 0.0 111.701 177.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.84 -46.49 78.16 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 122.804 0.442 . . . . 0.0 110.368 174.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -59.05 -44.22 96.44 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 124.532 1.063 . . . . 0.0 115.009 175.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -60.9 -46.0 92.38 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.532 1.166 . . . . 0.0 111.102 175.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 92.1 t -62.33 -37.18 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 O-C-N 121.036 -1.04 . . . . 0.0 112.912 172.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 56.8 tp -57.96 -56.28 24.05 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 119.05 0.841 . . . . 0.0 110.469 171.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 17.8 m -64.16 -28.43 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-N 120.011 1.278 . . . . 0.0 113.421 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 4.7 m -53.72 -63.83 1.02 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 117.933 -1.032 . . . . 0.0 111.402 168.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 3.1 p -51.38 -36.89 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 120.145 1.339 . . . . 0.0 113.773 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.18 -48.33 78.83 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 121.458 -0.776 . . . . 0.0 110.816 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.98 12.66 0.5 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.201 1.401 . . . . 0.0 113.908 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -118.36 -53.27 2.35 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.903 1.281 . . . . 0.0 110.107 177.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -69.79 -31.3 69.13 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.529 -0.732 . . . . 0.0 112.508 172.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -119.0 32.73 5.98 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.633 1.573 . . . . 0.0 110.965 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -56.99 -31.64 61.69 Favored Glycine 0 CA--C 1.538 1.525 0 O-C-N 120.491 -1.381 . . . . 0.0 114.661 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -66.89 -16.07 64.07 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.697 1.199 . . . . 0.0 113.91 172.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -109.6 14.72 23.31 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.222 2.209 . . . . 0.0 111.809 -174.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -65.67 83.54 0.07 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.552 1.541 . . . . 0.0 112.556 -177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.78 158.07 84.38 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 124.319 1.048 . . . . 0.0 112.306 -178.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . 0.486 ' CB ' ' HD3' ' B' ' 125' ' ' PRO 0.386 2.9 Cg_exo -27.73 -92.21 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.088 1 C-N-CA 127.105 5.203 . . . . 0.0 118.622 -169.298 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . 0.486 ' HD3' ' CB ' ' B' ' 124' ' ' PRO . 23.1 Cg_exo -82.61 25.69 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 CA-C-N 124.455 2.627 . . . . 0.0 116.975 169.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 6.2 p -51.51 -41.22 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 CA-C-N 122.473 2.397 . . . . 0.0 114.559 -168.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -59.36 -48.17 82.65 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.306 0.957 . . . . 0.0 111.296 173.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.27 -37.28 86.65 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.425 1.09 . . . . 0.0 112.835 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.32 -51.85 64.3 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.778 0.831 . . . . 0.0 110.205 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -57.65 -46.97 83.52 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 118.596 -0.716 . . . . 0.0 112.056 169.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -56.68 -33.07 66.06 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.904 1.229 . . . . 0.0 113.188 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -68.11 -45.64 73.12 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 120.449 1.477 . . . . 0.0 113.742 172.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 4.1 p -67.29 -38.1 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 CA-C-N 120.407 1.458 . . . . 0.0 111.627 173.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 25.4 t -60.54 -44.9 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.608 1.163 . . . . 0.0 111.581 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.82 -42.44 97.66 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.701 0.801 . . . . 0.0 112.079 172.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.32 -46.37 86.81 Favored Glycine 0 N--CA 1.473 1.101 0 O-C-N 121.785 -0.572 . . . . 0.0 112.897 172.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 50.2 t -66.3 -44.23 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.001 0.92 . . . . 0.0 111.792 176.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.08 -47.96 76.99 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.035 0.834 . . . . 0.0 111.744 173.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -65.13 -38.09 89.53 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.964 0.906 . . . . 0.0 113.082 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.12 -43.31 92.36 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.244 1.017 . . . . 0.0 112.527 174.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.24 -38.25 89.77 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.932 -1.105 . . . . 0.0 111.975 171.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.87 -5.35 16.25 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 170.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -55.88 -44.85 78.55 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 119.777 -1.827 . . . . 0.0 112.88 -175.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -66.25 -2.93 4.85 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 CA--C 1.543 0.676 0 C-N-CA 124.184 0.993 . . . . 0.0 111.514 -178.834 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.509 2.482 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 37.0 mt -144.87 -171.55 3.65 Favored 'General case' 0 N--CA 1.484 1.275 0 O-C-N 120.242 -1.536 . . . . 0.0 111.946 -172.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.45 154.75 77.37 Favored Pre-proline 0 N--CA 1.489 1.479 0 C-N-CA 125.466 1.506 . . . . 0.0 111.778 -168.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -76.46 -51.48 0.1 OUTLIER 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.218 1.945 . . . . 0.0 114.755 -168.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.53 84.99 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.508 -0.745 . . . . 0.0 112.25 -176.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.62 -40.7 92.86 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.514 0.725 . . . . 0.0 111.877 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -56.26 -46.01 79.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 117.993 -1.004 . . . . 0.0 111.849 170.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 63.2 m -56.58 -42.42 78.63 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 120.163 1.347 . . . . 0.0 112.11 176.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -66.74 -35.66 80.63 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.106 -0.996 . . . . 0.0 112.68 174.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.56 -43.53 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 CA-C-N 119.264 0.938 . . . . 0.0 111.231 168.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -60.18 -45.81 91.85 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.447 1.021 . . . . 0.0 111.111 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.01 -50.34 74.47 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.265 0.626 . . . . 0.0 111.169 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.17 -57.84 11.07 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.403 0.681 . . . . 0.0 112.394 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -66.31 -24.03 66.47 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.424 -0.797 . . . . 0.0 112.937 -177.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.83 -50.58 64.45 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 124.853 1.216 . . . . 0.0 113.234 171.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -26.13 63.17 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 118.637 1.218 . . . . 0.0 112.483 175.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 88.5 t -68.12 -20.32 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.467 1.107 . . . . 0.0 113.23 172.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.2 141.18 4.36 Favored Glycine 0 CA--C 1.542 1.755 0 C-N-CA 124.785 1.183 . . . . 0.0 114.656 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 60.97 -35.2 0.09 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 128.273 2.629 . . . . 0.0 116.542 -169.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -77.59 -14.0 59.76 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.864 1.265 . . . . 0.0 113.605 173.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.46 -48.06 62.93 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.222 1.409 . . . . 0.0 114.313 -166.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.99 -35.46 92.11 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 121.776 -0.577 . . . . 0.0 113.573 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.51 -44.88 89.53 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.901 0.88 . . . . 0.0 110.578 173.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -66.51 -34.99 79.16 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.61 -48.92 77.97 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 118.996 0.817 . . . . 0.0 112.384 170.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.76 91.78 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.75 0.82 . . . . 0.0 112.118 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.98 -40.49 95.05 Favored 'General case' 0 C--O 1.223 -0.304 0 O-C-N 121.336 -0.853 . . . . 0.0 113.123 173.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.74 -38.01 88.84 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 120.839 1.654 . . . . 0.0 112.302 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -64.44 -50.76 66.28 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.22 1.008 . . . . 0.0 111.215 172.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -60.28 -43.51 96.18 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.432 -0.792 . . . . 0.0 111.701 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -60.69 -40.4 92.05 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.282 1.433 . . . . 0.0 111.542 173.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 13.4 tmm? -61.41 -51.45 68.68 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.404 1.002 . . . . 0.0 111.937 171.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -63.16 -41.18 99.21 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.41 -32.58 62.72 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.914 0.779 . . . . 0.0 112.911 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 71.1 m -78.12 -18.53 55.54 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -146.94 69.17 11.88 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 123.615 0.766 . . . . 0.0 110.495 -170.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -62.04 -13.76 33.39 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.584 2.856 . . . . 0.0 115.433 -166.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 2.2 p -54.07 -24.96 19.25 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.492 1.517 . . . . 0.0 114.578 163.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 72.7 p -74.72 -35.6 62.69 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.124 1.329 . . . . 0.0 113.152 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -56.08 -34.73 66.26 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 121.305 -0.872 . . . . 0.0 113.298 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 2.4 t -55.69 -26.86 47.06 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' TYR . . . . . 0.486 ' CZ ' HG22 ' C' ' 93' ' ' VAL . 0.6 OUTLIER -63.4 -21.85 66.53 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -174.765 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 30.67 59.02 0.98 Allowed Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 126.878 2.071 . . . . 0.0 113.378 -177.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -46.67 -57.08 2.47 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 124.178 3.252 . . . . 0.0 115.064 -161.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -161.18 17.73 0.11 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.605 1.562 . . . . 0.0 112.699 161.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.68 -176.85 4.55 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.122 1.369 . . . . 0.0 113.327 -162.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -130.78 144.11 51.22 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.451 1.5 . . . . 0.0 109.183 175.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.9 27.81 4.56 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.605 1.562 . . . . 0.0 112.834 -163.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 97.6 p -57.4 167.78 0.91 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.002 1.321 . . . . 0.0 113.763 170.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -57.84 114.51 2.34 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.051 -1.031 . . . . 0.0 110.971 174.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.84 5.38 62.82 Favored Glycine 0 CA--C 1.538 1.511 0 CA-C-O 118.709 -1.051 . . . . 0.0 115.589 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.49 116.28 3.55 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.443 1.621 . . . . 0.0 113.783 -173.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.61 -33.56 64.08 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.219 1.008 . . . . 0.0 113.259 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -62.48 -38.63 90.61 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.664 0.786 . . . . 0.0 112.147 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 65.4 t -69.03 -36.03 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.654 0.782 . . . . 0.0 111.311 173.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -63.99 -45.66 88.04 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.509 1.049 . . . . 0.0 111.621 175.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.21 -51.67 57.39 Favored Glycine 0 N--CA 1.471 0.996 0 C-N-CA 124.052 0.834 . . . . 0.0 112.46 174.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -55.69 -44.22 77.16 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.952 0.901 . . . . 0.0 111.974 173.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -57.93 -49.08 78.02 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 120.894 -1.129 . . . . 0.0 113.689 174.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -55.58 -43.69 76.21 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.097 0.959 . . . . 0.0 112.258 171.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -50.35 68.65 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 118.229 -0.891 . . . . 0.0 112.702 175.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 69.0 t -56.03 -43.52 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 120.352 1.433 . . . . 0.0 111.415 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.65 -49.81 73.68 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 175.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -59.85 -35.9 75.75 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.528 -0.733 . . . . 0.0 112.269 176.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.08 93.56 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 121.512 -0.742 . . . . 0.0 112.82 171.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mt -65.47 -41.32 93.46 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 118.664 -0.684 . . . . 0.0 111.802 170.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 48.6 m -59.01 -45.84 89.68 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.959 1.254 . . . . 0.0 111.624 171.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -61.45 -39.92 92.58 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.503 1.921 . . . . 0.0 112.402 175.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.08 -58.23 9.55 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.694 0.679 . . . . 0.0 110.29 167.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 74.4 t -52.09 -41.44 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 125.123 1.369 . . . . 0.0 112.943 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.33 -22.92 65.58 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.401 1.48 . . . . 0.0 114.794 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -135.93 23.97 3.32 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.303 1.441 . . . . 0.0 112.351 -171.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.71 -23.08 25.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 N-CA-C 117.001 2.223 . . . . 0.0 117.001 -154.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.92 -6.11 39.91 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 120.205 1.366 . . . . 0.0 114.314 172.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -119.69 3.24 11.16 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.706 2.402 . . . . 0.0 112.451 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -62.39 -17.06 0.38 Allowed Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 117.995 2.591 . . . . 0.0 117.995 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . 0.537 ' HA ' HG12 ' C' ' 135' ' ' VAL . 87.3 Cg_exo -46.23 -42.87 21.68 Favored 'Trans proline' 0 C--N 1.358 1.051 0 CA-C-N 123.881 2.422 . . . . 0.0 113.996 167.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -75.92 -50.4 15.09 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.126 0.57 . . . . 0.0 110.753 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.63 -16.28 63.79 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -170.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 80' ' ' LEU . . . . . 0.413 HD11 HG13 ' C' ' 135' ' ' VAL . 84.2 mt -101.36 5.65 42.33 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.055 1.342 . . . . 0.0 113.106 173.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 14.4 t -57.62 -38.01 74.27 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.719 -1.238 . . . . 0.0 113.514 -177.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.49 -26.14 60.83 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.898 1.226 . . . . 0.0 113.495 174.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 mt -89.0 -34.13 16.94 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.536 1.134 . . . . 0.0 110.709 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 13.1 t -57.94 -45.92 85.87 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 117.976 -1.012 . . . . 0.0 111.165 163.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -55.04 -51.13 67.27 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.489 1.495 . . . . 0.0 112.569 172.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.38 -53.39 29.56 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.385 0.674 . . . . 0.0 111.145 171.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -18.42 61.2 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -178.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.25 -11.64 12.57 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 121.128 1.785 . . . . 0.0 114.309 -170.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.4 -5.13 2.61 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.336 1.454 . . . . 0.0 113.96 178.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -129.98 -42.49 1.24 Allowed 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.48 -54.76 2.6 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 23.1 mtm105 46.39 49.1 13.38 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 126.234 1.814 . . . . 0.0 114.443 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . 0.486 HG22 ' CZ ' ' C' ' 42' ' ' TYR . 89.9 t -86.0 139.19 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.75 0.82 . . . . 0.0 111.275 177.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -41.69 127.94 2.44 Favored Pre-proline 0 CA--C 1.554 1.104 0 C-N-CA 127.929 2.492 . . . . 0.0 113.88 168.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -50.22 -15.97 1.65 Allowed 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 125.272 3.981 . . . . 0.0 117.659 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 9.8 p -48.34 -36.06 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.74 1.155 . . . . 0.0 112.325 169.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -66.1 -38.34 88.0 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.416 -0.802 . . . . 0.0 112.686 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -50.41 72.9 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.292 0.951 . . . . 0.0 110.266 172.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -54.79 -48.68 72.41 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.829 0.852 . . . . 0.0 110.412 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.8 -57.21 13.63 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.843 0.857 . . . . 0.0 112.286 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -41.28 87.14 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.008 0.822 . . . . 0.0 112.072 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 70.7 m -68.46 -43.46 76.94 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.201 0.91 . . . . 0.0 112.929 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -46.19 91.37 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.793 -0.567 . . . . 0.0 110.755 172.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 93.4 m -62.76 -39.58 94.58 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-O 117.88 -1.057 . . . . 0.0 111.721 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 23.1 mt -56.24 -56.28 22.95 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 120.57 1.532 . . . . 0.0 111.46 172.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 8.2 mt -48.15 -49.39 32.59 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.098 0.863 . . . . 0.0 111.248 176.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.12 -46.27 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 123.777 0.831 . . . . 0.0 112.434 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 86.2 m -65.18 -42.75 93.36 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.379 -0.825 . . . . 0.0 112.422 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.21 -47.46 83.41 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.228 0.922 . . . . 0.0 109.589 175.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.62 -17.09 64.64 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.7 -12.52 47.5 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.313 0.96 . . . . 0.0 113.217 169.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -132.21 -13.9 3.05 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -175.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 11.2 mp -104.8 155.12 37.99 Favored Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 125.264 1.426 . . . . 0.0 110.845 177.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -52.94 -37.04 77.46 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 124.111 3.207 . . . . 0.0 115.973 -170.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.28 -33.9 0.1 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.96 0.904 . . . . 0.0 113.281 173.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 63.8 -4.32 0.36 Allowed 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.57 29.0 2.68 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.527 1.531 . . . . 0.0 111.306 -177.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 2.6 p -54.15 166.11 0.71 Allowed Pre-proline 0 N--CA 1.478 0.959 0 O-C-N 121.361 -0.837 . . . . 0.0 110.289 172.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -49.06 -38.12 39.23 Favored 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 122.053 1.835 . . . . 0.0 115.447 174.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.97 -53.28 6.89 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.819 0.342 . . . . 0.0 111.359 172.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.68 -34.1 65.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 O-C-N 121.177 -0.952 . . . . 0.0 112.165 -168.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -64.99 -51.13 63.38 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 120.833 1.651 . . . . 0.0 112.145 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.9 -44.35 86.73 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 117.834 0.288 . . . . 0.0 110.784 173.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 49.4 m -58.33 -56.64 19.48 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.008 0.523 . . . . 0.0 112.119 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -75.05 -42.36 57.26 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.561 0.745 . . . . 0.0 111.843 -174.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -60.66 -51.18 70.48 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.757 1.162 . . . . 0.0 111.476 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . 0.286 0.0 OUTLIER -71.1 -28.26 64.19 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 178.709 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -64.5 -50.78 66.05 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 119.843 1.201 . . . . 0.0 111.445 170.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.65 -36.54 81.1 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.831 0.742 . . . . 0.0 111.423 175.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.96 -54.52 46.0 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 118.457 -0.783 . . . . 0.0 111.313 170.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 68.0 m -60.74 -40.17 91.4 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 120.339 1.427 . . . . 0.0 114.1 177.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 55.9 t -55.65 -45.36 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.493 1.042 . . . . 0.0 110.43 171.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 68.7 m -74.06 -37.35 64.29 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 95.0 m -53.05 -45.1 67.92 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 120.298 1.408 . . . . 0.0 110.209 167.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 135' ' ' VAL . . . . . 0.537 HG12 ' HA ' ' C' ' 77' ' ' PRO . 20.2 t -67.41 -45.64 85.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 124.289 1.036 . . . . 0.0 113.083 175.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -45.56 93.41 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.7 1.137 . . . . 0.0 111.968 176.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 91.7 m -66.6 -31.51 72.26 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.455 1.502 . . . . 0.0 113.245 175.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 N--CA 1.47 0.569 0 C-N-CA 123.907 0.883 . . . . 0.0 111.011 172.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.326 2.5 p . . . . . 0 N--CA 1.514 2.732 0 CA-C-O 117.077 -1.439 . . . . 0.0 113.002 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 20.77 78.97 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 127.932 2.493 . . . . 0.0 116.151 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.35 160.82 18.11 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.938 -0.476 . . . . 0.0 111.027 175.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.535 ' HG1' ' H ' ' D' ' 7' ' ' GLU . 5.5 p -64.86 154.28 86.29 Favored Pre-proline 0 N--CA 1.478 0.946 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.446 164.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.49 -35.64 85.97 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.48 2.12 . . . . 0.0 114.09 174.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.2 -43.6 67.06 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.478 0.711 . . . . 0.0 111.824 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 7' ' ' GLU . . . . . 0.535 ' H ' ' HG1' ' D' ' 4' ' ' THR . 35.4 mt-10 -67.48 -38.53 84.54 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.324 -0.86 . . . . 0.0 112.139 175.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -53.65 -49.65 67.45 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.283 1.433 . . . . 0.0 110.927 168.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 19.7 t -59.65 -47.07 87.07 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 117.982 0.355 . . . . 0.0 111.621 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.02 -50.58 68.7 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.044 0.938 . . . . 0.0 113.469 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.43 -57.55 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.235 0.47 . . . . 0.0 111.602 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 15.0 m -70.07 -34.06 72.7 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.023 -1.048 . . . . 0.0 112.938 -168.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.56 -38.3 89.54 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.782 1.174 . . . . 0.0 112.455 175.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.28 -30.94 63.76 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.48 -0.763 . . . . 0.0 112.1 174.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -36.92 83.66 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.154 -0.966 . . . . 0.0 112.87 166.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.93 -39.41 91.7 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.893 1.235 . . . . 0.0 114.172 175.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -89.98 -13.33 36.36 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 176.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.493 HG23 HG12 ' D' ' 23' ' ' VAL . 0.4 OUTLIER -60.89 146.09 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 124.049 0.94 . . . . 0.0 113.432 -174.505 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -95.19 76.73 3.46 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.832 1.253 . . . . 0.0 109.448 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 95.7 t -47.65 -39.17 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -165.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -63.7 -60.38 3.38 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.965 0.906 . . . . 0.0 112.302 174.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -69.68 -49.58 52.2 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.449 0.7 . . . . 0.0 111.356 -174.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . 0.493 HG12 HG23 ' D' ' 18' ' ' VAL . 0.5 OUTLIER -66.07 -27.85 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 124.395 1.078 . . . . 0.0 112.291 179.024 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.05 -42.27 8.91 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-N 119.24 0.927 . . . . 0.0 112.267 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.39 -41.31 93.12 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 118.014 0.907 . . . . 0.0 111.976 166.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -62.65 -55.62 25.25 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 118.159 0.979 . . . . 0.0 112.568 167.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.94 -42.23 65.24 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 121.346 1.884 . . . . 0.0 113.417 -177.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . 0.533 HD21 ' HD1' ' D' ' 63' ' ' HIS . 28.0 tp -78.38 -54.63 5.98 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.737 0.815 . . . . 0.0 111.951 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.7 -44.78 97.01 Favored Glycine 0 CA--C 1.527 0.818 0 O-C-N 120.48 -1.388 . . . . 0.0 112.876 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 30' ' ' ARG . . . . . 0.505 ' HA ' HG22 ' D' ' 33' ' ' VAL . 1.9 mmt180 -71.02 -10.3 59.52 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.487 1.515 . . . . 0.0 113.157 174.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -77.62 -44.48 28.13 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.274 1.397 . . . . 0.0 109.878 161.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.95 -25.44 67.88 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 120.526 -1.359 . . . . 0.0 113.336 175.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 33' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' D' ' 30' ' ' ARG . 5.0 m -75.18 -17.29 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-N 120.566 1.53 . . . . 0.0 115.068 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.56 2.97 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 CA-C-N 121.445 1.93 . . . . 0.0 113.778 -177.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 48.51 42.72 1.31 Allowed Pre-proline 0 CA--C 1.562 1.418 0 C-N-CA 125.884 1.674 . . . . 0.0 115.276 -163.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -75.63 168.06 25.17 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.566 2.844 . . . . 0.0 113.948 -173.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -24.67 65.08 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.617 1.339 . . . . 0.0 114.617 170.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 26.0 p -61.1 -23.9 65.84 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 120.478 -1.388 . . . . 0.0 113.683 171.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -61.47 -9.05 4.86 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 120.886 -1.134 . . . . 0.0 113.443 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -53.47 -33.42 54.14 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 118.929 -2.357 . . . . 0.0 113.348 170.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -88.25 9.17 23.95 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -49.88 -29.07 7.48 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 175.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -55.25 -14.04 1.59 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.14 1.776 . . . . 0.0 115.178 171.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 50.2 m -108.09 16.06 23.68 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.89 2.076 . . . . 0.0 113.386 176.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -117.6 4.8 12.36 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.691 1.196 . . . . 0.0 113.644 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.97 -35.48 2.12 Favored Glycine 0 CA--C 1.535 1.309 0 N-CA-C 117.105 1.602 . . . . 0.0 117.105 162.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -141.44 -91.04 0.15 Allowed 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 119.277 1.539 . . . . 0.0 111.72 -176.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 43.99 1.04 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 120.143 3.386 . . . . 0.0 120.143 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -59.76 -21.57 60.93 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 120.37 1.441 . . . . 0.0 114.231 -167.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 62.9 p -124.35 157.45 64.67 Favored Pre-proline 0 N--CA 1.47 0.562 0 C-N-CA 125.287 1.435 . . . . 0.0 110.545 164.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -55.84 -40.52 84.65 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.867 2.378 . . . . 0.0 114.678 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.83 -39.63 92.46 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.628 -0.67 . . . . 0.0 111.958 175.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.37 99.25 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.82 -25.97 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-N 119.808 1.185 . . . . 0.0 113.385 178.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.6 -36.75 43.86 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.148 0.885 . . . . 0.0 112.901 174.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.19 -27.72 19.91 Favored Glycine 0 CA--C 1.536 1.344 0 N-CA-C 115.103 0.801 . . . . 0.0 115.103 -174.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.15 133.41 84.26 Favored Pre-proline 0 CA--C 1.557 1.222 0 CA-C-N 118.446 1.123 . . . . 0.0 113.528 -174.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.23 -32.71 16.12 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.741 2.294 . . . . 0.0 114.0 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -59.68 -45.74 91.16 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 120.444 1.474 . . . . 0.0 111.012 173.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.08 -37.16 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 119.403 1.001 . . . . 0.0 112.743 174.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -68.96 -49.48 57.58 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 120.042 1.292 . . . . 0.0 113.029 174.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.63 98.48 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.963 0.905 . . . . 0.0 112.463 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 63' ' ' HIS . . . . . 0.533 ' HD1' HD21 ' D' ' 28' ' ' LEU . 3.9 t-80 -68.16 -33.45 74.5 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.923 -1.111 . . . . 0.0 111.791 174.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.18 -48.68 58.54 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.997 1.761 . . . . 0.0 113.467 165.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -59.81 -42.62 93.87 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 117.865 0.833 . . . . 0.0 112.01 171.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -62.03 -54.41 41.86 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.302 0.955 . . . . 0.0 113.128 175.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 12.8 p -57.77 -46.88 86.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 119.859 1.209 . . . . 0.0 112.118 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 tt -69.19 -39.24 78.79 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.168 -0.957 . . . . 0.0 111.691 177.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.83 -39.51 47.69 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.357 1.456 . . . . 0.0 113.788 171.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.44 -50.34 70.15 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.342 1.071 . . . . 0.0 111.915 168.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -59.09 -34.94 72.58 Favored 'General case' 0 CA--C 1.553 1.086 0 O-C-N 120.411 -1.431 . . . . 0.0 114.117 175.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 98.3 p -74.51 -37.72 63.02 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.262 -1.524 . . . . 0.0 113.445 173.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -56.98 -32.48 66.12 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.403 1.001 . . . . 0.0 111.696 164.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.1 -60.33 9.17 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 123.699 0.666 . . . . 0.0 111.857 170.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 mt -58.66 -26.85 64.22 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.82 -18.64 43.29 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 173.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -140.4 34.48 1.86 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.942 1.297 . . . . 0.0 113.234 -170.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 84.8 mt -55.87 -21.66 21.19 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -57.69 -33.13 68.04 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.122 1.369 . . . . 0.0 114.435 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -162.15 65.49 0.23 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.423 1.01 . . . . 0.0 113.166 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 98.5 mt -45.8 -46.6 15.49 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.838 1.255 . . . . 0.0 113.758 -175.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -4.37 3.56 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 178.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.85 -10.36 52.68 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 125.433 1.492 . . . . 0.0 114.502 172.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 3.4 m -119.06 -28.7 5.44 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.952 1.301 . . . . 0.0 111.982 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -90.48 -4.68 56.79 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.257 1.023 . . . . 0.0 113.667 -177.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.92 -37.95 61.33 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 115.67 1.729 . . . . 0.0 115.67 -165.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 19.4 p -62.98 -41.7 99.63 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.065 0.946 . . . . 0.0 112.29 173.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 50.8 mt -66.98 -42.67 84.67 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 124.188 0.995 . . . . 0.0 110.956 171.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 7.0 m -61.86 -37.97 86.52 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.41 1.459 . . . . 0.0 112.51 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.66 -51.31 65.7 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.939 0.896 . . . . 0.0 111.949 171.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 21.6 tp -50.3 -52.77 33.75 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.246 -0.909 . . . . 0.0 111.354 171.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -71.34 9.02 0.86 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.211 1.404 . . . . 0.0 114.762 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 43.7 t -131.74 -69.99 0.59 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.241 1.016 . . . . 0.0 110.699 173.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.72 -16.73 64.05 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.196 1.398 . . . . 0.0 114.295 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.12 -37.08 5.67 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.257 1.023 . . . . 0.0 112.574 166.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 12.5 mt -133.61 51.62 2.13 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 124.644 1.178 . . . . 0.0 113.745 -166.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -62.09 25.69 0.01 OUTLIER 'General case' 0 CA--C 1.567 1.621 0 C-N-CA 127.24 2.216 . . . . 0.0 116.753 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 9.3 m -55.63 155.98 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.767 1.627 . . . . 0.0 113.372 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -56.33 136.67 75.7 Favored Pre-proline 0 CA--C 1.558 1.259 0 O-C-N 120.649 -1.282 . . . . 0.0 113.257 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -44.65 -32.8 6.18 Favored 'Trans proline' 0 CA--C 1.545 1.07 0 C-N-CA 124.077 3.185 . . . . 0.0 116.206 173.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.38 -32.26 69.98 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 119.979 -1.7 . . . . 0.0 113.029 175.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -57.76 -38.23 75.02 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.035 -1.04 . . . . 0.0 111.697 175.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -68.62 -45.86 70.78 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.669 1.188 . . . . 0.0 111.012 174.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -38.39 69.9 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 118.847 -0.596 . . . . 0.0 112.229 172.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -49.96 67.78 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.509 1.049 . . . . 0.0 111.64 177.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.07 -46.6 78.94 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 122.799 0.44 . . . . 0.0 110.415 174.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.92 -44.27 96.21 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.628 1.109 . . . . 0.0 115.025 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.6 -46.06 91.65 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.647 1.224 . . . . 0.0 111.282 174.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.59 -37.08 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 O-C-N 121.203 -0.936 . . . . 0.0 113.039 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 57.0 tp -57.38 -57.07 14.28 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.187 0.903 . . . . 0.0 110.425 171.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 16.9 m -63.45 -28.76 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 119.824 1.193 . . . . 0.0 113.432 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 6.3 m -53.66 -64.09 0.94 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 117.766 -1.111 . . . . 0.0 111.41 167.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 2.9 p -51.46 -36.84 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 119.994 1.27 . . . . 0.0 113.392 -173.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.12 -47.82 81.15 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.59 -0.694 . . . . 0.0 110.824 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.54 12.99 0.52 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.119 1.367 . . . . 0.0 113.805 173.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -118.41 -53.1 2.35 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.873 1.269 . . . . 0.0 110.163 177.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 -69.75 -31.38 69.31 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.599 -0.688 . . . . 0.0 112.578 172.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -119.05 32.87 5.9 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.57 1.548 . . . . 0.0 110.885 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -57.03 -31.73 61.92 Favored Glycine 0 CA--C 1.539 1.541 0 O-C-N 120.755 -1.216 . . . . 0.0 114.651 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -66.7 -16.07 63.96 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.702 1.201 . . . . 0.0 113.851 171.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -109.72 14.75 23.18 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 127.198 2.199 . . . . 0.0 111.711 -174.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -65.55 83.58 0.06 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.52 1.528 . . . . 0.0 112.547 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.91 158.22 84.22 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 124.32 1.048 . . . . 0.0 112.216 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . 0.491 ' CB ' ' HD3' ' D' ' 125' ' ' PRO 0.386 3.3 Cg_exo -27.96 -91.88 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.028 1 C-N-CA 126.971 5.114 . . . . 0.0 118.544 -169.28 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' D' D ' 125' ' ' PRO . . . . . 0.491 ' HD3' ' CB ' ' D' ' 124' ' ' PRO . 23.5 Cg_exo -83.03 25.9 0.67 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 CA-C-N 124.513 2.647 . . . . 0.0 116.928 169.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 6.2 p -51.79 -41.15 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 CA-C-N 122.272 2.306 . . . . 0.0 114.448 -168.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -59.18 -48.21 82.44 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.31 0.959 . . . . 0.0 111.366 173.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.46 -37.13 86.13 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.251 1.021 . . . . 0.0 112.882 178.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.36 -51.72 64.75 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.581 0.752 . . . . 0.0 110.364 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -57.66 -46.96 83.57 Favored 'General case' 0 C--O 1.222 -0.346 0 O-C-N 121.43 -0.793 . . . . 0.0 112.059 169.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -56.65 -33.1 66.01 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 119.948 1.249 . . . . 0.0 113.174 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -68.11 -45.28 74.11 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 120.435 1.47 . . . . 0.0 113.975 172.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 4.3 p -67.49 -38.46 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-N 120.342 1.428 . . . . 0.0 111.668 173.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.33 -45.1 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 124.739 1.216 . . . . 0.0 111.656 175.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.63 97.84 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.89 0.876 . . . . 0.0 112.063 172.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.19 -46.58 85.44 Favored Glycine 0 N--CA 1.474 1.188 0 O-C-N 121.785 -0.572 . . . . 0.0 112.943 172.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 51.5 t -65.98 -44.3 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.028 0.931 . . . . 0.0 111.907 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.14 -47.96 77.16 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.148 0.886 . . . . 0.0 111.584 173.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -65.04 -38.19 90.05 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.088 0.955 . . . . 0.0 113.003 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.25 -43.29 91.81 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.114 0.966 . . . . 0.0 112.528 175.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.18 -38.15 89.61 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.908 -1.12 . . . . 0.0 112.053 171.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.94 -5.27 16.2 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 170.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -55.96 -44.84 78.86 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 119.853 -1.78 . . . . 0.0 112.884 -175.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -66.19 -3.1 5.02 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -77.49 -21.84 52.19 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.202 1.001 . . . . 0.0 111.689 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 73.0 m80 . . . . . 0 C--O 1.256 1.407 0 C-N-CA 126.191 1.796 . . . . 0.0 112.575 175.544 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.5 m . . . . . 0 N--CA 1.515 2.823 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mp -142.64 -161.71 1.29 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.344 1.458 . . . . 0.0 111.165 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.9 p -115.51 153.09 47.7 Favored Pre-proline 0 N--CA 1.483 1.186 0 CA-C-N 120.178 1.354 . . . . 0.0 112.755 -172.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.33 -35.89 22.5 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.002 1.802 . . . . 0.0 113.763 -162.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.15 77.51 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 177.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.32 -44.39 79.25 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.041 0.837 . . . . 0.0 111.314 174.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -54.64 -48.19 72.58 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.603 0.638 . . . . 0.0 110.956 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.1 m -54.07 -47.93 71.15 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.77 0.828 . . . . 0.0 112.295 176.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -78.39 -28.19 46.9 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.1 -48.89 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-N 119.501 1.046 . . . . 0.0 110.2 167.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -58.06 -47.02 84.43 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.92 0.782 . . . . 0.0 111.27 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.89 -53.45 58.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.283 0.633 . . . . 0.0 112.101 177.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.53 -52.12 66.99 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.873 0.869 . . . . 0.0 112.061 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -65.83 -26.74 67.81 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.592 -0.692 . . . . 0.0 112.844 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.28 -40.83 97.94 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.566 1.079 . . . . 0.0 113.582 169.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -67.84 -37.75 82.29 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 118.551 1.175 . . . . 0.0 111.533 173.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 67.0 t -67.45 -24.5 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.997 1.719 . . . . 0.0 113.666 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.18 121.91 1.1 Allowed Glycine 0 CA--C 1.541 1.682 0 C-N-CA 125.103 1.335 . . . . 0.0 114.054 175.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 84.48 -31.89 0.07 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 129.658 3.183 . . . . 0.0 114.562 -175.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -88.08 -6.35 57.98 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.466 1.106 . . . . 0.0 113.158 170.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.429 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -46.4 -53.04 11.79 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.835 1.654 . . . . 0.0 113.662 -176.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.31 -36.58 89.67 Favored Glycine 0 N--CA 1.471 0.969 0 O-C-N 121.676 -0.64 . . . . 0.0 114.013 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.6 -43.75 84.93 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.329 1.452 . . . . 0.0 111.773 170.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -74.28 -36.22 63.78 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.717 -1.239 . . . . 0.0 113.566 176.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.66 -49.05 72.71 Favored Glycine 0 CA--C 1.533 1.198 0 CA-C-N 119.419 1.009 . . . . 0.0 111.54 168.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.8 -52.07 66.99 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.287 1.035 . . . . 0.0 111.752 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -64.71 -33.97 77.21 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.222 0.919 . . . . 0.0 112.312 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.1 -38.19 78.8 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.861 -1.149 . . . . 0.0 112.488 175.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.0 mt -62.6 -47.99 81.39 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.9 0.88 . . . . 0.0 111.091 169.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -59.03 -45.96 89.41 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.041 0.936 . . . . 0.0 111.512 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -51.36 -55.6 17.61 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.814 1.246 . . . . 0.0 111.874 169.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -54.32 -41.67 69.26 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.319 1.048 . . . . 0.0 112.724 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -65.31 -24.64 67.33 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 176.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -115.09 -13.19 11.85 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -173.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.1 p -75.96 -40.12 54.6 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.073 0.949 . . . . 0.0 111.768 161.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -131.83 81.57 62.68 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 126.0 1.72 . . . . 0.0 110.94 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -52.2 -15.88 4.12 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 124.618 3.546 . . . . 0.0 116.903 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.1 p -53.58 -44.32 69.26 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.41 1.084 . . . . 0.0 112.189 167.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.7 p -59.71 -27.85 66.82 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -177.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -53.3 -35.35 60.03 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.444 1.02 . . . . 0.0 112.133 170.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.58 -20.74 66.43 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 178.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.43 -18.26 65.26 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.447 -0.783 . . . . 0.0 113.07 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.2 79.06 10.02 Favored Pre-proline 0 CA--C 1.552 1.047 0 CA-C-N 119.412 1.006 . . . . 0.0 112.217 174.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.48 24.3 0.28 Allowed 'Trans proline' 0 CA--C 1.553 1.429 0 C-N-CA 125.079 3.853 . . . . 0.0 115.767 -168.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.16 -11.3 4.69 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.927 1.691 . . . . 0.0 113.063 176.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -76.91 123.58 26.49 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.641 0.776 . . . . 0.0 112.211 -168.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -81.85 62.88 5.85 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.19 0.996 . . . . 0.0 111.621 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 pp -65.55 22.32 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 126.735 2.014 . . . . 0.0 115.768 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 m -58.13 160.32 5.06 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.22 1.808 . . . . 0.0 112.855 173.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -57.9 123.94 17.54 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.066 -1.021 . . . . 0.0 110.971 173.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.09 7.1 66.13 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-O 119.048 -0.862 . . . . 0.0 115.216 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.8 t -53.84 108.17 0.33 Allowed 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.058 1.429 . . . . 0.0 114.276 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.9 -32.93 64.18 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.164 0.986 . . . . 0.0 112.516 170.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -66.03 -44.27 85.16 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.09 0.556 . . . . 0.0 111.337 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.07 -35.77 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.536 174.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -63.38 -47.02 83.79 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 120.217 1.371 . . . . 0.0 111.958 174.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.06 -51.57 56.02 Favored Glycine 0 N--CA 1.47 0.945 0 C-N-CA 124.191 0.901 . . . . 0.0 112.259 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -57.89 -41.78 83.29 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.777 -0.837 . . . . 0.0 111.496 173.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.95 -51.1 51.97 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 124.512 1.053 . . . . 0.0 113.712 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -54.48 -43.67 71.93 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 118.651 1.225 . . . . 0.0 112.391 172.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -65.93 -48.57 70.93 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.001 0.818 . . . . 0.0 112.307 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.8 t -54.7 -47.72 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 119.053 0.842 . . . . 0.0 111.033 172.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.429 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -67.75 -40.63 84.1 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -64.16 -37.31 87.01 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.233 -0.917 . . . . 0.0 111.875 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.11 -35.36 80.02 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.484 -0.76 . . . . 0.0 112.991 168.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mt -63.41 -45.28 91.71 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.224 0.92 . . . . 0.0 111.604 168.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.4 m -55.28 -45.87 76.18 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 120.286 1.403 . . . . 0.0 111.9 172.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -61.49 -43.98 97.9 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.996 1.319 . . . . 0.0 112.258 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.04 -50.51 70.74 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.53 -0.731 . . . . 0.0 111.412 170.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.99 -42.46 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.898 0.879 . . . . 0.0 112.055 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.91 -23.79 67.48 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 178.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -134.05 25.11 3.92 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.059 1.343 . . . . 0.0 112.699 -171.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.7 p -60.21 -25.6 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -169.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -71.99 -21.72 61.53 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 120.89 -1.131 . . . . 0.0 113.863 173.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -128.16 24.29 5.97 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 127.602 2.361 . . . . 0.0 111.95 -173.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.2 ttp -51.93 -36.14 27.89 Favored Pre-proline 0 CA--C 1.548 0.883 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -171.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.52 46.6 0.47 Allowed 'Trans proline' 0 CA--C 1.556 1.584 0 C-N-CA 124.403 3.402 . . . . 0.0 114.584 168.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -157.81 -39.05 0.07 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 128.588 2.755 . . . . 0.0 109.464 168.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.41 77.81 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.342 1.057 . . . . 0.0 113.833 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.9 mt -100.36 9.47 42.61 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -175.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 56.6 m -58.13 -31.81 67.54 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -177.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.41 70.26 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 120.849 -1.157 . . . . 0.0 112.973 171.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.2 mt -81.36 -35.04 31.33 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.259 1.023 . . . . 0.0 111.679 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 p -59.66 -43.7 93.83 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 118.727 -0.654 . . . . 0.0 110.458 167.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.65 -49.4 75.14 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.612 1.565 . . . . 0.0 112.385 173.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 tp -47.95 -67.19 0.3 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.723 1.209 . . . . 0.0 110.528 170.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -27.51 68.48 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -171.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.48 -41.7 69.01 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.773 0.829 . . . . 0.0 111.782 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -73.07 -45.55 56.66 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.429 0.692 . . . . 0.0 112.608 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.55 157.56 32.27 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.294 1.438 . . . . 0.0 112.216 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.9 mt 51.74 68.47 0.8 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.654 1.182 . . . . 0.0 113.102 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -63.06 13.52 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 118.042 2.608 . . . . 0.0 118.042 -170.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.0 t 25.37 86.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 129.524 3.13 . . . . 0.0 115.131 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -41.36 122.18 2.12 Favored Pre-proline 0 CA--C 1.549 0.911 0 C-N-CA 123.729 0.812 . . . . 0.0 111.099 164.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -40.8 -32.15 0.82 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 124.622 3.548 . . . . 0.0 116.014 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.4 p -50.56 -41.49 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 120.371 1.441 . . . . 0.0 111.484 174.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -74.36 -28.75 61.27 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 123.693 0.797 . . . . 0.0 111.349 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -57.32 -52.97 63.18 Favored 'General case' 0 C--N 1.344 0.346 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.081 162.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -56.83 -45.12 82.56 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.386 0.994 . . . . 0.0 110.291 -174.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.34 -61.15 2.68 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.251 1.02 . . . . 0.0 111.305 173.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 67.2 tp -57.75 -42.74 84.55 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.333 0.97 . . . . 0.0 112.162 -177.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.7 t -56.66 -53.64 55.31 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 124.757 1.223 . . . . 0.0 110.959 177.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -58.67 -46.83 86.35 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.937 0.495 . . . . 0.0 111.592 177.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 88.5 m -60.46 -39.96 89.45 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.77 0.828 . . . . 0.0 112.468 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.6 mt -61.59 -52.51 64.11 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 119.351 0.978 . . . . 0.0 110.664 173.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 17.9 mt -51.85 -47.49 64.39 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.526 0.73 . . . . 0.0 111.202 176.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.5 t -57.77 -50.13 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.21 1.004 . . . . 0.0 111.942 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.8 m -64.77 -37.05 86.3 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.21 0.914 . . . . 0.0 112.267 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.7 mt -64.03 -43.78 94.5 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.703 1.138 . . . . 0.0 111.954 172.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.86 -32.61 65.99 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 175.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.35 -6.13 22.65 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 175.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 -34.58 0.82 Allowed 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 -174.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.0 mp -67.21 158.4 81.77 Favored Pre-proline 0 CA--C 1.554 1.115 0 CA-C-N 119.338 0.972 . . . . 0.0 112.727 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -54.8 -32.99 79.39 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 123.927 3.084 . . . . 0.0 115.474 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.95 -53.39 0.2 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.537 1.135 . . . . 0.0 112.183 175.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 65.61 -32.03 0.15 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 127.135 2.174 . . . . 0.0 114.442 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -75.23 -5.23 43.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.011 1.725 . . . . 0.0 115.434 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.81 156.8 6.18 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 123.766 0.826 . . . . 0.0 111.01 -176.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.31 -46.35 22.1 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 121.271 1.314 . . . . 0.0 113.47 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.7 -12.31 60.39 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.5 t -104.3 -46.46 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 119.638 1.108 . . . . 0.0 111.801 175.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.573 ' CD2' HH21 ' B' ' 30' ' ' ARG . 4.1 t-80 -72.35 -40.23 67.53 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 121.234 1.834 . . . . 0.0 113.218 -175.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.93 -54.14 50.23 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.511 1.05 . . . . 0.0 110.321 166.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.4 t -49.9 -57.62 7.09 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.08 1.352 . . . . 0.0 113.438 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.63 -39.17 80.88 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 118.712 -0.661 . . . . 0.0 111.361 -176.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.42 -53.99 46.78 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.621 1.1 . . . . 0.0 112.022 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -33.3 75.52 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 119.082 -0.485 . . . . 0.0 111.269 178.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -62.71 -53.72 50.15 Favored 'General case' 0 CA--C 1.526 0.05 0 CA-C-N 119.123 0.874 . . . . 0.0 111.61 173.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 33.7 mt -60.89 -36.56 79.55 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.416 1.007 . . . . 0.0 112.175 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.14 -32.03 72.58 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.188 0.904 . . . . 0.0 113.411 171.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.7 m -77.31 -37.06 53.44 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.389 -1.445 . . . . 0.0 112.888 171.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.95 -51.64 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 119.135 0.879 . . . . 0.0 109.414 171.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 86.8 p -64.83 -40.64 95.52 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 118.238 -0.887 . . . . 0.0 113.196 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.3 m -48.94 -50.85 33.46 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.607 1.094 . . . . 0.0 111.203 169.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 91.6 t -65.88 -40.83 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 O-C-N 121.205 -0.935 . . . . 0.0 111.225 177.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -24.19 67.28 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 4.1 t -102.04 -17.25 16.15 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.687 1.195 . . . . 0.0 113.109 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 CA--C 1.545 0.761 0 C-N-CA 124.507 1.123 . . . . 0.0 112.372 165.652 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.301 2.4 p . . . . . 0 N--CA 1.51 2.529 0 CA-C-O 116.876 -1.535 . . . . 0.0 113.285 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 64.1 t60 13.5 85.36 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 128.145 2.578 . . . . 0.0 116.054 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.51 157.05 17.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.229 0.612 . . . . 0.0 110.841 177.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.562 ' HG1' ' H ' ' B' ' 7' ' ' GLU . 7.8 p -64.3 154.6 82.75 Favored Pre-proline 0 N--CA 1.48 1.046 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.498 165.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -54.21 -39.33 86.85 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 122.468 2.112 . . . . 0.0 113.633 174.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -67.11 -46.0 75.47 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.534 0.734 . . . . 0.0 111.839 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.562 ' H ' ' HG1' ' B' ' 4' ' ' THR . 0.9 OUTLIER -69.13 -38.86 79.07 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.791 178.646 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -54.23 -51.63 63.86 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.79 1.177 . . . . 0.0 110.745 168.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.6 t -54.87 -45.74 74.65 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.678 0.672 . . . . 0.0 111.331 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.418 ' HB1' HG21 ' B' ' 126' ' ' VAL . . . -56.69 -52.44 64.91 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.222 1.009 . . . . 0.0 113.128 177.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.1 p -66.46 -56.04 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.786 1.175 . . . . 0.0 112.168 176.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -67.36 -33.97 76.34 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.577 1.081 . . . . 0.0 112.686 -169.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.08 -38.27 78.92 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.69 1.132 . . . . 0.0 112.366 175.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.66 -39.8 88.34 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.852 -1.155 . . . . 0.0 110.748 172.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . 0.413 ' HE1' ' HB3' ' B' ' 72' ' ' SER . 0.2 OUTLIER -63.97 -6.97 7.04 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 115.197 1.555 . . . . 0.0 115.197 167.032 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.71 -39.73 8.64 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.93 1.252 . . . . 0.0 113.443 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.43 -10.33 38.39 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 175.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 p -53.28 139.24 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.502 1.121 . . . . 0.0 112.954 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -88.27 93.63 9.57 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 169.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.577 HG13 HD22 ' B' ' 68' ' ' LEU . 49.8 t -52.95 -39.02 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.457 1.103 . . . . 0.0 113.306 -174.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -72.04 -31.18 65.91 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -97.47 -42.36 7.75 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.116 0.871 . . . . 0.0 112.24 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -31.51 53.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 119.359 0.982 . . . . 0.0 111.269 168.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.15 -49.22 54.76 Favored Glycine 0 C--N 1.341 0.808 0 CA-C-N 120.072 1.306 . . . . 0.0 111.439 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.77 -47.95 88.43 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 117.362 0.581 . . . . 0.0 112.666 174.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -67.8 -35.29 78.38 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 117.439 -1.267 . . . . 0.0 112.462 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.14 -56.39 17.19 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 122.009 2.186 . . . . 0.0 110.715 175.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 tp -68.73 -36.78 78.85 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 121.634 -0.666 . . . . 0.0 111.479 -176.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.65 -51.6 57.66 Favored Glycine 0 CA--C 1.527 0.833 0 O-C-N 121.42 -0.8 . . . . 0.0 112.543 170.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.602 ' HA ' HG22 ' B' ' 33' ' ' VAL . 31.1 ttt180 -56.0 -23.36 32.3 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.795 1.638 . . . . 0.0 113.565 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.435 ' HA ' HG22 ' B' ' 109' ' ' VAL . 47.7 tp -65.09 -57.74 7.85 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.721 1.146 . . . . 0.0 110.256 167.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.18 -31.13 71.32 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.51 -0.744 . . . . 0.0 112.068 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.602 HG22 ' HA ' ' B' ' 30' ' ' ARG . 2.2 m -66.29 -8.0 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 176.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.9 -2.53 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 120.783 1.629 . . . . 0.0 112.69 171.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 56.38 41.5 0.79 Allowed Pre-proline 0 CA--C 1.564 1.499 0 O-C-N 120.941 -1.099 . . . . 0.0 113.247 -166.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -76.45 162.45 33.38 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.471 2.781 . . . . 0.0 113.06 -170.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 5.5 p90 -60.27 -25.37 65.65 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 120.91 -1.119 . . . . 0.0 113.805 168.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 42.2 p -55.72 -28.81 57.76 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.86 0.864 . . . . 0.0 112.948 172.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -58.45 -21.29 50.63 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.58 1.552 . . . . 0.0 113.208 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -27.8 18.2 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-N 120.297 1.408 . . . . 0.0 113.361 173.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.09 13.09 36.3 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.5 -8.6 27.56 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 176.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -49.95 -27.14 4.91 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.899 1.28 . . . . 0.0 114.349 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 49.6 p -96.18 -24.47 16.25 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.268 1.427 . . . . 0.0 114.34 172.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.61 -40.09 92.23 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.411 1.485 . . . . 0.0 112.009 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.98 -175.49 34.99 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 123.989 0.804 . . . . 0.0 114.846 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 43.61 -110.62 0.17 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.642 1.977 . . . . 0.0 111.997 -166.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 tt 60.38 -17.32 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 128.039 2.536 . . . . 0.0 117.504 174.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 14.1 t -49.38 -28.52 5.13 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.299 1.84 . . . . 0.0 113.58 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 81.4 p -125.5 150.77 68.9 Favored Pre-proline 0 N--CA 1.472 0.642 0 C-N-CA 123.173 0.589 . . . . 0.0 110.394 149.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -66.12 -26.08 50.41 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.493 2.129 . . . . 0.0 113.67 173.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -57.68 -38.85 75.84 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.838 -1.164 . . . . 0.0 111.323 167.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.61 -38.35 77.21 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 118.288 -0.863 . . . . 0.0 112.528 170.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.6 -41.44 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 CA-C-N 121.289 1.859 . . . . 0.0 113.006 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 25.3 ptp -77.77 -18.48 56.39 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 177.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -96.17 -23.43 17.22 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.454 1.026 . . . . 0.0 114.764 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -52.49 117.13 9.96 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 126.534 1.934 . . . . 0.0 112.012 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -47.7 -40.39 31.04 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.985 3.123 . . . . 0.0 114.582 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -65.04 -41.84 94.84 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.61 0.764 . . . . 0.0 111.897 176.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 86.0 t -69.09 -34.62 64.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 119.54 1.064 . . . . 0.0 111.866 175.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -64.4 -45.7 86.5 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 120.299 1.409 . . . . 0.0 111.628 170.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.39 -49.89 75.07 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.236 1.014 . . . . 0.0 112.789 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -33.18 75.04 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.68 -1.262 . . . . 0.0 112.925 173.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.31 -53.03 43.5 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 124.192 0.901 . . . . 0.0 111.899 167.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.6 -40.34 75.13 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 118.025 0.912 . . . . 0.0 112.463 172.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -67.14 -54.89 17.11 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.293 1.037 . . . . 0.0 113.413 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 17.6 m -59.18 -36.76 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 120.317 1.417 . . . . 0.0 111.452 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.577 HD22 HG13 ' B' ' 20' ' ' VAL . 7.0 tt -66.03 -41.24 91.16 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.507 1.123 . . . . 0.0 111.944 172.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.22 -37.08 78.56 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.164 1.364 . . . . 0.0 113.323 176.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.59 -44.55 93.68 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.609 -0.936 . . . . 0.0 112.376 169.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -59.72 -43.16 94.27 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 120.889 -1.132 . . . . 0.0 112.496 173.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' SER . . . . . 0.413 ' HB3' ' HE1' ' B' ' 15' ' ' TRP . 94.6 p -68.98 -40.39 78.85 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.711 1.141 . . . . 0.0 112.847 177.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -57.12 -34.75 68.67 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.889 0.768 . . . . 0.0 111.584 167.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.78 -60.66 8.33 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.664 1.126 . . . . 0.0 112.204 169.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.85 -29.95 69.82 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.059 1.43 . . . . 0.0 114.005 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.94 -27.58 64.87 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 172.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -143.73 49.46 1.39 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.555 1.542 . . . . 0.0 112.716 -170.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.08 -20.81 56.79 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.836 -1.165 . . . . 0.0 113.724 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -66.19 -24.27 66.6 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.135 1.374 . . . . 0.0 114.235 173.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -88.07 -73.28 0.49 Allowed 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 118.924 0.784 . . . . 0.0 111.662 -173.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 50.9 22.17 1.12 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 175.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -147.35 -61.02 0.28 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 126.072 1.749 . . . . 0.0 110.355 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.51 -30.26 60.49 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.323 0.964 . . . . 0.0 114.337 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -28.73 66.14 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.294 1.438 . . . . 0.0 113.522 174.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -122.69 12.35 9.89 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.503 1.121 . . . . 0.0 113.391 -174.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.34 -30.08 66.44 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 120.021 1.282 . . . . 0.0 114.357 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 20.7 p -71.22 -39.76 71.53 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.243 1.017 . . . . 0.0 112.366 170.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 16.9 mt -74.25 -40.12 62.57 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.743 1.217 . . . . 0.0 111.588 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.402 ' HA ' ' CE1' ' B' ' 92' ' ' HIS . 98.4 p -59.37 -52.66 64.68 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 123.348 0.659 . . . . 0.0 109.408 173.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -56.66 -45.54 81.61 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.985 0.914 . . . . 0.0 113.305 174.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.5 -64.13 0.97 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.139 0.882 . . . . 0.0 111.469 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' HIS . . . . . 0.402 ' CE1' ' HA ' ' B' ' 89' ' ' SER . 6.3 p-80 -72.27 -19.72 61.64 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 118.107 -0.949 . . . . 0.0 112.645 -174.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 1.3 p -88.06 -27.61 21.87 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.517 1.508 . . . . 0.0 114.391 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -114.98 -30.67 6.32 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.741 1.155 . . . . 0.0 112.82 -172.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -27.51 35.49 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.419 0.687 . . . . 0.0 112.487 170.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 6.2 mt -129.3 -36.33 1.72 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.324 1.05 . . . . 0.0 113.818 -173.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 49.33 25.65 1.34 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.097 2.159 . . . . 0.0 115.843 -171.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 2.8 m -59.01 143.05 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.378 1.071 . . . . 0.0 113.308 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.64 141.66 97.93 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 125.878 1.671 . . . . 0.0 114.579 -169.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . 0.422 ' HA ' ' CE2' ' B' ' 103' ' ' PHE . 86.5 Cg_exo -51.45 -35.24 54.4 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 124.124 3.216 . . . . 0.0 117.832 -177.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -58.57 -27.03 64.22 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.778 -1.201 . . . . 0.0 112.924 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -61.18 -37.7 83.87 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.699 0.8 . . . . 0.0 111.712 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' B' ' 100' ' ' PRO . 1.0 OUTLIER -67.05 -47.19 72.11 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.719 0.808 . . . . 0.0 110.223 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 60.8 mtm-85 -56.94 -46.43 82.07 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.925 174.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 mt -54.39 -50.81 66.67 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.716 0.806 . . . . 0.0 113.061 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 tt -58.27 -41.53 84.51 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.401 0.68 . . . . 0.0 111.088 174.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -60.64 -48.94 83.74 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 121.076 -1.015 . . . . 0.0 114.673 174.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -59.12 -43.4 91.93 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.313 -1.11 . . . . 0.0 110.46 174.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' B' ' 31' ' ' LEU . 9.7 t -58.12 -47.96 85.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 124.202 1.001 . . . . 0.0 112.194 174.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 35.5 tp -56.07 -52.5 64.06 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 119.035 0.834 . . . . 0.0 110.959 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 5.7 m -64.56 -29.82 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 O-C-N 121.463 -0.773 . . . . 0.0 111.441 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.01 -35.57 64.4 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.361 -0.837 . . . . 0.0 112.814 176.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.88 -36.45 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 119.79 -1.819 . . . . 0.0 111.529 169.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.68 -37.0 85.72 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.532 0.605 . . . . 0.0 110.907 174.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.09 75.64 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 170.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -66.05 -59.49 3.75 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.08 0.855 . . . . 0.0 112.005 170.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -68.27 -28.28 67.06 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -171.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -128.74 22.69 5.84 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.12 0.968 . . . . 0.0 113.093 -170.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -43.89 -36.8 3.85 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.65 1.595 . . . . 0.0 116.589 -176.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -60.59 -24.29 65.35 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 125.598 1.559 . . . . 0.0 114.335 174.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -122.14 -8.86 8.72 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.188 2.195 . . . . 0.0 112.491 -174.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -80.51 70.06 7.13 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.439 1.496 . . . . 0.0 112.211 -172.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 32.4 p -63.59 160.3 44.86 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.402 1.081 . . . . 0.0 113.045 -175.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -47.4 -52.61 7.66 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.889 2.392 . . . . 0.0 115.142 167.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.64 -26.95 68.94 Favored 'Trans proline' 0 C--N 1.353 0.782 0 CA-C-N 121.522 1.579 . . . . 0.0 113.701 177.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . 0.418 HG21 ' HB1' ' B' ' 10' ' ' ALA . 0.5 OUTLIER -58.47 -49.95 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 120.526 1.512 . . . . 0.0 110.835 171.271 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -36.95 85.99 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.754 -1.216 . . . . 0.0 111.857 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.12 94.84 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 171.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.71 -53.43 56.17 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.844 0.858 . . . . 0.0 111.385 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -55.72 -44.4 77.45 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 122.005 -0.435 . . . . 0.0 111.576 172.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -58.48 -40.23 82.19 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 176.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -63.4 -42.96 98.79 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 120.789 1.631 . . . . 0.0 113.401 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 2.8 p -70.44 -36.06 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 CA-C-N 119.555 1.07 . . . . 0.0 112.183 173.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 9.5 t -57.6 -49.16 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.287 0.949 . . . . 0.0 112.027 170.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.67 -46.81 86.39 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.797 0.839 . . . . 0.0 110.647 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.44 -54.14 25.41 Favored Glycine 0 CA--C 1.531 1.089 0 CA-C-O 119.587 -0.563 . . . . 0.0 112.922 169.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.83 -40.73 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 118.609 1.204 . . . . 0.0 112.548 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.11 71.84 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.562 -0.711 . . . . 0.0 111.945 177.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -61.95 -36.22 80.78 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.862 0.755 . . . . 0.0 112.138 174.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.69 -43.24 84.94 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.15 0.98 . . . . 0.0 112.377 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -43.31 99.11 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.324 -0.86 . . . . 0.0 110.047 171.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.23 -4.57 5.37 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 174.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -54.48 -39.57 67.63 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.142 -1.599 . . . . 0.0 113.375 -177.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -66.87 -10.55 49.46 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 CA--C 1.546 0.808 0 C-N-CA 124.609 1.164 . . . . 0.0 113.828 -168.782 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 30.2 m . . . . . 0 N--CA 1.516 2.854 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 mp -142.82 -161.76 1.31 Allowed 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 125.3 1.44 . . . . 0.0 111.159 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 96.4 p -115.5 153.14 47.7 Favored Pre-proline 0 N--CA 1.482 1.131 0 CA-C-N 120.331 1.423 . . . . 0.0 112.751 -172.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.42 -35.83 22.28 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.884 1.723 . . . . 0.0 113.686 -162.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.65 -34.15 77.54 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 177.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.45 -44.26 79.1 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 118.951 0.796 . . . . 0.0 111.324 174.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -54.78 -48.0 73.25 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.635 0.652 . . . . 0.0 111.034 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 69.3 m -54.19 -47.91 71.55 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.738 0.815 . . . . 0.0 112.187 176.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -78.31 -28.44 47.4 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.89 -48.89 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.551 1.068 . . . . 0.0 110.294 167.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -58.18 -46.91 84.94 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 118.836 0.743 . . . . 0.0 111.284 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.89 -53.33 59.62 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.228 0.611 . . . . 0.0 112.163 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.67 -52.03 67.44 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.85 0.86 . . . . 0.0 112.034 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -65.85 -26.9 67.86 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.02 -40.84 97.55 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.556 1.074 . . . . 0.0 113.689 169.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 47.1 mmtt -67.85 -37.88 82.43 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 118.594 1.197 . . . . 0.0 111.595 173.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 67.2 t -67.37 -24.35 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.922 1.689 . . . . 0.0 113.679 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.37 122.07 1.18 Allowed Glycine 0 CA--C 1.542 1.766 0 C-N-CA 125.137 1.351 . . . . 0.0 114.034 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 84.25 -31.85 0.07 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 129.507 3.123 . . . . 0.0 114.676 -175.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -88.1 -6.36 57.95 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.524 1.13 . . . . 0.0 113.19 170.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . 0.439 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -46.46 -52.98 12.04 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.813 1.645 . . . . 0.0 113.629 -176.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.42 -36.56 89.1 Favored Glycine 0 N--CA 1.47 0.964 0 O-C-N 121.753 -0.592 . . . . 0.0 113.947 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -57.61 -43.79 84.99 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.376 1.47 . . . . 0.0 111.754 170.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -74.06 -36.56 64.35 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.71 -1.244 . . . . 0.0 113.564 176.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.37 -49.39 69.1 Favored Glycine 0 CA--C 1.529 0.948 0 CA-C-N 119.396 0.998 . . . . 0.0 111.729 168.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.99 -50.38 73.59 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.151 0.98 . . . . 0.0 112.118 175.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -66.14 -33.58 76.09 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.136 -0.978 . . . . 0.0 112.321 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.16 -38.05 78.55 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.094 -1.004 . . . . 0.0 112.593 175.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 55.7 mt -62.69 -47.95 81.43 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.757 0.823 . . . . 0.0 111.153 169.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -58.97 -45.91 89.38 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.24 1.016 . . . . 0.0 111.519 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -51.53 -55.46 18.89 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.934 1.294 . . . . 0.0 111.793 169.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -54.38 -41.8 69.62 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.468 1.107 . . . . 0.0 112.617 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -65.38 -24.57 67.26 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 176.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -115.12 -13.3 11.83 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -173.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 88.0 p -75.79 -40.17 55.64 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.216 -0.927 . . . . 0.0 111.739 161.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -131.96 81.46 62.34 Favored Pre-proline 0 CA--C 1.542 0.666 0 C-N-CA 125.956 1.702 . . . . 0.0 110.82 -176.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -52.13 -16.06 4.21 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 124.703 3.602 . . . . 0.0 116.904 177.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 7.4 p -53.35 -44.27 68.38 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.403 1.081 . . . . 0.0 112.296 167.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 63.1 p -59.72 -27.8 66.78 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -177.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -53.59 -35.09 60.47 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 119.41 1.005 . . . . 0.0 112.034 171.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -20.8 66.48 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 178.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -18.28 65.27 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.373 -0.83 . . . . 0.0 113.066 177.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.11 79.0 10.12 Favored Pre-proline 0 CA--C 1.552 1.03 0 CA-C-N 119.4 1.0 . . . . 0.0 112.236 174.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -72.28 24.15 0.27 Allowed 'Trans proline' 0 CA--C 1.552 1.395 1 C-N-CA 125.317 4.011 . . . . 0.0 115.701 -168.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.28 -11.19 4.64 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.872 1.669 . . . . 0.0 113.033 176.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -76.94 123.6 26.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.759 0.824 . . . . 0.0 112.133 -168.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -81.9 62.94 5.92 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.088 0.955 . . . . 0.0 111.561 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 pp -65.59 22.29 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.723 2.009 . . . . 0.0 115.779 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 22.6 m -57.93 160.25 4.87 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.326 1.85 . . . . 0.0 112.836 173.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -57.76 123.93 17.39 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.129 -0.982 . . . . 0.0 110.991 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.01 7.26 66.1 Favored Glycine 0 CA--C 1.539 1.591 0 CA-C-O 119.015 -0.88 . . . . 0.0 115.157 -175.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 45.6 t -53.79 108.08 0.32 Allowed 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.091 1.445 . . . . 0.0 114.181 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.83 -32.99 64.07 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.066 0.946 . . . . 0.0 112.578 170.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -66.06 -44.29 84.96 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.108 0.563 . . . . 0.0 111.209 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.05 -35.7 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-O 118.503 -0.761 . . . . 0.0 111.483 174.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -63.45 -47.12 83.18 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 120.203 1.365 . . . . 0.0 111.895 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.94 -51.57 56.19 Favored Glycine 0 N--CA 1.471 1.03 0 C-N-CA 124.146 0.879 . . . . 0.0 112.313 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -57.89 -41.79 83.29 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.783 -0.833 . . . . 0.0 111.675 173.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.68 -51.32 49.41 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 124.627 1.108 . . . . 0.0 113.763 172.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -54.3 -43.86 71.47 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 118.674 1.237 . . . . 0.0 112.386 172.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -65.95 -48.48 71.18 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 118.918 0.781 . . . . 0.0 112.35 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 79.1 t -54.67 -47.66 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.168 0.895 . . . . 0.0 111.02 172.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 63' ' ' ALA . . . . . 0.439 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -68.0 -40.51 83.0 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.09 -37.27 86.83 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.182 -0.949 . . . . 0.0 111.887 174.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.3 79.84 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.487 -0.758 . . . . 0.0 112.842 168.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 mt -63.47 -45.28 91.53 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.207 0.912 . . . . 0.0 111.624 168.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 36.6 m -55.29 -45.78 76.21 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 120.375 1.443 . . . . 0.0 112.057 172.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -61.51 -44.08 97.72 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.945 1.298 . . . . 0.0 112.189 175.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.02 -50.33 71.18 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.552 -0.718 . . . . 0.0 111.479 170.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 85.6 t -60.14 -42.26 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.905 0.882 . . . . 0.0 111.977 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.16 -23.69 67.41 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -134.08 24.95 3.91 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.005 1.322 . . . . 0.0 112.739 -171.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 12.6 p -60.11 -25.76 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -168.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -71.9 -21.67 61.6 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 120.901 -1.125 . . . . 0.0 113.855 173.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -128.27 24.25 5.93 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 127.468 2.307 . . . . 0.0 111.86 -173.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 24.2 ttp -51.87 -36.25 28.57 Favored Pre-proline 0 CA--C 1.549 0.93 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 -171.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -69.43 46.72 0.47 Allowed 'Trans proline' 0 CA--C 1.554 1.525 0 C-N-CA 124.331 3.354 . . . . 0.0 114.517 168.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -157.98 -39.1 0.07 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.636 2.774 . . . . 0.0 109.45 168.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.19 -36.47 77.7 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 176.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 65.9 mt -100.29 9.22 43.02 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -175.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 57.1 m -58.01 -31.78 67.3 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -177.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.2 -31.51 70.22 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.74 -1.225 . . . . 0.0 112.959 171.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mt -81.33 -35.04 31.43 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.336 1.054 . . . . 0.0 111.691 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 1.1 p -59.64 -43.85 93.71 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 118.807 -0.616 . . . . 0.0 110.331 167.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.66 -49.44 75.04 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.458 1.503 . . . . 0.0 112.402 173.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 tp -47.81 -67.19 0.3 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.777 1.231 . . . . 0.0 110.585 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -27.64 68.57 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.921 0.782 . . . . 0.0 113.014 -171.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.38 -41.67 69.38 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.712 0.805 . . . . 0.0 111.829 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -73.02 -45.59 56.87 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.462 0.705 . . . . 0.0 112.617 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.6 157.5 32.07 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.224 1.41 . . . . 0.0 112.243 -178.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 41.6 mt 51.68 68.47 0.8 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.795 1.238 . . . . 0.0 113.19 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 15.7 ttm-85 -62.88 13.49 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 118.061 2.615 . . . . 0.0 118.061 -170.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 t 25.15 86.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 129.534 3.134 . . . . 0.0 115.087 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -41.6 122.21 2.26 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 123.7 0.8 . . . . 0.0 111.094 164.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -40.64 -32.1 0.76 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 124.641 3.56 . . . . 0.0 115.983 174.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 4.4 p -51.0 -41.33 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 120.232 1.378 . . . . 0.0 111.233 174.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -74.36 -28.74 61.27 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 123.702 0.801 . . . . 0.0 111.331 -177.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -57.43 -52.97 63.24 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.069 163.147 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -56.82 -45.1 82.51 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.481 1.037 . . . . 0.0 110.343 -174.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 87.0 mt -57.38 -61.06 2.75 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.17 0.988 . . . . 0.0 111.415 173.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 67.8 tp -57.91 -42.96 85.84 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.32 0.964 . . . . 0.0 112.076 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 32.9 t -56.8 -52.22 65.89 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.585 1.154 . . . . 0.0 111.451 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -59.89 -46.38 89.49 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 122.761 0.425 . . . . 0.0 111.62 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 86.6 m -60.33 -40.29 90.13 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.924 0.889 . . . . 0.0 112.483 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 41.3 mt -61.4 -52.55 64.13 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 119.543 1.065 . . . . 0.0 110.8 173.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 17.9 mt -51.72 -47.77 63.87 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.616 0.766 . . . . 0.0 111.24 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 31.5 t -57.57 -50.16 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 C-N-CA 124.291 1.036 . . . . 0.0 112.029 175.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 20.2 m -64.81 -36.94 85.95 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.183 0.901 . . . . 0.0 112.338 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 11.9 mt -64.1 -43.75 94.4 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.584 1.084 . . . . 0.0 112.01 172.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.99 -32.43 66.1 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.36 -6.31 23.66 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 115.408 1.632 . . . . 0.0 115.408 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.64 -34.48 0.83 Allowed 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 -174.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 6.9 mp -67.34 158.43 82.02 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 119.263 0.938 . . . . 0.0 112.696 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.73 -32.95 78.49 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 124.042 3.161 . . . . 0.0 115.402 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -148.13 -53.4 0.19 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.552 1.141 . . . . 0.0 112.153 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 65.54 -31.99 0.15 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.235 2.214 . . . . 0.0 114.304 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -75.04 -5.34 43.57 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.964 1.706 . . . . 0.0 115.471 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.67 156.75 6.02 Favored Pre-proline 0 N--CA 1.481 1.081 0 C-N-CA 123.724 0.81 . . . . 0.0 111.025 -176.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.36 -46.19 22.73 Favored 'Trans proline' 0 CA--C 1.528 0.21 0 C-N-CA 121.307 1.338 . . . . 0.0 113.43 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.92 -12.16 60.29 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -178.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 55.1 t -104.42 -46.53 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 119.662 1.119 . . . . 0.0 111.844 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 122' ' ' HIS . . . . . 0.572 ' CD2' HH21 ' D' ' 30' ' ' ARG . 4.0 t-80 -72.02 -40.44 68.44 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 121.276 1.853 . . . . 0.0 113.303 -175.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.94 -54.22 49.42 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 119.504 1.047 . . . . 0.0 110.166 166.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 13.4 t -49.81 -57.62 7.0 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.027 1.331 . . . . 0.0 113.418 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.57 -39.23 81.09 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.747 -0.644 . . . . 0.0 111.391 -176.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.44 -53.88 48.29 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.638 1.108 . . . . 0.0 112.109 176.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -33.33 75.57 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 119.282 -0.389 . . . . 0.0 111.35 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -62.76 -53.7 50.38 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 119.06 0.846 . . . . 0.0 111.58 173.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 34.3 mt -60.72 -36.58 79.2 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.452 1.023 . . . . 0.0 112.188 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.36 -31.84 72.55 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 171.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 59.5 m -77.36 -37.03 53.07 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.509 -1.37 . . . . 0.0 112.932 171.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 74.4 t -55.95 -51.59 59.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 119.172 0.896 . . . . 0.0 109.602 171.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 87.0 p -64.78 -40.51 95.37 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 176.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 1.3 m -49.07 -50.74 35.25 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.522 1.056 . . . . 0.0 111.233 169.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.01 -40.83 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.028 -1.045 . . . . 0.0 111.18 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.3 -24.35 67.26 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 179.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 4.2 t -101.99 -17.29 16.17 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.724 1.21 . . . . 0.0 113.027 178.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 CA--C 1.544 0.745 0 C-N-CA 124.554 1.142 . . . . 0.0 112.399 165.548 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.301 2.4 p . . . . . 0 N--CA 1.508 2.461 0 CA-C-O 116.83 -1.557 . . . . 0.0 113.318 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 63.7 t60 13.19 85.42 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 128.21 2.604 . . . . 0.0 116.138 -176.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.45 157.13 17.62 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.219 0.607 . . . . 0.0 110.881 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.562 ' HG1' ' H ' ' D' ' 7' ' ' GLU . 8.2 p -64.33 154.92 82.06 Favored Pre-proline 0 N--CA 1.48 1.071 0 CA-C-O 118.812 -0.613 . . . . 0.0 109.473 165.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -54.54 -39.12 89.72 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.327 2.018 . . . . 0.0 113.721 174.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -67.16 -46.0 75.31 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.544 0.738 . . . . 0.0 111.87 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 7' ' ' GLU . . . . . 0.562 ' H ' ' HG1' ' D' ' 4' ' ' THR . 0.9 OUTLIER -69.06 -38.76 79.26 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.404 -0.808 . . . . 0.0 111.848 178.565 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -54.44 -51.47 64.86 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.755 1.161 . . . . 0.0 110.651 168.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 22.6 t -55.01 -45.8 75.15 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.722 0.692 . . . . 0.0 111.235 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 10' ' ' ALA . . . . . 0.42 ' HB1' HG21 ' D' ' 126' ' ' VAL . . . -56.61 -52.48 64.7 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.283 1.033 . . . . 0.0 113.117 177.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.47 -56.15 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 CA-C-N 119.658 1.117 . . . . 0.0 112.155 176.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 4.3 m -67.33 -33.94 76.31 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.58 1.082 . . . . 0.0 112.811 -168.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.4 78.87 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.451 1.023 . . . . 0.0 112.412 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.53 -39.59 88.68 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.153 -0.967 . . . . 0.0 110.829 172.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 15' ' ' TRP . . . . . 0.41 ' HE1' ' HB3' ' D' ' 72' ' ' SER . 0.3 OUTLIER -64.36 -6.53 7.27 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 167.54 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.77 -40.05 8.41 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.173 1.368 . . . . 0.0 113.447 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.17 -10.27 39.39 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 175.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 p -53.22 139.08 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 124.644 1.178 . . . . 0.0 113.051 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -88.34 93.35 9.49 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.41 -0.806 . . . . 0.0 108.859 169.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . 0.592 HG12 HD23 ' D' ' 68' ' ' LEU . 50.2 t -52.73 -39.13 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 124.496 1.119 . . . . 0.0 113.249 -174.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -72.22 -29.69 64.2 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -98.92 -42.35 7.18 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.015 0.825 . . . . 0.0 112.18 -178.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.5 -31.47 53.72 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.55 0 CA-C-N 119.573 1.079 . . . . 0.0 111.203 168.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.07 -49.1 56.14 Favored Glycine 0 N--CA 1.468 0.807 0 CA-C-N 120.077 1.308 . . . . 0.0 111.551 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.93 -47.88 88.81 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 117.248 0.524 . . . . 0.0 112.781 174.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -67.6 -35.49 79.06 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 117.411 -1.28 . . . . 0.0 112.531 175.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.17 -56.25 18.29 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 121.939 2.154 . . . . 0.0 110.744 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -68.72 -36.94 79.08 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.762 -0.587 . . . . 0.0 111.464 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.74 -51.41 58.84 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-N 118.945 0.793 . . . . 0.0 112.404 170.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 30' ' ' ARG . . . . . 0.603 ' HA ' HG23 ' D' ' 33' ' ' VAL . 31.3 ttt180 -56.16 -23.2 33.36 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.774 1.629 . . . . 0.0 113.743 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . 0.415 ' HA ' HG23 ' D' ' 109' ' ' VAL . 48.0 tp -65.09 -57.81 7.67 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.678 1.126 . . . . 0.0 110.22 167.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.09 -31.35 71.77 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.503 -0.748 . . . . 0.0 112.072 -175.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 33' ' ' VAL . . . . . 0.603 HG23 ' HA ' ' D' ' 30' ' ' ARG . 2.2 m -66.2 -7.82 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 176.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 t -79.01 -2.54 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 CA-C-N 120.828 1.649 . . . . 0.0 112.637 171.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 56.19 41.64 0.83 Allowed Pre-proline 0 CA--C 1.564 1.496 0 O-C-N 120.923 -1.111 . . . . 0.0 113.264 -165.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -76.45 162.51 33.32 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 123.412 2.741 . . . . 0.0 113.199 -170.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 5.8 p90 -60.24 -25.35 65.59 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 168.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 41.5 p -55.85 -28.64 57.41 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.85 0.86 . . . . 0.0 113.058 172.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -58.33 -21.45 49.54 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.543 1.537 . . . . 0.0 113.284 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -27.73 17.97 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 120.196 1.362 . . . . 0.0 113.333 173.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.12 13.01 36.53 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.758 1.223 . . . . 0.0 114.201 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -8.73 28.03 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 176.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -49.66 -27.31 4.54 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.937 1.295 . . . . 0.0 114.387 179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 51.0 p -96.15 -24.49 16.25 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.236 1.414 . . . . 0.0 114.322 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.54 -40.14 92.56 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.227 1.411 . . . . 0.0 112.013 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.06 -175.53 35.22 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.03 0.824 . . . . 0.0 114.903 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 43.58 -110.57 0.17 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.58 1.952 . . . . 0.0 112.025 -166.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 tt 60.36 -17.4 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 128.082 2.553 . . . . 0.0 117.564 174.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 13.9 t -49.33 -28.51 4.97 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.289 1.836 . . . . 0.0 113.646 177.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 81.1 p -125.45 150.73 68.63 Favored Pre-proline 0 N--CA 1.471 0.578 0 C-N-CA 123.216 0.606 . . . . 0.0 110.482 149.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -66.08 -26.05 50.69 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.601 2.201 . . . . 0.0 113.655 173.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.68 -38.84 75.86 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 120.732 -1.23 . . . . 0.0 111.372 167.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.59 -38.35 77.31 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 118.335 -0.84 . . . . 0.0 112.63 170.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -41.47 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 CA-C-N 121.178 1.808 . . . . 0.0 113.034 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 25.3 ptp -77.75 -18.43 56.5 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -96.23 -23.35 17.23 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 124.399 1.0 . . . . 0.0 114.724 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -52.54 117.17 10.11 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 126.572 1.949 . . . . 0.0 112.0 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -47.63 -40.54 30.62 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.995 3.13 . . . . 0.0 114.603 175.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -65.02 -41.89 94.91 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.443 0.697 . . . . 0.0 111.842 176.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 85.7 t -68.97 -34.57 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 119.616 1.098 . . . . 0.0 111.904 175.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -64.38 -45.66 86.73 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 120.237 1.38 . . . . 0.0 111.659 170.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.42 -49.97 74.7 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.176 0.99 . . . . 0.0 112.794 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -33.11 74.85 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.627 -1.295 . . . . 0.0 113.12 173.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.32 -53.11 42.98 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 124.264 0.935 . . . . 0.0 111.853 167.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.47 -40.45 74.91 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 118.028 0.914 . . . . 0.0 112.471 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -67.19 -54.86 17.21 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.242 1.017 . . . . 0.0 113.437 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 17.3 m -58.91 -36.93 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 120.371 1.442 . . . . 0.0 111.605 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . 0.592 HD23 HG12 ' D' ' 20' ' ' VAL . 7.0 tt -65.96 -41.28 91.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.345 1.058 . . . . 0.0 111.883 173.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.09 -37.2 78.36 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.149 1.357 . . . . 0.0 113.355 176.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.67 93.56 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.675 -0.897 . . . . 0.0 112.207 170.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -59.62 -43.28 93.85 Favored 'General case' 0 CA--C 1.55 0.954 0 O-C-N 120.791 -1.193 . . . . 0.0 112.533 173.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 72' ' ' SER . . . . . 0.41 ' HB3' ' HE1' ' D' ' 15' ' ' TRP . 93.5 p -68.86 -40.54 79.28 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.848 1.204 . . . . 0.0 112.843 177.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -56.95 -34.96 68.55 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.891 0.768 . . . . 0.0 111.578 167.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.61 -60.61 8.37 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 124.692 1.139 . . . . 0.0 112.259 169.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.0 -29.92 69.98 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.115 1.457 . . . . 0.0 113.931 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.0 -27.51 64.76 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 172.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -143.66 49.27 1.4 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.608 1.563 . . . . 0.0 112.731 -170.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 90.6 mt -59.06 -20.78 56.48 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 120.868 -1.145 . . . . 0.0 113.635 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -66.14 -24.35 66.65 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.121 1.368 . . . . 0.0 114.26 173.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -87.92 -73.37 0.49 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.863 0.756 . . . . 0.0 111.779 -173.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 50.91 22.16 1.12 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 175.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -147.3 -61.08 0.28 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 126.254 1.822 . . . . 0.0 110.483 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.57 -30.32 60.28 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.431 1.015 . . . . 0.0 114.273 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.73 -28.66 66.05 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.331 1.452 . . . . 0.0 113.524 173.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -122.72 12.15 9.85 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.458 1.103 . . . . 0.0 113.444 -174.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.21 -30.24 66.32 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 21.0 p -71.17 -39.66 71.73 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.161 0.984 . . . . 0.0 112.454 170.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 16.9 mt -74.27 -40.0 62.61 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.714 1.206 . . . . 0.0 111.637 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 98.4 p -59.42 -52.77 64.18 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 123.347 0.659 . . . . 0.0 109.381 173.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -56.63 -45.52 81.49 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.913 0.885 . . . . 0.0 113.359 174.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 34.6 tp -56.44 -64.13 0.97 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.261 -0.9 . . . . 0.0 111.53 177.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -72.31 -19.69 61.62 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 118.091 -0.957 . . . . 0.0 112.622 -174.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 1.3 p -88.09 -27.61 21.85 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 120.593 1.542 . . . . 0.0 114.429 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -114.96 -30.62 6.34 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.689 1.131 . . . . 0.0 112.786 -172.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -27.33 35.24 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.339 0.656 . . . . 0.0 112.58 170.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 6.2 mt -129.45 -36.19 1.69 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.519 1.128 . . . . 0.0 113.898 -173.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 49.17 25.67 1.25 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.124 2.17 . . . . 0.0 115.852 -171.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 2.8 m -59.01 143.18 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.36 1.064 . . . . 0.0 113.266 -177.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.77 141.66 97.82 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 125.777 1.631 . . . . 0.0 114.564 -169.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 100' ' ' PRO . . . . . 0.418 ' HA ' ' CE2' ' D' ' 103' ' ' PHE . 85.4 Cg_exo -51.38 -35.39 54.16 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 124.243 3.296 . . . . 0.0 117.86 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -58.43 -27.08 64.01 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 120.572 -1.33 . . . . 0.0 112.998 176.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -61.09 -37.75 83.82 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.716 0.806 . . . . 0.0 111.766 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 103' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' D' ' 100' ' ' PRO . 1.1 m-30 -67.08 -47.24 71.85 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.682 0.793 . . . . 0.0 110.192 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 60.6 mtm-85 -56.85 -46.52 81.69 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 118.618 -0.706 . . . . 0.0 110.868 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 mt -54.41 -50.82 66.7 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.729 0.811 . . . . 0.0 112.953 176.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 tt -58.14 -41.56 83.96 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.4 0.68 . . . . 0.0 111.151 174.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -60.72 -48.87 84.08 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 121.058 -1.026 . . . . 0.0 114.773 174.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -58.99 -43.66 91.48 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.307 -1.113 . . . . 0.0 110.441 174.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 109' ' ' VAL . . . . . 0.415 HG23 ' HA ' ' D' ' 31' ' ' LEU . 10.0 t -57.89 -47.92 85.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 124.154 0.982 . . . . 0.0 112.341 174.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 35.7 tp -56.1 -52.5 64.09 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 118.899 0.772 . . . . 0.0 110.981 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 5.8 m -64.57 -29.79 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 O-C-N 121.484 -0.76 . . . . 0.0 111.501 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.97 -35.51 64.49 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.232 -0.918 . . . . 0.0 112.933 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.78 -36.86 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 119.733 -1.855 . . . . 0.0 111.248 169.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.56 -37.08 85.96 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.581 0.628 . . . . 0.0 110.818 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.61 -35.1 75.31 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 170.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -66.09 -59.65 3.58 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.025 0.829 . . . . 0.0 111.787 170.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -68.31 -28.27 67.03 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -171.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -128.9 22.74 5.76 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.231 1.012 . . . . 0.0 113.053 -170.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -43.68 -37.0 3.68 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 125.661 1.601 . . . . 0.0 116.556 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -60.82 -24.18 65.66 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.602 1.561 . . . . 0.0 114.33 175.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -122.32 -8.71 8.65 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.418 2.287 . . . . 0.0 112.593 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -80.53 69.74 7.08 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.491 1.517 . . . . 0.0 112.282 -173.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 32.7 p -63.46 160.34 43.38 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 124.343 1.057 . . . . 0.0 112.973 -175.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -47.49 -52.75 7.47 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 123.018 2.478 . . . . 0.0 115.049 167.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.45 -26.84 70.48 Favored 'Trans proline' 0 C--N 1.355 0.887 0 CA-C-N 121.573 1.598 . . . . 0.0 113.712 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 126' ' ' VAL . . . . . 0.42 HG21 ' HB1' ' D' ' 10' ' ' ALA . 0.5 OUTLIER -58.48 -50.24 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 120.496 1.498 . . . . 0.0 110.919 171.12 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.87 -36.21 83.62 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.208 -0.932 . . . . 0.0 112.082 -178.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.76 92.54 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 171.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.68 -53.54 54.79 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.068 0.947 . . . . 0.0 111.402 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -55.88 -44.4 78.09 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 122.07 -0.394 . . . . 0.0 111.627 173.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -58.22 -40.38 81.49 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.797 -1.189 . . . . 0.0 113.845 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -63.45 -43.08 98.42 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 120.803 1.638 . . . . 0.0 113.307 176.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 2.9 p -70.42 -35.84 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 CA-C-N 119.607 1.094 . . . . 0.0 112.277 174.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 8.8 t -57.89 -49.07 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.284 0.947 . . . . 0.0 111.882 170.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.69 -46.59 86.93 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.697 0.799 . . . . 0.0 110.732 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.7 -54.06 26.58 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.555 -0.581 . . . . 0.0 112.89 169.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -40.69 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 118.586 1.193 . . . . 0.0 112.469 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.1 -48.01 72.32 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.482 -0.761 . . . . 0.0 112.037 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -62.05 -36.17 80.83 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.853 0.752 . . . . 0.0 112.047 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.18 85.0 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.158 0.983 . . . . 0.0 112.417 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -43.5 98.74 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.406 -0.808 . . . . 0.0 110.152 171.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.13 -4.48 5.0 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 174.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -54.76 -39.39 68.31 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.133 -1.604 . . . . 0.0 113.45 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -67.1 -10.28 48.43 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -98.8 -7.06 28.09 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.685 1.194 . . . . 0.0 113.907 -168.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 . . . . . 0 C--O 1.254 1.326 0 C-N-CA 124.65 1.18 . . . . 0.0 113.822 -163.182 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.509 2.523 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.7 mt -147.28 179.64 7.5 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 119.848 -1.783 . . . . 0.0 112.384 -173.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -105.91 167.86 9.06 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 127.192 2.197 . . . . 0.0 109.745 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -76.66 -41.37 0.43 Allowed 'Trans proline' 0 CA--C 1.54 0.792 0 CA-C-N 121.401 1.536 . . . . 0.0 113.033 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.73 -35.65 77.39 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -35.78 77.5 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.551 -0.718 . . . . 0.0 112.379 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -56.83 -49.61 74.89 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.828 1.251 . . . . 0.0 109.813 173.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.5 m -58.04 -49.82 75.56 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.945 0.898 . . . . 0.0 111.939 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -65.16 -39.66 93.27 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.818 0.735 . . . . 0.0 112.325 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.1 t -62.02 -47.65 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 124.307 1.043 . . . . 0.0 111.64 173.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -59.93 -45.41 92.7 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.353 0.979 . . . . 0.0 111.295 175.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.48 -52.19 66.67 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.212 0.605 . . . . 0.0 111.281 176.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.77 -54.44 46.31 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.787 0.835 . . . . 0.0 112.15 176.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -62.83 -27.89 69.64 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.534 -0.728 . . . . 0.0 112.798 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.29 -44.0 98.29 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.762 1.172 . . . . 0.0 113.488 171.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -71.85 -35.62 69.9 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 118.615 1.207 . . . . 0.0 111.408 174.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.5 t -59.04 -44.4 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.057 0.943 . . . . 0.0 111.273 174.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.64 -135.94 5.03 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.635 1.588 . . . . 0.0 115.423 169.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.08 -22.58 61.0 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 178.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -71.99 -12.08 61.07 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.621 1.169 . . . . 0.0 113.392 178.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.5 -45.82 26.73 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.748 1.219 . . . . 0.0 114.162 -175.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.59 -34.54 90.23 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 119.716 -0.491 . . . . 0.0 113.587 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -66.98 -46.01 75.89 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.911 0.884 . . . . 0.0 110.153 174.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -65.25 -35.81 82.18 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.748 -0.595 . . . . 0.0 111.517 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.23 -47.89 75.7 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 124.029 0.823 . . . . 0.0 112.627 170.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.8 -46.68 81.43 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.275 1.037 . . . . 0.0 111.77 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -64.68 -38.32 90.6 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 121.448 -0.783 . . . . 0.0 112.321 174.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.42 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -65.65 -40.05 92.04 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.434 -0.791 . . . . 0.0 112.262 177.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.7 -42.74 97.92 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.967 1.307 . . . . 0.0 111.626 171.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.82 -45.79 89.15 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.645 0.778 . . . . 0.0 111.981 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -36.12 81.5 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.058 -1.026 . . . . 0.0 112.635 173.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -61.72 -42.47 99.0 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.166 0.893 . . . . 0.0 111.226 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -62.54 1.69 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.837 0.855 . . . . 0.0 111.283 167.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' B' ' 125' ' ' PRO . 0.6 OUTLIER -75.33 -34.74 61.23 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 119.739 -0.784 . . . . 0.0 113.034 -157.56 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -70.5 -20.14 62.87 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.0 68.72 11.63 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.446 1.098 . . . . 0.0 110.532 -166.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -54.29 -21.62 23.58 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 123.834 3.023 . . . . 0.0 116.095 -174.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.4 p -52.21 -26.61 12.09 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.648 1.579 . . . . 0.0 114.502 166.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.9 p -64.01 -37.47 87.54 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.87 -1.144 . . . . 0.0 113.235 170.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HA ' ' HE3' ' A' ' 40' ' ' LYS . 0.4 OUTLIER -68.43 -32.41 72.42 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -165.103 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.0 t -58.78 -25.57 63.2 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 175.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -67.52 -23.7 65.48 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.682 -1.261 . . . . 0.0 113.446 172.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -150.28 77.75 8.09 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 124.488 1.115 . . . . 0.0 112.507 178.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.96 -148.25 0.02 OUTLIER 'Trans proline' 0 CA--C 1.549 1.262 0 C-N-CA 123.872 3.048 . . . . 0.0 110.066 166.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.29 0.7 OUTLIER 57.52 12.41 1.51 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 126.44 1.896 . . . . 0.0 116.064 -175.651 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -105.39 133.82 49.52 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.344 1.857 . . . . 0.0 110.678 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -99.79 80.35 2.33 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.51 1.524 . . . . 0.0 111.567 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.7 mt -74.67 36.22 0.1 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.409 1.483 . . . . 0.0 114.498 -174.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -74.21 40.74 0.13 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.679 1.992 . . . . 0.0 113.299 176.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 55.52 151.49 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 130.827 3.651 . . . . 0.0 116.615 -164.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 46.39 37.91 8.73 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 126.177 1.846 . . . . 0.0 116.428 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 p -68.97 151.7 46.19 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -163.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.03 -18.74 59.43 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.598 1.159 . . . . 0.0 113.746 173.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -90.59 -45.19 9.06 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.483 1.113 . . . . 0.0 111.394 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.3 t -68.55 -36.49 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 O-C-N 121.246 -0.909 . . . . 0.0 111.742 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.31 -45.79 90.34 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.629 1.104 . . . . 0.0 112.213 173.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.56 -51.1 38.62 Favored Glycine 0 N--CA 1.47 0.929 0 C-N-CA 123.971 0.796 . . . . 0.0 111.902 -178.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -54.3 -42.65 70.33 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.505 0.722 . . . . 0.0 111.366 171.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.06 -51.94 46.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 121.104 -0.997 . . . . 0.0 114.122 170.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -59.01 -37.8 77.74 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 118.813 1.306 . . . . 0.0 112.454 176.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.5 -49.46 59.56 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 118.449 -0.786 . . . . 0.0 112.687 175.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 83.7 t -55.1 -44.74 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-N 119.983 1.265 . . . . 0.0 110.638 173.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.95 -51.59 69.38 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 174.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -59.25 -38.69 80.65 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.923 0.783 . . . . 0.0 112.287 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.79 88.66 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 171.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.75 -42.96 97.76 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 119.08 -0.486 . . . . 0.0 111.356 171.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.7 m -58.91 -45.2 90.87 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.61 1.096 . . . . 0.0 111.921 171.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -59.78 -42.96 94.5 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.486 1.114 . . . . 0.0 111.896 174.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.29 -50.57 73.14 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.64 -0.663 . . . . 0.0 111.598 170.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.0 t -55.54 -39.79 55.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 119.513 1.051 . . . . 0.0 112.185 175.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.36 -23.46 65.6 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -144.48 41.25 1.34 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.087 1.355 . . . . 0.0 111.729 -173.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 p -64.43 -12.39 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 -161.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.56 -7.0 20.03 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 169.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -114.29 -2.72 13.25 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.191 1.797 . . . . 0.0 112.553 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.438 ' HA ' ' HB2' ' A' ' 79' ' ' ALA . 23.4 ptt? -56.19 -20.47 0.54 Allowed Pre-proline 0 CA--C 1.544 0.748 0 N-CA-C 118.071 2.619 . . . . 0.0 118.071 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.88 -37.58 29.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 CA-C-N 123.968 2.453 . . . . 0.0 114.089 165.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -88.84 -41.18 12.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.729 0.812 . . . . 0.0 112.533 175.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' A' ' 76' ' ' MET . . . -67.78 -11.46 58.51 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -177.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.2 mt -110.89 7.44 21.8 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.317 1.447 . . . . 0.0 113.219 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.5 m -53.36 -36.85 61.82 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.828 1.195 . . . . 0.0 114.114 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.53 -28.03 65.07 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 174.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.9 mt -86.54 -35.77 19.33 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.329 1.051 . . . . 0.0 111.092 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.9 m -63.28 -34.36 77.51 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 117.99 -1.005 . . . . 0.0 112.032 165.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.23 -51.08 69.2 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.368 1.44 . . . . 0.0 112.198 167.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 tp -49.1 -45.06 42.75 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.963 0.802 . . . . 0.0 111.881 173.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -70.26 -70.17 0.31 Allowed 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.535 -0.728 . . . . 0.0 110.832 175.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.05 -14.81 26.2 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -171.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -130.61 10.23 5.14 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.455 1.502 . . . . 0.0 113.299 -171.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -138.74 -50.57 0.54 Allowed 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 174.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.03 -12.41 2.19 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 44.46 33.91 0.98 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 128.206 2.602 . . . . 0.0 115.869 177.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.9 t -56.94 135.43 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -165.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -45.39 121.24 5.02 Favored Pre-proline 0 CA--C 1.55 0.96 0 C-N-CA 126.234 1.814 . . . . 0.0 112.519 174.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -46.54 -18.48 0.5 Allowed 'Trans proline' 0 C--N 1.352 0.749 1 C-N-CA 125.409 4.073 . . . . 0.0 117.046 176.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.7 p -51.44 -39.53 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 120.442 1.474 . . . . 0.0 111.854 168.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -57.8 -37.41 73.71 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.741 1.616 . . . . 0.0 112.589 174.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -63.22 -52.58 61.65 Favored 'General case' 0 C--N 1.345 0.4 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.456 172.277 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -54.2 -44.04 71.27 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 119.336 0.971 . . . . 0.0 110.75 -172.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.0 mt -55.19 -64.37 0.86 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.442 1.097 . . . . 0.0 110.576 174.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -35.47 73.39 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -177.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.9 t -60.62 -51.77 67.99 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.278 1.031 . . . . 0.0 111.865 174.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -59.69 -39.55 84.94 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 121.876 -0.515 . . . . 0.0 111.041 174.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.42 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 56.0 m -59.24 -46.96 87.1 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.731 -0.652 . . . . 0.0 111.84 174.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.5 mt -60.83 -49.69 76.46 Favored 'General case' 0 N--CA 1.461 0.117 0 C-N-CA 123.659 0.784 . . . . 0.0 111.795 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.7 mt -51.15 -39.52 56.53 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.886 0.475 . . . . 0.0 111.78 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 37.1 t -68.38 -51.84 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 118.285 -0.864 . . . . 0.0 113.034 170.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.5 p -64.82 -36.43 84.32 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 120.488 1.495 . . . . 0.0 112.916 -172.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.98 -48.17 80.79 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.225 1.375 . . . . 0.0 109.979 170.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.4 ' CB ' ' CE1' ' B' ' 116' ' ' HIS . . . -71.04 -20.35 62.39 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -172.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.52 -13.3 20.07 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 170.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -132.1 -13.3 3.16 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -173.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.0 mp -98.37 154.96 37.37 Favored Pre-proline 0 CA--C 1.554 1.106 0 C-N-CA 124.915 1.286 . . . . 0.0 110.467 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -56.91 -33.71 95.62 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 123.503 2.802 . . . . 0.0 115.724 -171.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.3 -45.79 0.17 Allowed 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 117.826 -1.083 . . . . 0.0 113.919 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 58.48 -9.28 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 116.566 2.062 . . . . 0.0 116.566 -175.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -119.24 6.63 11.21 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.0 p -47.33 150.05 1.69 Allowed Pre-proline 0 N--CA 1.473 0.687 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 175.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -52.21 -31.78 47.46 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 CA-C-N 120.263 1.13 . . . . 0.0 114.817 -172.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.33 -47.47 27.6 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 168.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.89 -43.17 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 120.591 -1.318 . . . . 0.0 113.413 -174.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.405 ' HD1' HG22 ' B' ' 34' ' ' VAL . 0.6 OUTLIER -66.63 -39.72 88.43 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 122.219 2.282 . . . . 0.0 111.638 176.751 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.01 -58.39 8.09 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 122.822 0.449 . . . . 0.0 110.263 174.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 61.5 p -62.03 -51.95 65.94 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -177.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.71 -39.5 91.28 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.592 1.087 . . . . 0.0 112.049 -177.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -67.14 -50.51 61.02 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 120.033 1.288 . . . . 0.0 111.928 175.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -26.13 66.75 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.689 0.677 . . . . 0.0 112.748 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -68.53 -51.3 44.49 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.626 1.17 . . . . 0.0 112.071 168.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -58.27 -33.82 69.83 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.679 -1.263 . . . . 0.0 112.022 173.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.41 -35.09 68.29 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 172.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.3 p -70.06 -43.15 71.79 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.025 -1.672 . . . . 0.0 110.885 171.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 53.2 t -53.44 -51.98 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.44 1.496 . . . . 0.0 111.137 170.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 86.2 p -64.55 -40.01 94.8 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 119.364 0.984 . . . . 0.0 113.012 178.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.0 m -52.01 -55.77 18.45 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 118.896 0.771 . . . . 0.0 110.228 170.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 31.0 m -69.66 -27.54 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -176.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.45 -12.61 59.98 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 119.157 0.889 . . . . 0.0 112.907 171.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 98.8 m -96.44 -28.47 14.42 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.378 1.471 . . . . 0.0 111.807 171.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 59.1 m . . . . . 0 N--CA 1.471 0.606 0 C-N-CA 124.882 1.273 . . . . 0.0 112.48 170.104 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.33 2.2 p . . . . . 0 N--CA 1.514 2.763 0 CA-C-O 117.04 -1.457 . . . . 0.0 113.282 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 75.9 t60 14.22 84.05 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 128.213 2.605 . . . . 0.0 116.268 -172.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.11 161.22 8.93 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.597 0.759 . . . . 0.0 111.25 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 2.4 p -65.04 155.51 83.69 Favored Pre-proline 0 N--CA 1.48 1.039 0 O-C-N 121.688 -0.632 . . . . 0.0 109.558 163.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -55.89 -41.08 80.83 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 122.467 2.111 . . . . 0.0 113.752 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -68.33 -42.38 79.39 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.161 0.584 . . . . 0.0 111.572 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.49 -43.46 97.18 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.328 0.651 . . . . 0.0 111.212 175.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -54.77 -53.15 58.84 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.577 0.751 . . . . 0.0 111.25 172.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m -55.62 -41.83 74.04 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.268 0.94 . . . . 0.0 111.943 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.48 -41.53 98.57 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.5 p -69.69 -56.56 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 120.221 1.373 . . . . 0.0 111.424 171.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.1 m -67.72 -36.14 80.06 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.243 0.929 . . . . 0.0 113.244 -168.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.67 88.38 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 120.191 1.359 . . . . 0.0 112.294 175.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 tt -72.78 -28.17 62.44 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.66 -0.65 . . . . 0.0 111.417 173.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -63.87 -41.1 97.84 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.402 -0.811 . . . . 0.0 111.26 166.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.67 -27.86 50.33 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 125.446 1.498 . . . . 0.0 115.51 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -100.24 -5.73 27.12 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.696 1.198 . . . . 0.0 113.973 174.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.459 HG22 HG13 ' B' ' 23' ' ' VAL . 0.4 OUTLIER -65.22 138.74 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.495 1.118 . . . . 0.0 111.862 -174.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -88.93 67.04 8.1 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.245 1.018 . . . . 0.0 111.337 -175.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 48.8 t -39.7 -45.08 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 126.171 1.789 . . . . 0.0 115.585 -164.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.15 -57.24 11.21 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.047 0.939 . . . . 0.0 112.547 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -70.07 -52.33 24.76 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.189 0.996 . . . . 0.0 111.068 -175.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.459 HG13 HG22 ' B' ' 18' ' ' VAL . 0.8 OUTLIER -66.08 -29.21 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 125.841 1.656 . . . . 0.0 112.491 -179.474 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.05 -40.26 10.62 Favored Glycine 0 C--N 1.34 0.799 0 C-N-CA 124.295 0.95 . . . . 0.0 112.337 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.75 -41.44 99.06 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-N 118.198 0.999 . . . . 0.0 111.917 167.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -64.59 -41.17 96.43 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.191 -0.909 . . . . 0.0 112.865 171.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.59 -57.49 12.72 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 120.506 1.503 . . . . 0.0 111.335 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.3 tp -65.84 -39.97 91.32 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.353 -0.842 . . . . 0.0 112.39 -177.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.36 -47.17 87.29 Favored Glycine 0 N--CA 1.469 0.865 0 CA-C-N 119.019 0.827 . . . . 0.0 112.425 177.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.424 ' HA ' HG22 ' B' ' 33' ' ' VAL . 12.4 ttm180 -52.31 -37.5 55.93 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.982 1.313 . . . . 0.0 112.829 172.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.21 -48.89 23.93 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 123.49 0.716 . . . . 0.0 111.002 176.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.551 HD22 ' CE2' ' B' ' 45' ' ' PHE . 1.4 mm? -75.68 -30.9 59.53 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.2 -0.937 . . . . 0.0 112.404 -179.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' B' ' 30' ' ' ARG . 1.1 m -70.73 -12.09 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.405 HG22 ' HD1' ' A' ' 122' ' ' HIS . 0.2 OUTLIER -72.7 -0.79 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 CA-C-N 120.462 1.483 . . . . 0.0 113.617 170.872 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 12.3 t80 45.66 47.19 3.75 Favored Pre-proline 0 CA--C 1.562 1.412 0 C-N-CA 125.62 1.568 . . . . 0.0 114.325 -166.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -81.82 170.0 14.45 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.074 2.516 . . . . 0.0 114.228 -171.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 4.9 p90 -57.61 -28.81 63.98 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 169.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.41 ' H ' ' HG1' ' B' ' 38' ' ' THR . 1.2 p -60.95 -22.06 64.06 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.529 1.532 . . . . 0.0 113.856 174.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -57.74 -24.16 55.62 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.605 1.093 . . . . 0.0 112.889 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.01 -33.83 8.51 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.738 1.215 . . . . 0.0 113.43 171.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -92.79 11.56 26.57 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.459 1.504 . . . . 0.0 113.7 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -60.54 -15.87 31.81 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 178.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -50.52 -17.08 0.44 Allowed 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.803 1.409 . . . . 0.0 114.803 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 53.2 m -96.69 10.0 39.97 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.76 1.624 . . . . 0.0 114.707 174.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.551 ' CE2' HD22 ' B' ' 32' ' ' LEU . 19.8 m-85 -110.68 -20.29 12.57 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 120.257 -1.527 . . . . 0.0 114.607 -172.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.43 -7.64 17.39 Favored Glycine 0 CA--C 1.54 1.63 0 N-CA-C 117.318 1.687 . . . . 0.0 117.318 170.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -151.39 -130.21 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 119.419 1.61 . . . . 0.0 111.538 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 65.5 8.25 4.93 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.043 2.137 . . . . 0.0 115.539 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 88.2 p -58.19 -16.88 15.26 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' THR . . . . . 0.497 ' HG1' ' H ' ' B' ' 53' ' ' ALA . 61.5 p -129.79 158.92 72.24 Favored Pre-proline 0 N--CA 1.469 0.501 0 C-N-CA 125.022 1.329 . . . . 0.0 110.327 154.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.15 -42.77 62.95 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 122.655 2.237 . . . . 0.0 114.157 172.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -59.21 -36.86 76.15 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.351 -0.843 . . . . 0.0 111.972 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.497 ' H ' ' HG1' ' B' ' 50' ' ' THR . . . -64.56 -36.67 84.96 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 176.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.68 -40.17 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 120.704 1.593 . . . . 0.0 112.628 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 5.1 ttm -80.46 -17.04 52.88 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -103.13 -22.87 8.89 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.191 1.377 . . . . 0.0 115.069 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -54.15 120.33 24.54 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 125.233 1.413 . . . . 0.0 111.882 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -61.28 -29.57 86.48 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.416 2.077 . . . . 0.0 113.14 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -63.3 -38.68 92.1 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.769 1.168 . . . . 0.0 112.176 171.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 71.4 t -69.72 -34.58 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-N 119.547 1.067 . . . . 0.0 111.736 174.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -66.89 -50.11 63.47 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 120.121 1.328 . . . . 0.0 111.798 173.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.31 -49.15 78.74 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.509 1.124 . . . . 0.0 112.452 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -67.32 -33.01 74.38 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.928 -1.108 . . . . 0.0 111.94 176.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.25 -48.15 76.87 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 126.427 1.965 . . . . 0.0 113.361 168.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -56.95 -44.39 82.5 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 117.759 0.78 . . . . 0.0 111.037 169.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -61.95 -50.44 72.11 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.706 0.802 . . . . 0.0 112.786 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.09 -45.44 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-N 119.859 1.208 . . . . 0.0 112.363 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.79 -33.65 68.76 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.239 -0.913 . . . . 0.0 112.176 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.97 -34.79 77.46 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.278 1.418 . . . . 0.0 113.234 174.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.53 -51.0 71.73 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.717 1.258 . . . . 0.0 110.565 165.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -54.07 -38.86 65.75 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.959 -1.088 . . . . 0.0 113.637 173.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.3 p -65.42 -36.31 83.56 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.839 -1.163 . . . . 0.0 113.426 173.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -27.15 68.12 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.405 -0.809 . . . . 0.0 112.245 169.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.74 -63.16 5.53 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 166.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 mt -53.72 -33.89 57.05 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.51 -24.58 59.01 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 176.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -141.09 40.51 1.79 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.183 1.393 . . . . 0.0 113.226 -172.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 77.5 mt -55.99 -21.47 21.37 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.873 -1.142 . . . . 0.0 114.063 176.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -59.1 -38.49 79.67 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.859 1.264 . . . . 0.0 113.636 175.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -161.46 61.83 0.27 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.345 1.058 . . . . 0.0 113.217 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.444 HD21 ' H ' ' B' ' 81' ' ' LEU . 0.5 OUTLIER -61.35 -18.53 59.08 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -179.358 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -55.44 -31.06 61.6 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.77 -1.206 . . . . 0.0 113.32 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.6 -23.55 42.51 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.3 0.952 . . . . 0.0 114.639 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.88 -16.73 43.31 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 118.905 1.352 . . . . 0.0 113.62 -179.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -113.41 0.81 14.88 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 116.188 1.921 . . . . 0.0 116.188 -174.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.17 -35.41 35.9 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 121.028 1.74 . . . . 0.0 115.528 -168.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 21.6 p -66.48 -40.24 89.21 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.428 1.091 . . . . 0.0 112.994 173.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 23.1 mt -67.03 -47.8 70.28 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 123.728 0.811 . . . . 0.0 109.932 171.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 4.6 m -56.01 -40.64 73.69 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 119.26 0.936 . . . . 0.0 112.293 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -60.24 -53.15 61.16 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.76 0.824 . . . . 0.0 111.676 171.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 45.0 tp -52.78 -46.18 67.48 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 120.944 -1.098 . . . . 0.0 111.925 174.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -80.28 -13.71 58.98 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 120.871 -1.143 . . . . 0.0 113.806 -174.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 42.0 t -102.31 -75.87 0.59 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.917 0.887 . . . . 0.0 110.135 169.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -61.6 -21.76 64.62 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.979 1.712 . . . . 0.0 115.12 -171.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -111.17 -20.06 12.48 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 175.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 79.7 mt -127.79 -34.81 2.15 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -176.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 35.11 19.33 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 130.338 3.455 . . . . 0.0 119.609 -175.079 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 1.4 m -51.26 149.48 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.504 1.522 . . . . 0.0 113.581 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.97 141.5 95.54 Favored Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -45.41 -39.13 16.4 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 125.056 3.837 . . . . 0.0 116.454 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -51.7 -27.09 10.71 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.796 1.238 . . . . 0.0 114.095 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -65.07 -44.23 89.59 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 120.759 -1.213 . . . . 0.0 110.84 175.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -67.43 -43.97 79.88 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.324 1.05 . . . . 0.0 110.126 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -43.14 80.56 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.507 1.123 . . . . 0.0 112.094 173.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.59 -47.36 84.14 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.071 0.948 . . . . 0.0 111.507 173.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -41.65 69.09 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.196 0.907 . . . . 0.0 111.018 173.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.08 -48.55 78.77 Favored Glycine 0 CA--C 1.523 0.563 0 CA-C-O 118.826 -0.986 . . . . 0.0 113.91 171.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -52.55 -50.67 62.45 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.1 1.45 . . . . 0.0 111.36 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -62.28 -38.26 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 121.581 -0.699 . . . . 0.0 111.819 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 52.1 tp -62.99 -57.56 10.31 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.543 1.137 . . . . 0.0 111.89 175.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 12.4 m -60.83 -32.05 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 118.876 0.762 . . . . 0.0 111.567 -175.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 69.1 m -59.71 -46.25 89.65 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 117.607 -1.187 . . . . 0.0 112.698 173.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.63 -44.21 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 CA-C-N 121.904 2.138 . . . . 0.0 113.266 -174.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -36.63 84.3 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 125.084 1.353 . . . . 0.0 110.101 -176.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.46 -7.07 17.16 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.462 1.653 . . . . 0.0 115.462 173.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . 0.4 ' CE1' ' CB ' ' A' ' 110' ' ' ALA . 0.8 OUTLIER -109.73 -41.56 4.5 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.667 1.122 . . . . 0.0 111.081 -176.889 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -63.58 -38.49 91.31 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.794 -0.566 . . . . 0.0 112.168 164.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -127.26 25.13 6.21 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.635 1.174 . . . . 0.0 112.768 -167.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -48.19 -35.06 13.58 Favored Glycine 0 N--CA 1.481 1.635 0 C-N-CA 125.194 1.378 . . . . 0.0 115.544 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -55.29 -34.69 64.34 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.97 1.708 . . . . 0.0 113.95 172.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -104.78 -19.91 13.77 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.412 1.885 . . . . 0.0 112.778 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -78.47 71.71 4.95 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.786 1.635 . . . . 0.0 111.922 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 69.7 p -61.74 161.46 21.14 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 124.747 1.219 . . . . 0.0 112.226 175.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -43.65 -50.17 7.28 Favored 'Trans proline' 0 CA--C 1.55 1.282 0 C-N-CA 123.137 2.558 . . . . 0.0 114.914 167.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . 0.424 ' HA ' HD12 ' A' ' 34' ' ' LEU . 30.2 Cg_endo -65.65 -32.99 46.66 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.048 1.832 . . . . 0.0 115.598 176.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 14.8 t -52.11 -44.02 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 120.473 1.488 . . . . 0.0 111.919 172.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.65 -43.1 99.49 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.179 -0.95 . . . . 0.0 112.2 177.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.12 -30.01 70.73 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.191 0.996 . . . . 0.0 113.333 175.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.7 -55.36 13.47 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.602 0.637 . . . . 0.0 110.904 172.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -56.12 -44.01 78.72 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.674 -0.641 . . . . 0.0 112.373 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -55.76 -42.53 75.59 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.655 -0.653 . . . . 0.0 112.748 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -64.9 -44.22 90.3 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.614 1.097 . . . . 0.0 113.304 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 2.1 p -70.08 -38.43 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 121.364 -0.835 . . . . 0.0 112.413 175.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 89.6 t -68.68 -37.03 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 118.648 0.658 . . . . 0.0 111.963 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.18 94.75 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.237 -0.915 . . . . 0.0 111.792 169.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.79 -48.81 75.25 Favored Glycine 0 N--CA 1.471 1.005 0 O-C-N 121.801 -0.562 . . . . 0.0 112.808 169.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -45.73 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 118.095 0.948 . . . . 0.0 111.716 174.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.72 -49.53 77.12 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 122.982 0.513 . . . . 0.0 111.472 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -35.32 80.6 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.822 -0.549 . . . . 0.0 111.725 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.79 -38.7 76.75 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.453 0.57 . . . . 0.0 111.995 175.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.6 -33.41 75.59 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.911 1.232 . . . . 0.0 111.655 172.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.94 -8.9 52.62 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 170.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -51.16 -42.76 61.02 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 120.387 -1.445 . . . . 0.0 113.685 -176.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -70.7 1.4 5.38 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 . . . . . 0 CA--C 1.551 1.01 0 CA-C-N 119.908 1.231 . . . . 0.0 112.637 168.253 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.508 2.453 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 63.2 mt -147.29 179.63 7.5 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 119.911 -1.743 . . . . 0.0 112.436 -173.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -105.91 167.87 9.05 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 127.192 2.197 . . . . 0.0 109.79 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -76.63 -41.47 0.42 Allowed 'Trans proline' 0 CA--C 1.54 0.779 0 CA-C-N 121.484 1.566 . . . . 0.0 113.108 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.58 -35.6 77.59 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.03 -35.68 77.53 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.601 -0.687 . . . . 0.0 112.406 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -56.83 -49.41 75.51 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.699 1.199 . . . . 0.0 110.004 173.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 75.2 m -58.1 -49.91 75.31 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.905 0.882 . . . . 0.0 111.931 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -65.23 -39.39 92.67 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.813 0.733 . . . . 0.0 112.329 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 36.5 t -62.2 -47.56 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.287 1.035 . . . . 0.0 111.644 173.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -60.09 -45.39 93.1 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.247 0.93 . . . . 0.0 111.317 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.28 66.24 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.274 0.63 . . . . 0.0 111.214 176.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.84 -54.31 47.92 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.718 0.807 . . . . 0.0 112.242 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -62.95 -27.78 69.63 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.546 -0.721 . . . . 0.0 112.813 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.26 -44.17 98.06 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.722 1.153 . . . . 0.0 113.4 171.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -71.82 -35.56 69.97 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 118.603 1.202 . . . . 0.0 111.38 174.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 71.4 t -59.13 -44.35 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.111 0.964 . . . . 0.0 111.29 174.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.72 -136.11 5.06 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.605 1.574 . . . . 0.0 115.406 169.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.94 -22.6 60.21 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -72.26 -11.79 60.87 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.536 1.134 . . . . 0.0 113.401 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.49 -45.78 26.62 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.697 1.199 . . . . 0.0 114.2 -175.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.76 -34.39 89.8 Favored Glycine 0 N--CA 1.469 0.88 0 CA-C-O 119.661 -0.522 . . . . 0.0 113.601 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -66.96 -46.05 75.86 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.945 0.898 . . . . 0.0 110.216 174.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -65.13 -35.85 82.4 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.703 -0.623 . . . . 0.0 111.56 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.42 -48.02 73.07 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 123.939 0.78 . . . . 0.0 112.454 170.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.6 -46.72 80.71 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.411 1.106 . . . . 0.0 111.797 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.74 -38.24 90.33 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.424 -0.798 . . . . 0.0 112.186 174.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . 0.424 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -65.64 -40.11 92.17 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.534 -0.729 . . . . 0.0 112.329 177.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.56 -42.91 98.32 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.948 1.299 . . . . 0.0 111.67 171.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.59 -45.91 88.08 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.713 0.805 . . . . 0.0 112.008 176.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -36.09 81.48 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 121.124 -0.985 . . . . 0.0 112.66 173.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -61.77 -42.44 98.99 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.224 0.92 . . . . 0.0 111.225 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -62.55 1.68 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.947 0.899 . . . . 0.0 111.343 167.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' D' ' 125' ' ' PRO . 0.6 OUTLIER -75.38 -34.73 61.13 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 119.743 -0.783 . . . . 0.0 113.043 -157.543 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -70.42 -20.19 62.93 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.02 68.88 11.68 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.435 1.094 . . . . 0.0 110.496 -166.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.47 -21.41 23.84 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 123.855 3.037 . . . . 0.0 116.08 -174.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 5.1 p -52.21 -26.67 12.26 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.786 1.635 . . . . 0.0 114.377 166.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 82.1 p -64.12 -37.49 87.66 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 120.865 -1.147 . . . . 0.0 113.258 170.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . 0.414 ' HA ' ' HE3' ' C' ' 40' ' ' LYS . 0.4 OUTLIER -68.26 -32.43 72.59 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -165.194 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 9.0 t -58.71 -25.66 63.13 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 175.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -67.37 -23.83 65.63 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.539 -1.35 . . . . 0.0 113.497 172.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -150.16 77.7 8.2 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 124.545 1.138 . . . . 0.0 112.513 178.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.85 -148.25 0.02 OUTLIER 'Trans proline' 0 CA--C 1.549 1.268 0 C-N-CA 123.808 3.005 . . . . 0.0 110.145 166.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.287 0.7 OUTLIER 57.5 12.46 1.51 Allowed 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.533 1.933 . . . . 0.0 116.072 -175.745 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -105.28 133.94 49.21 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.331 1.852 . . . . 0.0 110.704 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -99.85 80.31 2.31 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.467 1.507 . . . . 0.0 111.542 -177.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 47.5 mt -74.57 36.19 0.1 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.428 1.491 . . . . 0.0 114.518 -174.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -74.3 40.84 0.13 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 126.557 1.943 . . . . 0.0 113.348 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . 0.25 0.6 OUTLIER 55.54 151.42 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 130.725 3.61 . . . . 0.0 116.643 -164.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 46.59 37.54 8.85 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 126.075 1.798 . . . . 0.0 116.45 173.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 13.0 p -68.74 151.68 46.33 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -163.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.02 -18.7 59.17 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.573 1.149 . . . . 0.0 113.792 173.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -90.57 -45.18 9.08 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.479 1.112 . . . . 0.0 111.51 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 98.1 t -68.66 -36.41 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 O-C-N 121.188 -0.945 . . . . 0.0 111.697 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -45.76 90.3 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.675 1.125 . . . . 0.0 112.187 173.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.6 -51.19 37.83 Favored Glycine 0 N--CA 1.471 0.971 0 C-N-CA 124.034 0.826 . . . . 0.0 111.788 -177.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -54.33 -42.59 70.37 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.484 0.713 . . . . 0.0 111.391 171.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.17 -51.86 47.76 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 121.076 -1.015 . . . . 0.0 114.085 170.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -58.97 -37.68 77.35 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 118.856 1.328 . . . . 0.0 112.506 175.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.69 -49.56 58.02 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 118.443 -0.789 . . . . 0.0 112.605 175.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 84.9 t -55.04 -44.52 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 CA-C-N 119.913 1.233 . . . . 0.0 110.771 173.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.54 69.54 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 174.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -59.17 -38.76 80.54 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.134 0.879 . . . . 0.0 112.29 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.9 -37.5 87.63 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 171.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -42.9 97.24 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.484 0.584 . . . . 0.0 111.325 171.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 21.7 m -59.1 -44.99 92.0 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.64 1.109 . . . . 0.0 111.86 171.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -59.87 -42.93 94.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.379 1.072 . . . . 0.0 111.959 174.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.29 -50.63 72.93 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.46 -0.775 . . . . 0.0 111.56 170.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 73.6 t -55.43 -39.93 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 CA-C-N 119.489 1.04 . . . . 0.0 112.101 175.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.24 -23.48 65.71 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -144.45 41.22 1.34 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.099 1.36 . . . . 0.0 111.748 -173.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 p -64.37 -12.55 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 -161.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.4 -7.02 20.19 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 169.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -114.12 -2.74 13.37 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.258 1.823 . . . . 0.0 112.627 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 76' ' ' MET . . . . . 0.431 ' HA ' ' HB2' ' C' ' 79' ' ' ALA . 23.4 ptt? -56.21 -20.52 0.55 Allowed Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 118.099 2.629 . . . . 0.0 118.099 178.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -47.96 -37.49 29.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 CA-C-N 123.856 2.413 . . . . 0.0 113.992 165.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -88.93 -41.12 12.6 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.662 0.785 . . . . 0.0 112.486 175.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 79' ' ' ALA . . . . . 0.431 ' HB2' ' HA ' ' C' ' 76' ' ' MET . . . -67.8 -11.43 58.5 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -177.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 62.8 mt -110.86 7.36 21.84 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.362 1.465 . . . . 0.0 113.223 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 69.4 m -53.33 -36.87 61.77 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.91 1.232 . . . . 0.0 114.086 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.58 -28.11 65.25 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 174.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 mt -86.39 -35.81 19.55 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.343 1.057 . . . . 0.0 111.069 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 37.8 m -63.27 -34.42 77.64 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.088 -0.958 . . . . 0.0 112.149 165.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.0 -51.22 68.9 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 120.341 1.428 . . . . 0.0 112.218 167.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 tp -49.05 -45.01 42.25 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.923 0.783 . . . . 0.0 111.854 173.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -70.41 -70.15 0.31 Allowed 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.584 -0.698 . . . . 0.0 110.823 175.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.04 -14.76 25.67 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -171.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -130.68 10.19 5.11 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.318 1.447 . . . . 0.0 113.091 -171.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -138.74 -50.76 0.55 Allowed 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 174.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.98 -12.3 2.21 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 44.38 33.86 0.95 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 128.233 2.613 . . . . 0.0 115.852 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 17.6 t -56.82 135.35 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 -165.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -45.59 121.29 5.26 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 126.062 1.745 . . . . 0.0 112.585 174.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -46.19 -18.99 0.5 Allowed 'Trans proline' 0 C--N 1.352 0.746 1 C-N-CA 125.414 4.076 . . . . 0.0 117.15 176.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 10.4 p -51.06 -39.44 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-N 120.358 1.436 . . . . 0.0 111.989 168.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -57.9 -37.52 74.17 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.751 1.621 . . . . 0.0 112.522 174.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -63.14 -52.48 62.34 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.406 172.389 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -54.16 -44.22 71.29 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 119.288 0.949 . . . . 0.0 110.765 -172.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 55.1 mt -55.06 -64.36 0.86 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.426 1.09 . . . . 0.0 110.589 173.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -35.43 73.41 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.703 0.801 . . . . 0.0 113.101 -177.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 17.9 t -60.68 -51.76 68.0 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.334 1.054 . . . . 0.0 111.913 174.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -59.71 -39.49 84.78 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.922 -0.486 . . . . 0.0 111.068 174.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 104' ' ' CYS . . . . . 0.424 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 55.9 m -59.24 -47.01 86.95 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 118.679 -0.676 . . . . 0.0 111.917 174.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.83 -49.78 76.09 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 123.667 0.787 . . . . 0.0 111.729 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 4.8 mt -51.2 -39.37 56.33 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.85 0.46 . . . . 0.0 111.726 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 34.9 t -68.62 -51.71 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 118.285 -0.864 . . . . 0.0 112.936 170.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 46.0 p -64.9 -36.45 84.41 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.525 1.511 . . . . 0.0 112.832 -172.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.89 -48.22 80.49 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 120.423 1.465 . . . . 0.0 109.983 170.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . 0.406 ' CB ' ' CE1' ' D' ' 116' ' ' HIS . . . -71.08 -20.39 62.36 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -172.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.56 -13.3 20.46 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 170.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -132.03 -13.38 3.18 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -173.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 11.0 mp -98.34 155.04 37.33 Favored Pre-proline 0 CA--C 1.556 1.176 0 C-N-CA 124.983 1.313 . . . . 0.0 110.356 175.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -57.0 -33.72 96.16 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 123.489 2.793 . . . . 0.0 115.639 -171.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.3 -46.0 0.17 Allowed 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 58.62 -9.21 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -175.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -119.32 6.62 11.17 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 1.9 p -47.26 150.07 1.63 Allowed Pre-proline 0 N--CA 1.473 0.708 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -52.22 -31.86 47.9 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 CA-C-N 120.177 1.099 . . . . 0.0 114.811 -172.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.33 -47.41 27.87 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 168.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.82 -43.24 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 120.598 -1.314 . . . . 0.0 113.398 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 122' ' ' HIS . . . . . 0.41 ' HD1' HG22 ' D' ' 34' ' ' VAL . 0.6 OUTLIER -66.71 -39.48 88.06 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 122.171 2.26 . . . . 0.0 111.646 176.831 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.23 -58.31 8.52 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 122.851 0.46 . . . . 0.0 110.251 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 61.2 p -62.04 -51.96 65.89 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-O 118.313 -0.851 . . . . 0.0 113.271 -177.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.66 -39.62 91.56 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.547 1.067 . . . . 0.0 112.024 -177.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.09 -50.59 61.09 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 120.07 1.305 . . . . 0.0 111.936 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -26.19 66.88 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -68.55 -51.23 45.11 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.655 1.182 . . . . 0.0 112.173 168.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -58.27 -34.05 70.08 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 120.693 -1.255 . . . . 0.0 111.919 173.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.35 -35.16 68.47 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 173.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 89.9 p -69.96 -43.27 71.89 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 119.98 -1.7 . . . . 0.0 110.858 171.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 53.4 t -53.53 -51.75 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.435 1.494 . . . . 0.0 111.063 170.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 86.2 p -64.68 -39.93 94.52 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.469 1.031 . . . . 0.0 113.055 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 4.0 m -51.91 -55.84 17.72 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 118.887 0.767 . . . . 0.0 110.253 170.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 30.6 m -69.65 -27.57 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -176.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.63 -12.33 59.96 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 119.28 0.946 . . . . 0.0 112.87 171.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 97.2 m -96.65 -28.52 14.29 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.361 1.464 . . . . 0.0 111.722 171.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 N--CA 1.473 0.676 0 C-N-CA 124.883 1.273 . . . . 0.0 112.44 170.149 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.326 2.2 p . . . . . 0 N--CA 1.513 2.715 0 CA-C-O 117.083 -1.437 . . . . 0.0 113.139 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 75.9 t60 14.08 83.96 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 128.292 2.637 . . . . 0.0 116.256 -172.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.01 161.11 8.83 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.43 0.692 . . . . 0.0 111.312 177.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 2.4 p -64.83 155.53 82.56 Favored Pre-proline 0 N--CA 1.48 1.065 0 O-C-N 121.663 -0.648 . . . . 0.0 109.575 163.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -55.83 -41.21 79.61 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 122.394 2.063 . . . . 0.0 113.781 175.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -68.18 -42.53 79.83 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.169 0.588 . . . . 0.0 111.577 177.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.41 -43.45 97.46 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.23 0.612 . . . . 0.0 111.208 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -54.78 -53.09 59.64 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.589 0.756 . . . . 0.0 111.256 172.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m -55.67 -41.83 74.23 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.179 0.9 . . . . 0.0 111.958 176.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.75 98.81 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 p -69.58 -56.64 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 120.112 1.323 . . . . 0.0 111.411 171.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -67.74 -36.18 80.09 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.221 0.919 . . . . 0.0 113.224 -168.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.74 88.68 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 120.08 1.309 . . . . 0.0 112.277 175.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 tt -72.58 -28.24 62.68 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.596 -0.69 . . . . 0.0 111.5 173.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -63.84 -41.13 97.9 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.276 -0.89 . . . . 0.0 111.339 166.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.51 -27.96 49.73 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 125.599 1.571 . . . . 0.0 115.512 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -100.25 -5.81 26.96 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.626 1.171 . . . . 0.0 113.939 174.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.45 HG23 HG13 ' D' ' 23' ' ' VAL . 0.4 OUTLIER -65.16 138.5 23.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.485 1.114 . . . . 0.0 111.923 -174.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -88.9 67.25 8.17 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.15 0.98 . . . . 0.0 111.174 -175.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 48.8 t -39.74 -45.03 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -164.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -63.16 -57.3 11.01 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.043 0.937 . . . . 0.0 112.473 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -70.0 -52.3 25.35 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.101 0.96 . . . . 0.0 111.053 -175.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . 0.45 HG13 HG23 ' D' ' 18' ' ' VAL . 0.8 OUTLIER -66.07 -29.41 46.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 125.9 1.68 . . . . 0.0 112.41 -179.344 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.9 -40.32 10.73 Favored Glycine 0 C--N 1.341 0.817 0 C-N-CA 124.245 0.926 . . . . 0.0 112.305 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.76 -41.31 99.02 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-N 118.306 1.053 . . . . 0.0 111.937 167.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -64.76 -41.08 96.15 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 118.0 -1.0 . . . . 0.0 112.803 171.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.46 -57.63 12.13 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 120.704 1.593 . . . . 0.0 111.415 174.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 31.1 tp -65.86 -39.7 90.98 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.414 -0.804 . . . . 0.0 112.416 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.39 -47.3 85.86 Favored Glycine 0 N--CA 1.469 0.861 0 CA-C-N 119.04 0.836 . . . . 0.0 112.409 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 30' ' ' ARG . . . . . 0.414 ' HA ' HG23 ' D' ' 33' ' ' VAL . 12.5 ttm180 -52.3 -37.56 56.09 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.959 1.304 . . . . 0.0 112.897 172.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.12 -48.99 22.89 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.431 0.692 . . . . 0.0 111.035 176.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' D' ' 45' ' ' PHE . 1.3 mm? -75.65 -30.93 59.61 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.236 -0.915 . . . . 0.0 112.457 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 33' ' ' VAL . . . . . 0.414 HG23 ' HA ' ' D' ' 30' ' ' ARG . 1.1 m -70.78 -11.9 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-N 119.083 0.856 . . . . 0.0 113.228 179.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 34' ' ' VAL . . . . . 0.41 HG22 ' HD1' ' C' ' 122' ' ' HIS . 0.2 OUTLIER -72.82 -0.74 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 CA-C-N 120.439 1.472 . . . . 0.0 113.504 170.85 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 12.4 t80 45.74 47.08 3.65 Favored Pre-proline 0 CA--C 1.56 1.352 0 C-N-CA 125.652 1.581 . . . . 0.0 114.266 -166.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -81.72 170.04 14.55 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 123.129 2.553 . . . . 0.0 114.197 -171.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 4.9 p90 -57.67 -28.8 64.1 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 168.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -61.09 -21.72 63.95 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.497 1.519 . . . . 0.0 113.878 174.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -57.88 -24.16 56.37 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.605 1.093 . . . . 0.0 112.895 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.11 -33.8 8.79 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.743 1.217 . . . . 0.0 113.381 171.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -92.77 11.5 26.72 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.436 1.494 . . . . 0.0 113.67 -177.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -60.59 -15.76 31.25 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -50.59 -17.1 0.45 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 172.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 52.6 m -96.64 9.97 39.99 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.793 1.637 . . . . 0.0 114.815 174.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . 0.557 ' CE2' HD23 ' D' ' 32' ' ' LEU . 20.1 m-85 -110.54 -20.35 12.59 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 120.266 -1.521 . . . . 0.0 114.66 -172.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.47 -7.67 17.45 Favored Glycine 0 CA--C 1.54 1.646 0 N-CA-C 117.234 1.654 . . . . 0.0 117.234 170.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -151.33 -130.46 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 119.393 1.597 . . . . 0.0 111.522 -177.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 65.86 8.23 5.17 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.079 2.152 . . . . 0.0 115.449 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 88.3 p -58.17 -16.93 15.35 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 50' ' ' THR . . . . . 0.491 ' HG1' ' H ' ' D' ' 53' ' ' ALA . 58.7 p -129.82 158.88 72.39 Favored Pre-proline 0 N--CA 1.471 0.621 0 C-N-CA 124.971 1.309 . . . . 0.0 110.324 154.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.05 -42.57 65.26 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 122.582 2.188 . . . . 0.0 114.258 172.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -59.53 -36.76 76.76 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.355 -0.84 . . . . 0.0 111.854 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 53' ' ' ALA . . . . . 0.491 ' H ' ' HG1' ' D' ' 50' ' ' THR . . . -64.59 -36.82 85.48 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 176.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.65 -40.0 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 120.693 1.588 . . . . 0.0 112.688 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 5.1 ttm -80.5 -16.91 53.15 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -176.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -103.21 -22.91 8.82 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 125.211 1.386 . . . . 0.0 115.039 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -54.04 120.21 23.45 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.17 1.388 . . . . 0.0 111.974 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -61.23 -29.56 86.71 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.463 2.108 . . . . 0.0 113.127 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -63.29 -38.79 92.54 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.797 1.18 . . . . 0.0 112.16 171.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 70.4 t -69.63 -34.52 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 119.518 1.054 . . . . 0.0 111.753 174.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -67.04 -50.16 62.89 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 120.231 1.378 . . . . 0.0 111.717 173.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.18 -49.18 78.66 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.557 1.143 . . . . 0.0 112.519 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -67.45 -32.93 74.12 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.935 -1.103 . . . . 0.0 111.929 176.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.52 -47.94 80.19 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 126.295 1.902 . . . . 0.0 113.377 168.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -56.89 -44.46 82.35 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 117.969 0.884 . . . . 0.0 111.042 169.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -61.85 -50.41 72.36 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.746 0.818 . . . . 0.0 112.779 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 p -60.25 -45.29 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 CA-C-N 119.796 1.18 . . . . 0.0 112.35 174.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.87 -33.67 68.57 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.22 -0.925 . . . . 0.0 112.211 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.9 -34.87 78.04 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.242 1.401 . . . . 0.0 113.211 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.52 -50.98 71.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.635 1.218 . . . . 0.0 110.459 165.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -54.08 -38.94 65.87 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 120.918 -1.114 . . . . 0.0 113.633 173.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 1.3 p -65.31 -36.36 83.83 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.841 -1.162 . . . . 0.0 113.425 173.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -27.08 68.12 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.461 -0.774 . . . . 0.0 112.197 169.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.87 -63.04 5.63 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 166.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 mt -53.9 -33.78 57.58 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 176.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.49 -24.48 59.02 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 176.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -141.08 40.59 1.79 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.134 1.374 . . . . 0.0 113.263 -172.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 77.8 mt -55.92 -21.5 20.86 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 176.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -59.19 -38.62 80.3 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.875 1.27 . . . . 0.0 113.576 175.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -161.25 61.76 0.28 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.357 1.063 . . . . 0.0 113.227 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 81' ' ' LEU . . . . . 0.458 HD21 ' H ' ' D' ' 81' ' ' LEU . 0.5 OUTLIER -61.23 -18.54 58.84 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -179.351 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -55.45 -30.99 61.56 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.688 -1.257 . . . . 0.0 113.289 173.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.74 -23.63 41.67 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.299 0.952 . . . . 0.0 114.484 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.89 -16.73 43.25 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 118.993 1.396 . . . . 0.0 113.562 -178.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -113.49 1.0 14.88 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -174.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.45 -35.28 38.9 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 121.066 1.757 . . . . 0.0 115.555 -168.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 22.0 p -66.44 -40.24 89.36 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.419 1.088 . . . . 0.0 113.041 173.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 23.0 mt -67.07 -47.66 70.59 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 123.559 0.744 . . . . 0.0 110.008 171.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 4.5 m -55.97 -40.76 73.74 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.285 0.948 . . . . 0.0 112.194 177.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -60.24 -53.07 62.08 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.713 0.805 . . . . 0.0 111.593 171.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 44.9 tp -52.88 -46.16 67.79 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.118 -0.989 . . . . 0.0 111.932 174.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -80.38 -13.53 59.07 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.838 -1.164 . . . . 0.0 113.771 -174.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 42.0 t -102.38 -75.89 0.59 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.833 0.853 . . . . 0.0 110.18 169.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.5 -21.71 64.46 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.013 1.725 . . . . 0.0 115.158 -171.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -111.14 -20.22 12.43 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 175.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 80.4 mt -127.7 -34.87 2.16 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -176.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 35.32 19.09 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 130.239 3.416 . . . . 0.0 119.692 -175.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 1.4 m -51.34 149.44 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 125.463 1.505 . . . . 0.0 113.5 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.96 141.62 95.48 Favored Pre-proline 0 CA--C 1.555 1.146 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -45.49 -39.03 16.75 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 125.158 3.906 . . . . 0.0 116.472 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -51.76 -27.07 10.94 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 173.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -65.04 -44.33 89.42 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.855 -1.153 . . . . 0.0 110.808 175.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -67.28 -43.96 80.48 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.274 1.029 . . . . 0.0 110.151 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -43.29 80.38 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.52 1.128 . . . . 0.0 112.06 172.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.57 -47.28 84.52 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.057 0.943 . . . . 0.0 111.497 173.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.31 -41.51 69.05 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.327 0.967 . . . . 0.0 111.046 173.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.33 -48.39 80.81 Favored Glycine 0 CA--C 1.523 0.578 0 CA-C-O 118.823 -0.987 . . . . 0.0 113.958 171.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -52.48 -50.76 62.06 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.041 1.421 . . . . 0.0 111.406 172.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -62.18 -38.26 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 O-C-N 121.514 -0.741 . . . . 0.0 111.872 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.09 -57.54 10.27 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.476 1.111 . . . . 0.0 111.797 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 12.2 m -60.8 -32.01 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 119.001 0.819 . . . . 0.0 111.586 -175.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 69.2 m -59.76 -46.14 90.09 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 117.523 -1.227 . . . . 0.0 112.812 173.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.64 -44.24 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 CA-C-N 121.75 2.068 . . . . 0.0 113.294 -175.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 114' ' ' LEU . . . . . 0.402 ' CD1' ' CE2' ' D' ' 130' ' ' TYR . 0.2 OUTLIER -65.63 -36.57 84.07 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 125.166 1.387 . . . . 0.0 110.034 -176.725 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.52 -7.1 17.66 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 173.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 116' ' ' HIS . . . . . 0.406 ' CE1' ' CB ' ' C' ' 110' ' ' ALA . 0.8 OUTLIER -109.75 -41.74 4.45 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.621 1.1 . . . . 0.0 111.0 -176.807 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -63.6 -38.33 90.72 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.757 -0.589 . . . . 0.0 112.145 164.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -127.38 25.0 6.18 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.763 1.225 . . . . 0.0 112.872 -167.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -48.11 -35.18 13.4 Favored Glycine 0 N--CA 1.481 1.668 0 C-N-CA 125.163 1.363 . . . . 0.0 115.512 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -55.28 -34.54 64.19 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 126.011 1.724 . . . . 0.0 113.885 172.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -104.93 -20.16 13.64 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.499 1.92 . . . . 0.0 112.736 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -78.28 71.78 4.77 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.812 1.645 . . . . 0.0 111.905 -178.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 69.4 p -61.59 161.59 19.52 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 124.747 1.219 . . . . 0.0 112.15 175.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -43.72 -50.19 7.35 Favored 'Trans proline' 0 CA--C 1.55 1.291 0 C-N-CA 123.196 2.597 . . . . 0.0 115.014 166.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 125' ' ' PRO . . . . . 0.431 ' HA ' HD12 ' C' ' 34' ' ' LEU . 29.3 Cg_endo -65.53 -33.13 47.32 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.965 1.777 . . . . 0.0 115.478 176.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 14.6 t -52.17 -43.99 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 CA-C-N 120.567 1.53 . . . . 0.0 111.864 172.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.7 -43.02 99.66 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.155 -0.965 . . . . 0.0 112.147 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.25 -30.02 70.82 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.173 0.989 . . . . 0.0 113.411 175.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.53 -55.37 13.77 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.478 0.581 . . . . 0.0 111.036 172.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 130' ' ' TYR . . . . . 0.402 ' CE2' ' CD1' ' D' ' 114' ' ' LEU . 31.3 m-85 -56.06 -44.07 78.55 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.665 -0.647 . . . . 0.0 112.438 177.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -55.85 -42.42 75.77 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.55 -0.718 . . . . 0.0 112.713 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -64.93 -44.02 90.84 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 119.747 1.158 . . . . 0.0 113.346 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 2.1 p -70.35 -38.4 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 O-C-N 121.228 -0.92 . . . . 0.0 112.35 175.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.84 -36.84 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.583 -0.698 . . . . 0.0 111.957 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.2 95.15 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.195 -0.941 . . . . 0.0 111.865 169.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.84 -48.76 75.84 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 121.825 -0.547 . . . . 0.0 112.759 169.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.64 -45.69 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 118.125 0.962 . . . . 0.0 111.848 174.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.75 76.3 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.129 0.572 . . . . 0.0 111.459 177.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -35.45 80.97 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.849 -0.532 . . . . 0.0 111.613 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.93 77.09 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.495 0.589 . . . . 0.0 112.042 175.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.18 -33.64 76.23 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.816 1.189 . . . . 0.0 111.793 172.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.79 -9.07 53.24 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 170.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -51.16 -42.77 61.02 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.372 -1.455 . . . . 0.0 113.759 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -70.58 1.33 5.33 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -60.11 -17.05 37.29 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 120.033 1.288 . . . . 0.0 112.631 168.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 . . . . . 0 C--O 1.254 1.323 0 C-N-CA 126.556 1.943 . . . . 0.0 112.884 174.627 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.514 2.726 0 N-CA-C 116.33 1.974 . . . . 0.0 116.33 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -130.28 -169.51 2.15 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 121.681 2.037 . . . . 0.0 111.091 -174.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 t 150.4 -35.71 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.721 0 C-N-CA 129.994 3.318 . . . . 0.0 115.421 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -57.66 -176.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 124.466 3.444 . . . . 0.0 116.02 177.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.55 -27.45 1.13 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.531 1.532 . . . . 0.0 115.053 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -54.65 -44.14 72.99 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.822 1.249 . . . . 0.0 113.244 171.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -58.39 -50.83 72.27 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.782 0.833 . . . . 0.0 110.531 170.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.3 m -57.25 -42.34 81.34 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.816 0.846 . . . . 0.0 111.799 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.08 -41.45 77.52 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.123 0.969 . . . . 0.0 112.488 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.99 -38.28 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 119.369 0.986 . . . . 0.0 111.944 173.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -57.01 -47.71 80.22 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.532 1.133 . . . . 0.0 111.716 169.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.66 -51.5 69.67 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.281 0.632 . . . . 0.0 111.448 175.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.6 -54.4 47.47 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.974 0.51 . . . . 0.0 112.155 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -63.89 -29.4 70.59 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.153 -0.967 . . . . 0.0 112.954 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.95 -39.39 96.45 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.457 1.027 . . . . 0.0 113.21 170.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -69.08 -38.15 78.85 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 118.675 1.237 . . . . 0.0 111.605 171.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.8 t -59.28 -53.06 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.729 1.212 . . . . 0.0 111.51 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.64 -128.6 4.0 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.465 1.031 . . . . 0.0 114.442 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.42 -21.99 52.69 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -72.76 -8.27 54.63 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 175.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.58 -50.12 43.76 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.176 0.898 . . . . 0.0 113.244 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.56 -36.56 93.31 Favored Glycine 0 N--CA 1.47 0.917 0 O-C-N 122.005 -0.435 . . . . 0.0 113.544 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.24 -49.89 73.91 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.485 1.114 . . . . 0.0 111.274 171.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -63.45 -37.55 87.71 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.433 1.015 . . . . 0.0 112.237 175.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.32 -60.09 9.39 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.302 0.953 . . . . 0.0 111.66 170.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.07 72.4 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.676 1.19 . . . . 0.0 112.247 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.72 -33.42 71.59 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.787 1.235 . . . . 0.0 113.214 174.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.75 -36.33 70.39 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.135 0.88 . . . . 0.0 111.77 174.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 mt -62.16 -49.38 76.06 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 118.654 0.661 . . . . 0.0 110.314 170.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -56.03 -54.29 46.71 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.096 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -51.46 -51.36 55.69 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 117.914 -1.041 . . . . 0.0 111.378 173.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 57.1 ttp -53.89 -44.56 70.59 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.978 0.808 . . . . 0.0 113.175 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -67.23 -25.38 66.07 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 pp -112.02 -17.93 12.74 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -175.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.7 p -82.39 -28.49 31.42 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.161 1.384 . . . . 0.0 112.993 164.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -141.57 70.7 25.89 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 124.868 1.267 . . . . 0.0 110.794 -175.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -46.81 -28.06 6.37 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 125.006 3.804 . . . . 0.0 116.491 -175.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -16.51 1.42 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.979 2.111 . . . . 0.0 114.47 171.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.3 p -79.67 -23.52 42.41 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.583 -1.323 . . . . 0.0 113.806 173.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -58.57 -32.52 69.01 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.111 1.323 . . . . 0.0 113.732 -177.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.2 t -62.77 -26.21 68.6 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -74.53 3.92 6.9 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.196 0.998 . . . . 0.0 112.714 173.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -126.46 62.71 49.24 Favored Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 127.105 2.162 . . . . 0.0 110.593 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -73.47 2.38 5.8 Favored 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 124.367 3.378 . . . . 0.0 115.663 -172.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -139.94 25.64 2.31 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.081 1.352 . . . . 0.0 113.112 -169.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.91 167.33 13.7 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.668 1.187 . . . . 0.0 113.543 -164.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -117.77 110.82 18.28 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.901 1.281 . . . . 0.0 109.573 176.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.07 3.86 18.98 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.958 1.303 . . . . 0.0 112.97 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.3 m -49.53 138.32 13.87 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.992 1.717 . . . . 0.0 112.489 175.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.45 127.38 31.79 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.732 -0.605 . . . . 0.0 111.51 -177.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.23 15.32 81.67 Favored Glycine 0 CA--C 1.539 1.56 0 CA-C-O 118.734 -1.037 . . . . 0.0 115.35 -176.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.6 t -48.11 121.79 4.6 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.409 1.484 . . . . 0.0 113.524 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.52 -36.55 55.68 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.902 1.281 . . . . 0.0 112.903 176.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -66.8 -38.13 85.9 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.19 0.596 . . . . 0.0 111.998 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.4 t -66.85 -40.39 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 O-C-N 121.492 -0.755 . . . . 0.0 111.066 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -59.66 -51.53 69.38 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 118.966 0.803 . . . . 0.0 110.536 172.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.27 -47.14 92.58 Favored Glycine 0 N--CA 1.471 1.024 0 C-N-CA 124.886 1.231 . . . . 0.0 113.33 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -63.85 -41.03 97.89 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.165 0.983 . . . . 0.0 111.55 172.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.4 -48.43 54.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 121.188 -0.945 . . . . 0.0 113.744 171.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -57.61 -39.83 77.74 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.006 0.922 . . . . 0.0 112.05 172.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -47.94 69.71 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 176.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 66.1 t -56.5 -44.79 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-N 120.433 1.47 . . . . 0.0 111.087 173.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.5 69.44 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 175.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -59.71 -34.72 73.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.268 0.627 . . . . 0.0 111.641 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.72 -36.18 82.87 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.714 -1.241 . . . . 0.0 113.998 169.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.14 -40.21 94.1 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.718 1.145 . . . . 0.0 111.277 169.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 56.1 m -60.65 -43.45 97.56 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.479 1.036 . . . . 0.0 112.309 170.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -61.07 -42.69 98.98 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.808 1.643 . . . . 0.0 111.919 175.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.4 -51.85 67.73 Favored 'General case' 0 C--O 1.22 -0.449 0 O-C-N 121.152 -0.967 . . . . 0.0 111.137 168.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.6 t -54.57 -31.85 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.798 1.239 . . . . 0.0 113.386 177.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.52 -24.89 56.86 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 175.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -138.95 18.98 2.64 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.611 1.165 . . . . 0.0 113.805 -167.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.9 p -58.78 -25.62 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 O-C-N 120.302 -1.499 . . . . 0.0 114.46 -170.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -80.34 -9.35 59.74 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 121.058 -1.026 . . . . 0.0 113.119 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -135.09 21.05 3.46 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 128.183 2.593 . . . . 0.0 111.277 -175.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.8 ttm -58.96 -32.76 13.74 Favored Pre-proline 0 CA--C 1.551 0.985 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -162.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -53.49 23.85 0.02 OUTLIER 'Trans proline' 0 CA--C 1.555 1.543 1 C-N-CA 127.221 5.281 . . . . 0.0 119.031 168.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -143.86 -40.74 0.28 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 127.24 2.216 . . . . 0.0 110.835 173.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.42 -35.64 79.86 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.2 mt -92.66 6.2 48.27 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.3 m -58.07 -33.42 69.03 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.246 1.385 . . . . 0.0 114.645 -174.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.24 -33.44 73.51 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.062 -1.024 . . . . 0.0 112.66 171.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.8 mt -80.81 -39.98 25.75 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 124.399 1.08 . . . . 0.0 111.366 -178.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 94.3 p -66.65 -33.15 75.01 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 118.524 -0.75 . . . . 0.0 112.004 170.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -53.82 51.67 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.623 1.101 . . . . 0.0 111.221 168.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 31.6 tp -52.16 -64.88 0.67 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.052 0.541 . . . . 0.0 110.485 171.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.29 7.54 0.14 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 126.188 1.795 . . . . 0.0 115.32 -173.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -130.15 -34.82 1.63 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.185 1.394 . . . . 0.0 113.067 173.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -79.84 -34.69 39.2 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.696 0.798 . . . . 0.0 112.596 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -154.4 119.48 5.01 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.919 1.288 . . . . 0.0 111.181 -177.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 70.04 93.82 0.08 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.193 1.797 . . . . 0.0 110.168 -173.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.5 HH21 HG12 ' D' ' 98' ' ' VAL . 0.0 OUTLIER -62.75 -10.82 14.15 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 -172.256 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.0 t 30.66 89.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 C-N-CA 128.407 2.683 . . . . 0.0 114.292 -173.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -55.25 135.4 68.9 Favored Pre-proline 0 CA--C 1.546 0.808 0 CA-C-O 118.0 -1.0 . . . . 0.0 112.027 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -45.38 -30.49 5.62 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.607 2.871 . . . . 0.0 115.79 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.2 p -56.92 -40.5 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 120.731 -1.231 . . . . 0.0 112.773 174.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -68.92 -35.22 76.56 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 120.845 -1.16 . . . . 0.0 112.215 -175.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -46.97 64.69 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.053 0.388 . . . . 0.0 110.327 168.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -63.64 -39.1 93.5 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.137 0.575 . . . . 0.0 110.62 -174.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.0 mt -59.18 -56.19 25.31 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.571 0.748 . . . . 0.0 111.239 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -37.21 86.64 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.79 0.723 . . . . 0.0 111.54 -178.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.6 t -59.0 -48.46 81.51 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.71 1.204 . . . . 0.0 112.314 173.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -56.8 -44.03 81.52 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.13 -0.981 . . . . 0.0 111.709 172.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 71.9 m -63.78 -37.68 88.29 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 175.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 35.7 mt -60.92 -46.66 89.77 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.463 1.028 . . . . 0.0 111.925 172.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 75.1 mt -53.38 -47.68 69.27 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.525 1.057 . . . . 0.0 110.732 174.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.6 t -55.94 -48.12 79.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 118.735 -0.65 . . . . 0.0 112.423 174.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.5 p -68.27 -40.15 81.94 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.753 1.615 . . . . 0.0 113.284 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.0 -44.1 87.01 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.592 1.087 . . . . 0.0 110.091 175.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.83 -30.77 64.09 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 175.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.74 -7.83 23.87 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -135.3 -43.82 0.7 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.45 1.1 . . . . 0.0 113.905 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.52 166.36 42.84 Favored Pre-proline 0 CA--C 1.562 1.422 0 C-N-CA 123.587 0.755 . . . . 0.0 109.388 172.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -58.71 -136.29 0.0 OUTLIER 'Trans proline' 0 CA--C 1.551 1.361 1 C-N-CA 125.806 4.337 . . . . 0.0 115.861 174.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.43 28.02 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.156 0 O-C-N 119.214 -2.179 . . . . 0.0 114.613 172.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.21 -19.74 2.19 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 129.439 3.096 . . . . 0.0 117.147 -151.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.437 ' CE2' HG11 ' B' ' 113' ' ' VAL . 20.8 p90 -74.03 37.65 0.1 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.814 2.046 . . . . 0.0 109.476 161.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.01 167.7 29.35 Favored Pre-proline 0 N--CA 1.488 1.454 0 C-N-CA 126.157 1.783 . . . . 0.0 112.041 -170.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.94 -40.11 58.59 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.032 1.822 . . . . 0.0 114.924 174.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.69 -58.51 2.78 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.854 0.462 . . . . 0.0 109.961 174.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.66 -30.14 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 121.018 -1.051 . . . . 0.0 112.663 -168.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.62 -50.02 54.69 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 120.497 -1.377 . . . . 0.0 111.705 170.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.99 -39.86 79.29 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.982 0.81 . . . . 0.0 110.312 176.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.3 m -58.98 -60.87 3.18 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 125.58 1.552 . . . . 0.0 111.905 174.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 52.4 mt -64.85 -39.62 93.86 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 117.862 -1.066 . . . . 0.0 112.019 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -55.56 -56.5 19.58 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 120.45 1.477 . . . . 0.0 111.798 173.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -33.27 71.73 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -69.08 -50.28 49.77 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.604 1.093 . . . . 0.0 111.369 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.3 -39.58 87.44 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.122 0.873 . . . . 0.0 110.611 172.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.19 80.43 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.835 1.198 . . . . 0.0 113.179 172.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.8 p -68.59 -40.53 80.43 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.861 1.21 . . . . 0.0 112.401 171.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 78.2 t -55.39 -50.14 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.9 t -50.93 -61.92 1.92 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.333 1.053 . . . . 0.0 112.329 171.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 51.6 m -47.54 -34.86 8.14 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.0 1.32 . . . . 0.0 113.446 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 89.5 t -83.75 -45.12 18.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.545 0.738 . . . . 0.0 111.907 177.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.97 -27.92 69.18 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.285 1.034 . . . . 0.0 113.34 175.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 36.1 p -103.3 10.94 37.31 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 127.421 2.289 . . . . 0.0 112.551 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 40.2 t . . . . . 0 N--CA 1.477 0.924 0 C-N-CA 125.781 1.632 . . . . 0.0 113.077 -175.073 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.298 4.7 p . . . . . 0 N--CA 1.515 2.784 0 CA-C-O 116.765 -1.588 . . . . 0.0 113.726 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -1.26 88.73 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 128.587 2.755 . . . . 0.0 115.678 -169.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.33 161.64 19.19 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 122.16 -0.337 . . . . 0.0 110.866 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.04 148.79 94.54 Favored Pre-proline 0 N--CA 1.479 0.992 0 CA-C-O 118.362 -0.828 . . . . 0.0 109.069 163.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -52.7 -41.74 67.32 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 123.287 2.658 . . . . 0.0 115.598 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -69.93 -35.55 74.64 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.373 -0.83 . . . . 0.0 112.295 177.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.51 -44.77 73.96 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.56 -0.712 . . . . 0.0 111.484 172.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.99 -47.23 68.39 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.146 0.978 . . . . 0.0 111.161 170.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.9 t -57.52 -48.39 79.4 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.113 0.87 . . . . 0.0 111.188 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.21 -49.87 74.65 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 p -65.22 -52.23 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 119.792 1.178 . . . . 0.0 111.882 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.504 ' HG1' HD22 ' B' ' 75' ' ' LEU . 7.4 m -71.61 -35.91 70.63 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.156 0.889 . . . . 0.0 111.951 -164.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.62 94.27 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.544 0.611 . . . . 0.0 112.194 172.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 tt -73.0 -35.0 66.74 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.422 -0.799 . . . . 0.0 111.627 177.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . 0.486 ' CZ3' HD21 ' B' ' 114' ' ' LEU . 0.1 OUTLIER -63.49 -29.42 70.7 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.73 -1.231 . . . . 0.0 113.103 165.477 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.04 -41.18 98.65 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.37 0.986 . . . . 0.0 113.247 175.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -84.13 -18.19 37.62 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 175.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.7 137.87 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 121.694 0.759 . . . . 0.0 112.971 -172.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -83.48 72.23 10.27 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.708 1.203 . . . . 0.0 110.173 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 76.2 t -41.69 -49.03 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 125.581 1.552 . . . . 0.0 115.171 -164.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.91 -49.89 74.37 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.992 1.317 . . . . 0.0 114.29 174.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -70.18 -55.13 10.11 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.152 0.581 . . . . 0.0 110.63 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.49 -37.53 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 124.638 1.175 . . . . 0.0 112.249 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.43 -42.75 26.71 Favored Glycine 0 C--N 1.339 0.711 0 C-N-CA 123.876 0.751 . . . . 0.0 111.376 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.42 -43.76 97.18 Favored Glycine 0 CA--C 1.525 0.688 0 CA-C-N 117.899 0.85 . . . . 0.0 112.561 170.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.77 -43.85 87.59 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.239 1.019 . . . . 0.0 111.81 175.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.29 -50.38 60.51 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 120.734 -1.229 . . . . 0.0 113.129 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 tp -62.02 -47.04 86.51 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.91 -45.17 81.61 Favored Glycine 0 CA--C 1.524 0.598 0 CA-C-O 118.636 -1.091 . . . . 0.0 113.515 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.436 ' HD2' ' SD ' ' B' ' 55' ' ' MET . 3.6 mpt_? -65.76 -44.37 86.09 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.448 1.624 . . . . 0.0 111.793 174.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.35 -47.73 62.67 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.261 1.391 . . . . 0.0 110.863 170.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.473 ' HA ' ' HG1' ' B' ' 38' ' ' THR . 60.8 mt -61.1 2.47 0.13 Allowed 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -178.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 m -135.69 -27.97 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.528 1.531 . . . . 0.0 114.275 177.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -24.13 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 121.106 1.775 . . . . 0.0 111.319 165.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -128.58 68.28 77.88 Favored Pre-proline 0 CA--C 1.531 0.222 0 C-N-CA 124.149 0.98 . . . . 0.0 109.674 -169.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -61.59 -18.9 62.56 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.855 3.037 . . . . 0.0 114.777 -163.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -32.22 49.47 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.16 0.984 . . . . 0.0 113.287 166.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.473 ' HG1' ' HA ' ' B' ' 32' ' ' LEU . 81.2 p -59.28 -10.51 3.04 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.414 -1.429 . . . . 0.0 114.766 172.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -50.88 -34.74 29.46 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 117.433 -1.27 . . . . 0.0 113.871 172.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -38.38 64.01 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 122.101 2.228 . . . . 0.0 113.531 -173.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -72.91 -6.68 46.8 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.795 1.238 . . . . 0.0 113.423 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -16.54 13.57 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 172.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -50.58 -25.89 4.66 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 166.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -106.32 -28.87 10.12 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.867 1.267 . . . . 0.0 113.06 173.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -79.24 -17.09 55.43 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.64 -176.31 20.27 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.181 0.896 . . . . 0.0 112.874 -169.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 27.61 -96.75 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 128.092 2.557 . . . . 0.0 115.186 173.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 tt 53.98 -16.23 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 128.877 2.871 . . . . 0.0 117.743 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 6.0 t -59.09 -14.81 11.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.882 2.073 . . . . 0.0 115.248 -170.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' THR . . . . . 0.604 ' HG1' ' H ' ' B' ' 53' ' ' ALA . 18.6 p -130.05 155.17 81.09 Favored Pre-proline 0 N--CA 1.472 0.661 0 C-N-CA 124.487 1.115 . . . . 0.0 111.658 169.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -41.81 -52.74 3.75 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 124.839 3.693 . . . . 0.0 116.039 165.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.18 -34.8 76.97 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 122.987 0.515 . . . . 0.0 112.051 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.604 ' H ' ' HG1' ' B' ' 50' ' ' THR . . . -60.69 -55.75 29.5 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 122.089 -0.382 . . . . 0.0 110.874 172.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.6 -30.92 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -173.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' MET . . . . . 0.436 ' SD ' ' HD2' ' B' ' 30' ' ' ARG . 2.5 tpp -76.5 -35.33 58.42 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 175.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.85 -35.25 54.8 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 121.694 -0.629 . . . . 0.0 113.629 176.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -52.0 116.51 8.36 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 125.218 1.407 . . . . 0.0 114.127 -168.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -64.55 -27.97 61.59 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.605 2.203 . . . . 0.0 113.155 -174.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -71.23 -31.5 67.64 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 121.083 -1.011 . . . . 0.0 112.874 174.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 97.7 t -65.25 -41.44 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 CA-C-N 118.622 0.646 . . . . 0.0 110.381 167.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -61.42 -46.25 90.9 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.939 0.791 . . . . 0.0 112.612 171.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.37 -47.51 78.99 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.566 1.146 . . . . 0.0 113.221 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -60.09 -39.18 85.25 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.126 -0.984 . . . . 0.0 110.699 169.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -47.99 -52.43 16.86 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 125.971 1.748 . . . . 0.0 114.317 167.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -55.43 -45.31 76.78 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 118.068 0.934 . . . . 0.0 111.448 173.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -63.63 -53.16 55.91 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.293 1.037 . . . . 0.0 113.364 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.59 -48.19 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-N 120.058 1.299 . . . . 0.0 111.786 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.4 tt -69.31 -39.36 78.3 Favored 'General case' 0 C--O 1.223 -0.306 0 O-C-N 121.665 -0.647 . . . . 0.0 111.4 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.3 -34.74 59.49 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.332 0.968 . . . . 0.0 112.912 176.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.19 -44.17 89.26 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.034 0.917 . . . . 0.0 112.458 168.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -58.94 -40.79 85.73 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 120.588 -1.32 . . . . 0.0 110.88 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -67.18 -42.59 83.99 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.457 1.103 . . . . 0.0 112.975 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -58.99 -36.5 75.0 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.679 0.792 . . . . 0.0 111.324 170.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.35 -58.13 16.17 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 123.866 0.746 . . . . 0.0 111.512 168.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.504 HD22 ' HG1' ' B' ' 12' ' ' THR . 10.8 mt -55.09 -30.49 59.8 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 118.513 1.157 . . . . 0.0 113.88 177.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.39 -23.31 40.52 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 173.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -143.53 58.35 1.38 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.432 1.893 . . . . 0.0 112.332 -173.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 90.6 mt -68.47 -7.56 33.11 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.1 -1.0 . . . . 0.0 113.288 175.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -64.8 -27.6 68.99 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -176.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.04 90.37 0.83 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.298 1.039 . . . . 0.0 112.675 170.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 mt -59.87 -40.32 88.25 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.106 -0.996 . . . . 0.0 112.76 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -57.72 -29.09 64.44 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.363 1.065 . . . . 0.0 112.665 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -92.0 -48.18 3.18 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 125.097 1.332 . . . . 0.0 113.175 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.6 t -64.97 -23.06 67.11 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 118.839 1.32 . . . . 0.0 112.621 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -110.89 16.08 21.46 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 124.759 1.224 . . . . 0.0 113.847 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.29 -44.54 72.01 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 120.957 1.708 . . . . 0.0 113.122 -177.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 17.5 p -62.94 -40.93 99.14 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.785 1.234 . . . . 0.0 112.595 173.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 21.3 mt -68.56 -39.57 80.98 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.789 -0.569 . . . . 0.0 111.51 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.432 ' HG ' ' HB3' ' B' ' 143' ' ' HIS . 8.5 t -61.36 -46.38 90.47 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 124.234 1.014 . . . . 0.0 110.946 175.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -57.9 -49.71 75.8 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.71 0.804 . . . . 0.0 112.433 171.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.4 tp -51.5 -56.61 12.42 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.936 0.894 . . . . 0.0 111.296 173.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -74.44 20.62 0.11 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.7 1.6 . . . . 0.0 113.707 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 94.2 m -136.32 -74.01 0.44 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.559 1.544 . . . . 0.0 110.702 171.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.93 -29.2 70.13 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.153 1.781 . . . . 0.0 113.551 -175.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.25 -44.39 8.35 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.678 0.791 . . . . 0.0 111.559 170.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . 0.408 ' C ' ' H ' ' B' ' 98' ' ' VAL . 0.6 OUTLIER -153.88 76.1 1.05 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.087 1.355 . . . . 0.0 113.403 -173.602 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -53.86 33.16 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 129.72 3.208 . . . . 0.0 115.009 163.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' VAL . . . . . 0.492 HG12 HH21 ' C' ' 92' ' ' ARG . 14.0 t -55.7 143.65 8.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 127.489 2.316 . . . . 0.0 111.998 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.61 126.93 1.47 Allowed Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 124.959 1.303 . . . . 0.0 113.398 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.54 -25.59 34.79 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.521 2.148 . . . . 0.0 113.91 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -59.6 -39.6 84.71 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 120.929 1.695 . . . . 0.0 111.159 177.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -57.64 -25.81 60.69 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -72.66 -45.27 59.78 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.253 0.933 . . . . 0.0 109.917 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -44.46 83.34 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.828 1.251 . . . . 0.0 110.571 172.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.25 -46.92 86.68 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.127 0.971 . . . . 0.0 111.392 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.4 tt -53.86 -45.39 70.97 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.459 1.027 . . . . 0.0 110.678 174.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -52.93 -55.15 25.1 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 123.29 0.471 . . . . 0.0 113.138 172.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -58.96 -36.26 74.52 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 89.5 t -67.25 -52.55 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 O-C-N 121.365 -0.834 . . . . 0.0 110.181 176.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 34.0 tp -55.08 -52.84 61.96 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 118.764 0.711 . . . . 0.0 111.574 -174.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 35.2 m -56.42 -34.61 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 7.8 t -69.31 -35.48 76.02 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.801 -0.562 . . . . 0.0 111.393 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . 0.437 HG11 ' CE2' ' A' ' 117' ' ' PHE . 0.7 OUTLIER -69.58 -36.75 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 O-C-N 121.213 -0.929 . . . . 0.0 111.793 176.002 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . 0.486 HD21 ' CZ3' ' B' ' 15' ' ' TRP . 3.7 mp -67.36 -38.37 84.69 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.909 0.777 . . . . 0.0 112.324 172.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.55 -24.51 32.7 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 169.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -53.17 6.91 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 169.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.89 -26.49 65.14 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.976 0.807 . . . . 0.0 113.054 -174.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -133.83 23.65 3.94 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.103 1.361 . . . . 0.0 112.391 -170.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -46.24 -37.68 8.23 Favored Glycine 0 N--CA 1.476 1.331 0 C-N-CA 125.564 1.554 . . . . 0.0 116.646 -172.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -61.3 -30.59 70.58 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.288 1.435 . . . . 0.0 113.382 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -103.7 -11.51 17.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.63 1.972 . . . . 0.0 112.596 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -81.99 60.49 4.85 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.104 1.362 . . . . 0.0 112.772 -174.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 33.5 p -53.41 159.08 2.43 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 125.907 1.683 . . . . 0.0 113.353 -174.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -49.2 -50.03 13.91 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 121.896 1.731 . . . . 0.0 114.315 172.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -65.33 -23.1 59.34 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 CA-C-N 121.239 1.478 . . . . 0.0 115.168 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.14 -41.26 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 121.643 2.02 . . . . 0.0 111.796 175.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -58.1 -47.27 83.75 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.85 0.75 . . . . 0.0 110.644 173.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.1 -31.33 72.49 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 176.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.26 -50.64 59.68 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.481 0.712 . . . . 0.0 110.02 175.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -55.96 -49.16 74.32 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 171.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -60.09 -34.15 73.08 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 118.659 -0.686 . . . . 0.0 112.599 -176.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -68.19 -38.71 82.29 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 171.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 18.8 t -64.45 -43.86 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 CA-C-N 120.097 1.317 . . . . 0.0 110.638 171.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 45.8 t -84.07 -30.39 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -167.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.14 -44.05 92.06 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.627 1.103 . . . . 0.0 110.938 163.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.82 -48.97 82.59 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 123.741 0.686 . . . . 0.0 113.234 171.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.96 -47.38 83.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.453 1.101 . . . . 0.0 111.938 175.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.4 89.11 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.083 0.856 . . . . 0.0 111.53 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -62.09 -39.06 91.17 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.849 -0.532 . . . . 0.0 112.085 175.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.44 -44.09 83.83 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.655 0.782 . . . . 0.0 112.109 173.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.52 -24.92 66.45 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.788 -1.195 . . . . 0.0 112.749 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.67 -2.51 57.62 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 169.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 143' ' ' HIS . . . . . 0.432 ' HB3' ' HG ' ' B' ' 89' ' ' SER . 56.1 t60 -57.81 -38.77 76.15 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 119.673 -1.892 . . . . 0.0 113.627 -175.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -69.21 6.06 1.08 Allowed 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 174.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 . . . . . 0 CA--C 1.558 1.288 0 CA-C-N 120.264 1.393 . . . . 0.0 112.847 171.573 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.514 2.772 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -130.26 -169.42 2.13 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 121.659 2.027 . . . . 0.0 111.055 -174.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t 150.3 -35.77 0.0 OUTLIER Pre-proline 0 N--CA 1.496 1.852 0 C-N-CA 130.014 3.326 . . . . 0.0 115.325 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -57.62 -176.32 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 124.554 3.502 . . . . 0.0 116.009 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.39 -27.47 1.08 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -54.61 -44.09 72.79 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.675 1.19 . . . . 0.0 113.336 171.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -58.48 -50.83 72.32 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.824 0.849 . . . . 0.0 110.51 171.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 51.1 m -57.23 -42.34 81.25 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.939 0.896 . . . . 0.0 111.737 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.16 -41.43 77.26 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.13 0.972 . . . . 0.0 112.419 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 87.2 t -67.88 -38.38 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 119.447 1.021 . . . . 0.0 111.939 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -56.95 -47.71 80.05 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.631 1.173 . . . . 0.0 111.758 169.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.76 -51.32 70.49 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.321 0.648 . . . . 0.0 111.541 175.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.59 -54.56 45.73 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.085 0.554 . . . . 0.0 112.088 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -63.83 -29.25 70.46 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.353 -0.842 . . . . 0.0 113.016 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.1 -39.38 96.24 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.461 1.029 . . . . 0.0 113.303 170.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -69.09 -38.15 78.82 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 118.526 1.163 . . . . 0.0 111.567 171.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.48 -52.88 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.731 1.212 . . . . 0.0 111.555 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.62 -128.7 3.98 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.382 0.992 . . . . 0.0 114.445 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.36 -21.88 51.55 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -72.9 -8.11 54.09 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 175.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.73 -50.13 45.37 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.097 0.862 . . . . 0.0 113.092 -178.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.41 -36.68 93.48 Favored Glycine 0 N--CA 1.471 0.997 0 CA-C-N 118.221 0.464 . . . . 0.0 113.55 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.15 -49.93 73.9 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.59 1.156 . . . . 0.0 111.386 171.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -63.54 -37.3 86.79 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.407 1.003 . . . . 0.0 112.362 175.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.4 -60.14 9.31 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 124.376 0.989 . . . . 0.0 111.639 170.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.83 -49.11 71.85 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.638 1.175 . . . . 0.0 112.242 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -59.78 -33.47 71.74 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.728 1.211 . . . . 0.0 113.17 174.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.65 -36.29 70.65 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 119.067 0.849 . . . . 0.0 111.874 174.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 mt -62.31 -49.3 76.17 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.721 0.691 . . . . 0.0 110.346 170.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -56.01 -54.2 47.7 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.117 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 69.3 mtt85 -51.58 -51.38 55.96 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 117.892 -1.051 . . . . 0.0 111.272 174.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 56.9 ttp -53.8 -44.65 70.32 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.99 0.814 . . . . 0.0 113.065 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -67.27 -25.47 66.08 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 pp -111.98 -17.91 12.76 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -175.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 81.7 p -82.49 -28.48 31.14 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.15 1.38 . . . . 0.0 112.86 164.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -141.6 70.78 25.75 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 124.868 1.267 . . . . 0.0 110.832 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -46.94 -27.92 6.46 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 124.968 3.778 . . . . 0.0 116.491 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.52 -16.15 1.39 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.787 2.035 . . . . 0.0 114.527 171.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 50.0 p -80.07 -23.28 41.44 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 120.591 -1.318 . . . . 0.0 113.699 173.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -58.91 -32.23 69.36 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 120.087 1.312 . . . . 0.0 113.675 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 15.2 t -62.87 -26.22 68.67 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -74.65 3.88 7.12 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.222 1.009 . . . . 0.0 112.604 174.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -126.48 62.75 49.61 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 127.106 2.162 . . . . 0.0 110.613 176.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -73.6 2.41 5.84 Favored 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 124.377 3.385 . . . . 0.0 115.591 -172.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -139.91 25.67 2.31 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.936 1.295 . . . . 0.0 113.017 -169.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.91 167.27 13.78 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.671 1.189 . . . . 0.0 113.56 -164.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -117.63 110.74 18.27 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.073 1.349 . . . . 0.0 109.65 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -79.99 3.81 18.92 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.895 1.278 . . . . 0.0 112.97 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 28.4 m -49.64 138.33 14.28 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.883 1.673 . . . . 0.0 112.411 175.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.41 127.53 32.52 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.886 -0.509 . . . . 0.0 111.549 -177.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.11 15.38 81.66 Favored Glycine 0 CA--C 1.538 1.493 0 CA-C-O 118.782 -1.01 . . . . 0.0 115.426 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 23.3 t -48.15 121.76 4.59 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.484 1.513 . . . . 0.0 113.539 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.35 -36.68 54.17 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.724 1.209 . . . . 0.0 112.979 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -66.92 -38.08 85.53 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.217 0.607 . . . . 0.0 111.957 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.91 -40.21 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.258 0.623 . . . . 0.0 111.209 176.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -59.82 -51.41 69.87 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.981 0.809 . . . . 0.0 110.595 172.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.93 -47.36 91.39 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 125.004 1.287 . . . . 0.0 113.348 -177.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -64.05 -40.87 97.23 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 118.043 0.921 . . . . 0.0 111.583 172.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.41 -48.56 54.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 121.198 -0.939 . . . . 0.0 113.7 171.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -57.58 -39.63 77.18 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.97 0.908 . . . . 0.0 112.152 172.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -47.95 69.14 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 176.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 66.7 t -56.53 -44.68 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 CA-C-N 120.395 1.452 . . . . 0.0 111.179 173.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.83 -51.43 69.75 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -59.97 -34.65 73.58 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.255 0.622 . . . . 0.0 111.532 178.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.03 82.36 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.795 -1.19 . . . . 0.0 114.058 169.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.24 -39.97 93.42 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.75 1.159 . . . . 0.0 111.286 169.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 55.7 m -60.64 -43.59 97.39 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.583 1.083 . . . . 0.0 112.376 170.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -60.76 -42.96 98.48 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.911 1.685 . . . . 0.0 112.031 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.28 -51.89 67.62 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 121.241 -0.912 . . . . 0.0 111.17 168.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 13.9 t -54.51 -31.76 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.786 1.234 . . . . 0.0 113.395 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.76 -24.86 56.1 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -138.9 19.0 2.65 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.702 1.201 . . . . 0.0 113.858 -168.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.66 -25.75 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 120.192 -1.567 . . . . 0.0 114.531 -170.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -80.44 -9.15 59.76 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 121.087 -1.008 . . . . 0.0 113.225 175.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -135.16 20.94 3.44 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 128.195 2.598 . . . . 0.0 111.433 -175.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 6.7 ttm -58.89 -32.7 13.6 Favored Pre-proline 0 CA--C 1.55 0.948 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 -162.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -53.6 23.62 0.02 OUTLIER 'Trans proline' 0 CA--C 1.554 1.515 1 C-N-CA 127.235 5.29 . . . . 0.0 119.014 168.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -143.75 -40.71 0.29 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 127.208 2.203 . . . . 0.0 110.821 173.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.89 80.35 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 19.1 mt -92.48 6.19 48.03 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 72.6 m -58.13 -33.27 68.99 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 120.262 1.392 . . . . 0.0 114.68 -174.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.34 -33.32 73.42 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.001 -1.062 . . . . 0.0 112.701 171.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.7 mt -80.81 -39.93 25.85 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.381 1.072 . . . . 0.0 111.386 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 93.3 p -66.81 -33.07 74.81 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 118.491 -0.766 . . . . 0.0 111.941 170.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -53.73 52.83 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.661 1.119 . . . . 0.0 111.239 168.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 31.4 tp -52.16 -65.02 0.63 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.144 0.578 . . . . 0.0 110.461 171.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.17 7.51 0.13 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.268 1.827 . . . . 0.0 115.329 -173.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -130.25 -34.79 1.61 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.247 1.419 . . . . 0.0 112.931 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -79.87 -34.67 39.02 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.696 0.798 . . . . 0.0 112.638 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -154.45 119.66 5.04 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.872 1.269 . . . . 0.0 111.168 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 69.87 93.95 0.08 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.152 1.781 . . . . 0.0 110.113 -173.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . 0.492 HH21 HG12 ' B' ' 98' ' ' VAL . 0.0 OUTLIER -62.76 -10.76 14.02 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 117.441 2.386 . . . . 0.0 117.441 -172.375 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 38.1 t 30.56 89.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 128.412 2.685 . . . . 0.0 114.266 -173.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.13 135.31 68.17 Favored Pre-proline 0 CA--C 1.546 0.793 0 CA-C-O 117.912 -1.042 . . . . 0.0 112.087 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -45.34 -30.51 5.53 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.554 2.836 . . . . 0.0 115.833 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 5.2 p -57.07 -40.4 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 120.809 -1.182 . . . . 0.0 112.659 174.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -68.86 -35.36 76.83 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 120.907 -1.121 . . . . 0.0 112.211 -175.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.84 -46.91 64.54 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 118.004 0.365 . . . . 0.0 110.32 168.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -63.78 -39.33 93.99 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.082 0.553 . . . . 0.0 110.504 -174.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 68.5 mt -58.85 -56.22 25.08 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.558 0.743 . . . . 0.0 111.324 172.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -37.15 86.39 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.416 -0.803 . . . . 0.0 111.585 -178.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 48.0 t -59.21 -48.4 81.75 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.748 1.219 . . . . 0.0 112.142 173.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -56.83 -44.08 81.71 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 121.051 -1.03 . . . . 0.0 111.615 172.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 72.3 m -63.7 -37.67 88.23 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 175.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 34.8 mt -61.16 -46.73 89.32 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.478 1.035 . . . . 0.0 111.695 172.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 74.4 mt -53.32 -47.56 69.17 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.588 1.085 . . . . 0.0 110.811 174.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 4.5 t -56.02 -48.32 78.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 118.814 -0.612 . . . . 0.0 112.435 174.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 1.4 p -67.96 -40.22 83.22 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.754 1.616 . . . . 0.0 113.351 177.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.04 -44.04 87.15 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 119.715 1.143 . . . . 0.0 110.132 175.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.66 -31.13 64.1 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 175.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.47 -8.03 23.55 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -135.27 -43.65 0.7 Allowed 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.583 1.083 . . . . 0.0 113.84 -177.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.69 166.54 41.7 Favored Pre-proline 0 CA--C 1.564 1.509 0 CA-C-O 118.654 -0.688 . . . . 0.0 109.453 172.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -58.77 -136.4 0.0 OUTLIER 'Trans proline' 0 CA--C 1.55 1.317 1 C-N-CA 125.719 4.279 . . . . 0.0 115.796 174.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.28 27.88 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.103 0 O-C-N 119.113 -2.242 . . . . 0.0 114.643 172.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.4 -19.51 2.21 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 129.323 3.049 . . . . 0.0 117.107 -151.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 117' ' ' PHE . . . . . 0.437 ' CE2' HG11 ' D' ' 113' ' ' VAL . 20.6 p90 -74.11 37.78 0.1 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.588 1.955 . . . . 0.0 109.621 161.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.12 167.65 30.05 Favored Pre-proline 0 N--CA 1.486 1.363 0 C-N-CA 126.074 1.75 . . . . 0.0 112.16 -170.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.99 -40.01 59.13 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.035 1.823 . . . . 0.0 114.94 174.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.65 -58.45 2.8 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.894 0.478 . . . . 0.0 110.055 174.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.74 -30.21 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 120.944 -1.098 . . . . 0.0 112.627 -168.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.54 -49.84 56.47 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 120.15 1.341 . . . . 0.0 111.935 170.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.12 -39.92 79.93 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.921 0.782 . . . . 0.0 110.237 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 20.1 m -58.95 -60.88 3.15 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 125.551 1.54 . . . . 0.0 111.932 174.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 52.1 mt -64.87 -39.49 93.63 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 117.926 -1.035 . . . . 0.0 112.094 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -55.52 -56.42 20.42 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 120.421 1.464 . . . . 0.0 111.89 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -33.15 71.31 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -69.1 -50.15 50.72 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.572 1.078 . . . . 0.0 111.354 176.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.43 -39.51 87.69 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.082 0.855 . . . . 0.0 110.557 172.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.11 80.6 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.927 1.239 . . . . 0.0 113.201 172.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 12.1 p -68.38 -40.83 81.27 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.875 1.216 . . . . 0.0 112.555 171.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 78.8 t -55.13 -50.45 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 171.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 47.3 t -50.65 -62.07 1.82 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.433 1.093 . . . . 0.0 112.325 171.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 51.6 m -47.37 -34.97 7.6 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.039 1.336 . . . . 0.0 113.465 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 90.6 t -83.74 -45.2 18.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 123.565 0.746 . . . . 0.0 111.825 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.96 -27.97 69.22 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 120.967 -1.083 . . . . 0.0 113.256 175.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 36.7 p -103.34 11.25 36.89 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 127.267 2.227 . . . . 0.0 112.507 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.478 0.96 0 C-N-CA 125.76 1.624 . . . . 0.0 113.074 -175.142 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.301 4.8 p . . . . . 0 N--CA 1.515 2.79 0 CA-C-O 116.828 -1.558 . . . . 0.0 113.741 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -1.25 88.77 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 128.505 2.722 . . . . 0.0 115.636 -170.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.38 161.87 18.85 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.873 178.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.0 148.81 94.67 Favored Pre-proline 0 N--CA 1.477 0.9 0 CA-C-O 118.397 -0.811 . . . . 0.0 109.065 163.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -52.61 -41.83 66.11 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.462 2.774 . . . . 0.0 115.619 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -70.02 -35.61 74.47 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.366 -0.834 . . . . 0.0 112.346 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.53 -44.43 74.61 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.592 -0.693 . . . . 0.0 111.551 172.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.99 -47.12 68.46 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.113 0.965 . . . . 0.0 111.149 170.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 25.2 t -57.82 -48.34 80.03 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.991 0.814 . . . . 0.0 111.13 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.08 -49.96 74.25 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 p -65.39 -52.05 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.719 1.145 . . . . 0.0 111.761 175.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -71.85 -35.76 69.96 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.074 0.852 . . . . 0.0 111.83 -164.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.61 94.08 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.648 0.658 . . . . 0.0 112.199 172.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 tt -72.87 -34.99 67.08 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.496 -0.753 . . . . 0.0 111.656 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 15' ' ' TRP . . . . . 0.48 ' CZ3' HD21 ' D' ' 114' ' ' LEU . 0.1 OUTLIER -63.58 -29.2 70.49 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 120.563 -1.335 . . . . 0.0 112.965 165.616 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.44 -41.22 98.11 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.32 0.962 . . . . 0.0 113.332 175.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -83.85 -18.13 38.58 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.81 138.02 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.706 0.765 . . . . 0.0 113.004 -172.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -83.65 72.25 10.33 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.69 1.196 . . . . 0.0 110.298 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 75.4 t -41.76 -48.97 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -164.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -49.67 75.02 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.952 1.301 . . . . 0.0 114.246 174.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -70.3 -55.18 9.83 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.101 0.561 . . . . 0.0 110.616 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.45 -37.39 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.607 1.163 . . . . 0.0 112.365 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.39 -42.71 27.07 Favored Glycine 0 C--N 1.339 0.729 0 C-N-CA 123.898 0.761 . . . . 0.0 111.386 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.6 -43.66 97.48 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 117.812 0.806 . . . . 0.0 112.629 170.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -43.74 87.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 118.044 0.922 . . . . 0.0 111.753 175.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.46 -50.41 59.28 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 120.636 -1.29 . . . . 0.0 112.967 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -62.19 -46.68 87.84 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 175.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.82 -45.29 80.25 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 124.562 1.077 . . . . 0.0 113.581 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 30' ' ' ARG . . . . . 0.439 ' HD2' ' SD ' ' D' ' 55' ' ' MET . 3.7 mpt_? -65.83 -44.04 86.75 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.376 1.588 . . . . 0.0 111.834 174.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.84 -47.48 64.38 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 120.144 1.338 . . . . 0.0 110.768 170.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . 0.485 HD21 ' HG1' ' D' ' 38' ' ' THR . 59.5 mt -61.27 2.5 0.14 Allowed 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -178.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 m -135.91 -28.08 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.784 1.633 . . . . 0.0 114.113 177.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -24.01 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 CA-C-N 121.547 1.976 . . . . 0.0 111.287 165.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -128.32 68.23 76.74 Favored Pre-proline 0 CA--C 1.53 0.177 0 C-N-CA 124.11 0.964 . . . . 0.0 109.764 -169.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -61.55 -19.04 63.14 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 124.009 3.14 . . . . 0.0 114.766 -163.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -32.15 49.16 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.181 -0.95 . . . . 0.0 113.269 167.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 38' ' ' THR . . . . . 0.485 ' HG1' HD21 ' D' ' 32' ' ' LEU . 81.1 p -59.27 -10.54 3.06 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 172.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -50.94 -34.68 29.74 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 117.251 -1.357 . . . . 0.0 113.859 173.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -38.32 64.16 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 122.204 2.275 . . . . 0.0 113.465 -173.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -72.87 -6.81 47.54 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.736 1.214 . . . . 0.0 113.431 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -16.57 13.42 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 172.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -50.66 -25.63 4.49 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 166.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -106.45 -28.84 10.07 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.858 1.263 . . . . 0.0 112.997 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -79.28 -17.06 55.42 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.338 0.972 . . . . 0.0 113.613 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.65 -176.46 20.03 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.051 0.834 . . . . 0.0 112.98 -169.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 27.56 -96.7 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.975 2.51 . . . . 0.0 115.271 173.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 tt 54.06 -16.34 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 128.82 2.848 . . . . 0.0 117.692 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 6.1 t -59.09 -14.93 11.45 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.998 2.119 . . . . 0.0 115.254 -170.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 50' ' ' THR . . . . . 0.609 ' HG1' ' H ' ' D' ' 53' ' ' ALA . 18.5 p -130.0 155.2 81.01 Favored Pre-proline 0 N--CA 1.475 0.793 0 C-N-CA 124.399 1.08 . . . . 0.0 111.664 169.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -41.78 -52.93 3.62 Favored 'Trans proline' 0 CA--C 1.535 0.535 0 C-N-CA 124.791 3.661 . . . . 0.0 116.081 165.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.92 -34.88 77.46 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.939 0.496 . . . . 0.0 112.097 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 53' ' ' ALA . . . . . 0.609 ' H ' ' HG1' ' D' ' 50' ' ' THR . . . -60.51 -55.76 29.5 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.138 0.426 . . . . 0.0 111.007 172.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.55 -31.19 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -173.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 55' ' ' MET . . . . . 0.439 ' SD ' ' HD2' ' D' ' 30' ' ' ARG . 2.5 tpp -76.44 -35.11 58.68 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 175.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.02 -35.29 54.1 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-N 118.337 0.517 . . . . 0.0 113.527 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -51.84 116.49 8.18 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.149 1.38 . . . . 0.0 114.136 -168.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -64.47 -28.08 62.22 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.685 2.257 . . . . 0.0 113.217 -174.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -71.1 -31.46 67.82 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 121.181 -0.949 . . . . 0.0 113.03 174.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 97.9 t -65.32 -41.44 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 O-C-N 121.616 -0.677 . . . . 0.0 110.38 167.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 19.9 mtmm -61.32 -46.45 90.23 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 118.873 0.76 . . . . 0.0 112.561 171.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.26 -47.45 79.53 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.545 1.138 . . . . 0.0 113.274 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -60.21 -39.05 85.22 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.073 -1.017 . . . . 0.0 110.741 169.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -47.92 -52.56 16.24 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 126.011 1.767 . . . . 0.0 114.29 167.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -55.36 -45.37 76.5 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 118.022 0.911 . . . . 0.0 111.4 173.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 45.7 mttt -63.6 -53.16 55.95 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.28 1.032 . . . . 0.0 113.362 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 6.8 p -58.65 -48.26 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 120.066 1.303 . . . . 0.0 111.708 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tt -69.2 -39.5 78.61 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.71 -0.619 . . . . 0.0 111.242 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.02 -34.57 58.24 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.443 1.02 . . . . 0.0 112.909 176.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.01 88.92 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.11 0.955 . . . . 0.0 112.538 168.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 1.7 m-30 -59.05 -40.9 86.57 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.593 -1.317 . . . . 0.0 110.988 175.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m -67.6 -42.12 82.93 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.153 0.981 . . . . 0.0 112.858 175.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -58.81 -36.68 74.89 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.553 0.741 . . . . 0.0 111.513 170.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.28 -58.14 16.1 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 123.844 0.735 . . . . 0.0 111.567 168.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.7 mt -55.18 -30.42 59.85 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 118.601 1.201 . . . . 0.0 113.936 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.34 -23.27 40.69 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.104 1.361 . . . . 0.0 114.668 173.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -143.64 58.44 1.37 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.442 1.897 . . . . 0.0 112.373 -173.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 91.1 mt -68.35 -7.79 34.3 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.133 -0.979 . . . . 0.0 113.268 175.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -64.79 -27.54 68.96 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.606 1.562 . . . . 0.0 115.198 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.15 90.36 0.82 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.247 1.019 . . . . 0.0 112.707 170.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 15.9 mt -59.72 -40.5 88.23 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 121.03 -1.044 . . . . 0.0 112.711 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -57.76 -28.94 64.41 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.232 1.013 . . . . 0.0 112.632 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -92.05 -48.15 3.18 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 125.091 1.329 . . . . 0.0 113.241 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.6 t -64.93 -23.14 67.14 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 118.84 1.32 . . . . 0.0 112.663 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -110.73 15.99 21.63 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.745 1.218 . . . . 0.0 113.836 175.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.41 -44.62 72.51 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 121.072 1.76 . . . . 0.0 112.931 -177.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 17.3 p -63.03 -40.81 98.85 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.71 1.204 . . . . 0.0 112.608 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 21.0 mt -68.46 -39.49 81.42 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.721 -0.612 . . . . 0.0 111.597 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 89' ' ' SER . . . . . 0.427 ' HG ' ' HB3' ' D' ' 143' ' ' HIS . 8.5 t -61.46 -46.35 90.42 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 124.336 1.055 . . . . 0.0 110.869 175.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -58.02 -49.76 75.74 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.619 0.768 . . . . 0.0 112.36 171.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 tp -51.52 -56.43 13.43 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.291 -0.88 . . . . 0.0 111.321 173.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -74.59 20.69 0.12 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.532 1.533 . . . . 0.0 113.803 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 95.8 m -136.11 -74.23 0.44 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.722 1.609 . . . . 0.0 110.858 171.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.72 -29.11 70.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.953 1.701 . . . . 0.0 113.647 -176.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.33 -44.29 8.37 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.706 0.802 . . . . 0.0 111.534 170.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . 0.417 ' C ' ' H ' ' D' ' 98' ' ' VAL . 0.6 OUTLIER -153.98 76.1 1.05 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.02 1.328 . . . . 0.0 113.359 -173.645 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -53.86 33.19 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 129.666 3.186 . . . . 0.0 115.004 163.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 98' ' ' VAL . . . . . 0.5 HG12 HH21 ' A' ' 92' ' ' ARG . 14.1 t -55.57 143.6 8.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 127.558 2.343 . . . . 0.0 112.041 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.62 126.92 1.47 Allowed Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 124.998 1.319 . . . . 0.0 113.45 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.59 -25.7 34.37 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.444 2.096 . . . . 0.0 113.883 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -59.51 -39.63 84.47 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.917 1.689 . . . . 0.0 111.136 177.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -57.5 -25.89 60.48 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 176.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -72.57 -45.24 60.13 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.17 0.988 . . . . 0.0 109.86 174.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.17 -44.46 83.55 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.811 1.244 . . . . 0.0 110.572 172.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.24 -46.92 86.68 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.906 0.882 . . . . 0.0 111.485 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 3.4 tt -53.76 -45.57 70.67 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.389 0.995 . . . . 0.0 110.62 174.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -52.86 -55.3 24.19 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 123.377 0.513 . . . . 0.0 113.035 172.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -58.58 -36.45 73.99 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 177.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 88.2 t -67.32 -52.67 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 O-C-N 121.246 -0.909 . . . . 0.0 110.149 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 34.1 tp -54.99 -52.59 62.62 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 118.736 0.698 . . . . 0.0 111.536 -174.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 35.0 m -56.59 -34.68 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 176.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 7.6 t -69.21 -35.7 76.49 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.878 -0.513 . . . . 0.0 111.576 177.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 113' ' ' VAL . . . . . 0.437 HG11 ' CE2' ' C' ' 117' ' ' PHE . 0.7 OUTLIER -69.25 -36.79 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 121.161 -0.962 . . . . 0.0 111.929 175.827 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 114' ' ' LEU . . . . . 0.48 HD21 ' CZ3' ' D' ' 15' ' ' TRP . 3.7 mp -67.37 -38.47 84.82 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.946 0.793 . . . . 0.0 112.367 171.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.53 -24.5 32.29 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 169.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -53.22 6.89 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 169.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -26.46 65.15 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.008 0.822 . . . . 0.0 113.137 -174.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -133.87 23.52 3.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.991 1.316 . . . . 0.0 112.413 -170.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -46.0 -37.69 7.74 Favored Glycine 0 N--CA 1.479 1.519 0 C-N-CA 125.536 1.541 . . . . 0.0 116.646 -172.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -61.31 -30.6 70.6 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 125.215 1.406 . . . . 0.0 113.482 175.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -103.63 -11.55 17.61 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.695 1.998 . . . . 0.0 112.607 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -81.98 60.44 4.82 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.117 1.367 . . . . 0.0 112.735 -174.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 33.9 p -53.56 159.04 2.61 Favored Pre-proline 0 N--CA 1.478 0.954 0 C-N-CA 125.954 1.702 . . . . 0.0 113.349 -174.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -48.97 -49.99 13.83 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 121.89 1.727 . . . . 0.0 114.45 172.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -65.45 -22.98 58.57 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 CA-C-N 121.393 1.533 . . . . 0.0 115.197 175.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -41.24 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 121.656 2.026 . . . . 0.0 111.864 175.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -58.37 -47.01 85.22 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 118.935 0.789 . . . . 0.0 110.637 174.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.05 72.11 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.44 -50.72 58.07 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.566 0.746 . . . . 0.0 109.999 175.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -55.69 -49.47 72.88 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 171.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -60.03 -34.09 72.9 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 118.689 -0.672 . . . . 0.0 112.642 -176.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -68.28 -38.32 81.58 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 171.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.7 -43.84 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 CA-C-N 120.009 1.277 . . . . 0.0 110.549 171.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 45.6 t -84.2 -30.16 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -167.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.98 92.57 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.702 1.137 . . . . 0.0 110.899 163.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.8 -49.05 81.78 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 123.815 0.722 . . . . 0.0 113.257 171.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.06 -47.36 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 124.4 1.08 . . . . 0.0 111.81 175.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.25 89.87 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.253 0.933 . . . . 0.0 111.7 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -62.02 -39.11 91.14 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.761 -0.587 . . . . 0.0 112.145 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.22 83.07 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.516 0.727 . . . . 0.0 112.017 174.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.4 -24.84 66.54 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.885 -1.134 . . . . 0.0 112.797 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.78 -2.45 57.7 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 169.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 143' ' ' HIS . . . . . 0.427 ' HB3' ' HG ' ' D' ' 89' ' ' SER . 56.0 t60 -57.84 -38.9 76.48 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 119.666 -1.896 . . . . 0.0 113.56 -175.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -69.14 6.12 1.04 Allowed 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 174.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -73.09 9.96 1.07 Allowed 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 120.173 1.351 . . . . 0.0 112.785 171.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.366 0 C-N-CA 127.182 2.193 . . . . 0.0 114.517 174.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.175 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.55 -163.35 1.4 Allowed 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 121.459 1.936 . . . . 0.0 113.844 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 p -97.31 168.49 10.1 Favored Pre-proline 0 N--CA 1.481 1.115 0 C-N-CA 126.161 1.784 . . . . 0.0 112.566 -173.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -66.89 -46.62 3.17 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.733 2.288 . . . . 0.0 112.771 174.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.31 -33.6 74.62 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.157 0.583 . . . . 0.0 112.564 -172.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.77 -41.07 96.16 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-O 118.44 -0.791 . . . . 0.0 112.181 179.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -57.85 -46.84 84.2 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.756 0.707 . . . . 0.0 110.013 175.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.9 m -54.42 -47.36 72.91 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.778 0.717 . . . . 0.0 111.516 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -71.55 -33.74 69.4 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.24 -50.17 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.654 1.181 . . . . 0.0 111.147 172.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.31 -44.58 96.97 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.604 1.162 . . . . 0.0 111.271 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.23 -51.01 71.07 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.452 0.701 . . . . 0.0 111.429 176.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.21 -55.62 32.66 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.159 0.584 . . . . 0.0 111.636 174.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -62.17 -26.55 68.4 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -175.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.44 -40.98 98.19 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.689 1.138 . . . . 0.0 113.631 171.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -70.76 -38.02 73.43 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 118.462 1.131 . . . . 0.0 111.295 171.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.5 t -57.95 -50.81 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.087 0.955 . . . . 0.0 110.767 177.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.11 -128.05 3.43 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.442 1.02 . . . . 0.0 114.39 175.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.49 -23.92 64.89 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -69.78 -10.8 59.76 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.78 -45.7 29.65 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.336 0.971 . . . . 0.0 112.805 178.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.55 -41.92 95.92 Favored Glycine 0 C--N 1.338 0.687 0 CA-C-O 119.449 -0.639 . . . . 0.0 113.684 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -65.4 -39.38 92.13 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.008 0.904 . . . . 0.0 111.094 176.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -64.87 -39.8 94.12 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.364 -0.835 . . . . 0.0 112.58 174.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.63 -50.99 61.48 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 119.29 0.95 . . . . 0.0 112.518 169.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.88 -51.82 59.73 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.315 1.046 . . . . 0.0 112.025 177.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.418 ' HB3' HH12 ' A' ' 31' ' ' ARG . 0.4 OUTLIER -66.03 -36.12 82.41 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.812 0.845 . . . . 0.0 112.96 176.657 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.99 -41.07 97.63 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.69 1.132 . . . . 0.0 112.106 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.509 HD12 ' HD1' ' A' ' 58' ' ' HIS . 11.3 mt -66.76 -48.85 67.81 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.327 1.051 . . . . 0.0 111.595 178.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -62.46 -39.97 95.1 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.243 0.544 . . . . 0.0 110.742 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.418 HH12 ' HB3' ' A' ' 27' ' ' GLU . 34.2 ttm105 -64.07 -44.5 92.2 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.009 0.924 . . . . 0.0 112.053 173.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 46.2 ttp -55.44 -47.14 76.48 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.338 0.972 . . . . 0.0 111.638 171.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -53.0 -53.84 44.04 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.915 0.78 . . . . 0.0 112.291 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.1 mt -67.98 -39.57 83.27 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 120.497 0.189 . . . . 0.0 111.256 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -76.85 -30.75 56.43 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.763 1.225 . . . . 0.0 113.034 -174.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.11 78.19 65.5 Favored Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 126.184 1.794 . . . . 0.0 109.415 177.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -46.78 -31.33 10.55 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 123.992 3.128 . . . . 0.0 114.637 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.9 -38.78 7.85 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.203 1.801 . . . . 0.0 113.737 172.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 t -57.97 -32.44 67.86 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 119.378 0.99 . . . . 0.0 113.333 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -54.7 -30.63 56.37 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.811 1.244 . . . . 0.0 112.19 176.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 t -59.68 -20.47 56.46 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -60.65 -18.82 55.91 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.376 0.989 . . . . 0.0 111.939 174.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 34.09 55.44 1.68 Allowed Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 126.668 1.987 . . . . 0.0 111.86 -175.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -74.46 1.65 7.18 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 123.088 2.525 . . . . 0.0 114.323 -165.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.269 0.3 OUTLIER 105.07 -1.38 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.36 1 C-N-CA 132.271 4.229 . . . . 0.0 112.838 179.914 . . . . . . . . 4 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.43 163.66 22.78 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -128.16 134.26 49.05 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.821 2.048 . . . . 0.0 108.431 168.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.6 mt -116.14 37.43 3.69 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.371 1.468 . . . . 0.0 110.343 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.2 p -66.02 16.57 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 129.142 2.977 . . . . 0.0 116.107 -176.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 68.47 128.51 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 128.973 2.909 . . . . 0.0 113.617 -174.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.85 25.75 69.45 Favored Glycine 0 CA--C 1.54 1.648 0 O-C-N 121.338 -0.851 . . . . 0.0 114.681 -175.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -52.49 131.16 33.46 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.674 1.59 . . . . 0.0 114.231 -171.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.94 -22.86 64.82 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.974 1.31 . . . . 0.0 113.577 172.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -85.75 -39.49 17.11 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.374 0.669 . . . . 0.0 111.448 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.94 -38.03 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.149 -0.969 . . . . 0.0 112.042 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -64.04 -38.85 92.59 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 119.598 1.09 . . . . 0.0 113.622 173.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.71 -47.26 41.62 Favored Glycine 0 N--CA 1.473 1.131 0 C-N-CA 123.973 0.797 . . . . 0.0 111.861 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.509 ' HD1' HD12 ' A' ' 29' ' ' LEU . 47.0 t-80 -60.98 -41.68 96.9 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 122.049 -0.677 . . . . 0.0 112.318 173.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.72 -50.58 48.83 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 121.387 -0.821 . . . . 0.0 112.653 170.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -56.08 -42.85 77.35 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 118.247 1.024 . . . . 0.0 113.507 171.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.66 -53.04 60.49 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.308 -0.87 . . . . 0.0 112.57 174.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.8 t -54.37 -43.72 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 119.244 0.929 . . . . 0.0 110.782 175.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.41 -50.18 74.93 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.807 1.039 . . . . 0.0 113.807 174.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.49 -38.0 82.89 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.753 1.161 . . . . 0.0 112.379 176.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.49 -35.31 80.52 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.376 -0.827 . . . . 0.0 113.172 170.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.73 -42.81 90.58 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.46 -0.775 . . . . 0.0 111.452 170.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 49.1 m -58.0 -43.68 86.76 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.885 1.22 . . . . 0.0 111.981 171.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -55.64 -49.01 74.02 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.334 1.054 . . . . 0.0 110.664 171.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.412 ' HB1' HG22 ' A' ' 132' ' ' VAL . . . -60.47 -39.02 86.1 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 175.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.23 -45.37 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 119.928 1.24 . . . . 0.0 111.189 173.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.23 -24.5 67.36 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.142 1.377 . . . . 0.0 113.478 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -132.86 35.16 3.57 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.282 1.433 . . . . 0.0 111.359 -171.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.22 -13.39 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -165.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -120.42 8.36 10.77 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.171 1.388 . . . . 0.0 113.87 169.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -129.41 -2.02 4.96 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.97 2.108 . . . . 0.0 112.524 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -68.94 -13.06 0.24 Allowed Pre-proline 0 CA--C 1.544 0.744 0 N-CA-C 118.165 2.654 . . . . 0.0 118.165 176.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -42.94 -26.59 0.73 Allowed 'Trans proline' 0 C--N 1.362 1.278 0 C-N-CA 124.087 3.191 . . . . 0.0 117.42 176.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.3 p30 -119.66 -12.56 9.25 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 169.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.16 -14.77 61.9 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.525 -1.359 . . . . 0.0 114.188 177.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 69.1 mt -107.85 7.57 28.22 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.815 1.246 . . . . 0.0 112.714 173.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.3 m -56.57 -39.43 73.46 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.024 1.283 . . . . 0.0 114.248 -175.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.13 -28.53 66.63 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.83 0.741 . . . . 0.0 112.92 174.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.21 -42.78 14.38 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.345 1.058 . . . . 0.0 110.435 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.6 t -53.97 -46.47 71.65 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.704 0.402 . . . . 0.0 111.332 169.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -53.96 -52.0 62.09 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.482 1.113 . . . . 0.0 112.094 170.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.1 tp -58.17 -25.28 61.33 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 177.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -95.65 -29.11 14.48 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.993 0.917 . . . . 0.0 112.877 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.91 -36.41 8.65 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.963 1.305 . . . . 0.0 113.621 -174.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -103.35 -10.04 18.97 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.878 1.671 . . . . 0.0 112.648 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -132.34 155.6 48.1 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 127.458 2.303 . . . . 0.0 108.989 171.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 mt 58.32 -20.35 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 128.194 2.598 . . . . 0.0 117.604 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.5 mmt-85 52.1 44.72 29.36 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 128.874 2.87 . . . . 0.0 111.825 -172.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 71.3 t -57.94 107.01 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.5 1.52 . . . . 0.0 109.784 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.66 139.26 37.88 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-O 119.04 -0.505 . . . . 0.0 110.889 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -44.9 -31.77 5.65 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 124.557 3.505 . . . . 0.0 116.896 -176.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.0 p -50.03 -41.7 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 120.357 1.435 . . . . 0.0 112.56 175.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -63.58 -31.4 72.55 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 121.128 -0.982 . . . . 0.0 112.191 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -49.64 77.1 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 119.339 0.972 . . . . 0.0 109.276 171.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -57.29 -43.66 83.36 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.89 0.852 . . . . 0.0 110.133 -177.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.25 -49.64 77.07 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.28 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -38.2 72.94 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.242 -0.911 . . . . 0.0 112.402 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 95.0 p -67.93 -42.31 81.23 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.926 1.239 . . . . 0.0 112.138 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -61.06 -40.79 95.01 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.522 -0.736 . . . . 0.0 110.438 169.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 92.6 m -67.44 -20.99 65.57 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 173.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 34.3 mt -76.21 -50.62 13.99 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.939 1.245 . . . . 0.0 111.273 167.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.1 mt -48.67 -44.52 37.83 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.781 0.719 . . . . 0.0 111.184 174.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.2 t -49.42 -53.09 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.527 1.531 . . . . 0.0 114.173 167.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.08 -36.75 77.95 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 120.194 1.361 . . . . 0.0 113.012 -179.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.1 mt -61.89 -46.89 87.4 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 118.779 0.718 . . . . 0.0 109.183 173.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.87 -31.26 68.4 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 176.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.75 -9.65 55.32 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -129.26 -31.99 2.04 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -174.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.86 149.99 39.95 Favored Pre-proline 0 CA--C 1.556 1.208 0 CA-C-N 119.066 0.848 . . . . 0.0 110.997 -176.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -45.33 -51.5 7.78 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 125.103 3.868 . . . . 0.0 117.325 -163.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -148.84 39.2 0.85 Allowed 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 125.176 1.39 . . . . 0.0 110.374 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -38.92 -38.26 0.42 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.239 2.216 . . . . 0.0 115.53 -168.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.21 8.62 0.06 Allowed 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 174.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.97 157.27 2.18 Favored Pre-proline 0 N--CA 1.485 1.309 0 CA-C-N 120.576 1.534 . . . . 0.0 112.244 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -49.3 -57.0 2.62 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.05 1.833 . . . . 0.0 114.367 166.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.48 -33.79 76.77 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -176.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.5 t -89.56 -46.61 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 O-C-N 121.197 -0.939 . . . . 0.0 110.811 -174.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -67.19 -41.92 85.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 117.723 -1.132 . . . . 0.0 112.874 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.03 -56.73 18.22 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 119.85 1.204 . . . . 0.0 110.007 173.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.8 m -55.05 -41.68 71.76 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.522 1.129 . . . . 0.0 113.676 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.6 mt -73.75 -41.61 62.24 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 119.087 0.858 . . . . 0.0 113.179 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -62.25 -49.89 73.9 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.866 1.212 . . . . 0.0 110.888 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -31.68 72.93 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 174.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -62.06 -55.65 26.94 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 117.876 -1.059 . . . . 0.0 111.606 169.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 32.4 mt -60.55 -31.5 70.6 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.828 1.195 . . . . 0.0 112.038 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.23 86.87 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 168.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.4 t -69.12 -43.31 74.67 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.045 -1.66 . . . . 0.0 112.337 169.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.412 HG22 ' HB1' ' A' ' 69' ' ' ALA . 59.2 t -51.4 -51.22 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 173.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.4 p -63.18 -51.98 64.23 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 116.697 -1.621 . . . . 0.0 112.733 178.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 21.7 m -48.46 -35.65 13.4 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 121.016 1.735 . . . . 0.0 112.194 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 66.8 t -77.37 -47.58 26.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 123.5 0.72 . . . . 0.0 112.179 173.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -8.28 5.47 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.494 1.518 . . . . 0.0 114.293 172.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 34.6 p -126.8 17.16 7.41 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.789 2.436 . . . . 0.0 111.263 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 126.837 2.055 . . . . 0.0 112.934 169.743 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.332 3.2 p . . . . . 0 N--CA 1.515 2.81 0 CA-C-O 116.794 -1.574 . . . . 0.0 113.126 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 20.03 77.22 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 127.877 2.471 . . . . 0.0 115.434 -174.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.66 157.53 26.97 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.154 0.582 . . . . 0.0 110.506 -179.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.53 150.59 89.83 Favored Pre-proline 0 N--CA 1.482 1.148 0 CA-C-O 118.146 -0.93 . . . . 0.0 109.108 169.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -53.76 -39.36 84.09 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.526 2.151 . . . . 0.0 114.625 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.05 -46.1 79.03 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.418 0.687 . . . . 0.0 111.831 174.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.46 -43.9 79.93 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.527 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -52.62 -53.69 43.44 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.077 1.351 . . . . 0.0 110.756 168.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t -54.3 -45.71 72.61 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.553 0.615 . . . . 0.0 111.18 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.39 -55.54 33.43 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 174.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.474 HG21 ' CZ ' ' B' ' 130' ' ' TYR . 3.3 p -60.35 -56.07 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.565 1.075 . . . . 0.0 111.269 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -66.92 -35.37 79.84 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.76 0.709 . . . . 0.0 112.745 -172.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.18 -37.85 86.61 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 120.008 1.276 . . . . 0.0 112.272 175.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -66.7 -35.59 80.49 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.434 -0.791 . . . . 0.0 110.944 171.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -31.64 72.87 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 168.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.97 -42.64 99.63 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.57 1.081 . . . . 0.0 113.58 177.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -82.73 -20.0 36.84 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.26 139.81 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.25 1.02 . . . . 0.0 113.261 -170.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.72 92.79 9.34 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 171.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 74.4 t -56.22 -31.94 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.68 0.792 . . . . 0.0 113.066 -172.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -72.23 -48.81 40.01 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.023 1.329 . . . . 0.0 113.57 174.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -82.52 -45.35 14.79 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.253 -0.904 . . . . 0.0 111.71 -175.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -30.34 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 119.062 0.846 . . . . 0.0 111.298 172.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.46 -44.44 27.23 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 119.092 0.86 . . . . 0.0 111.732 177.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.98 -45.65 94.87 Favored Glycine 0 C--N 1.337 0.618 0 CA-C-N 117.834 0.817 . . . . 0.0 112.112 170.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -66.43 -33.35 75.51 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.531 -0.982 . . . . 0.0 112.977 173.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.4 ' HA ' HG13 ' B' ' 113' ' ' VAL . . . -66.73 -57.27 7.44 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 121.206 1.821 . . . . 0.0 111.471 174.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 tp -68.06 -33.5 74.67 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 118.998 -0.525 . . . . 0.0 111.186 -176.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.01 -55.34 31.43 Favored Glycine 0 CA--C 1.525 0.676 0 CA-C-O 118.428 -1.207 . . . . 0.0 112.011 164.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.481 ' HA ' HG22 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -46.59 -37.71 8.51 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 119.455 1.628 . . . . 0.0 110.909 177.582 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.463 ' HA ' HG21 ' B' ' 109' ' ' VAL . 36.9 tp -47.88 -50.76 25.53 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.583 1.083 . . . . 0.0 111.424 175.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.51 -22.44 17.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 118.015 -0.993 . . . . 0.0 112.95 -173.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' B' ' 30' ' ' ARG . 3.7 m -56.09 -29.48 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 CA-C-N 119.75 1.159 . . . . 0.0 112.096 -177.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.467 HG21 HH11 ' B' ' 30' ' ' ARG . 0.2 OUTLIER -66.04 -2.97 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.823 1.649 . . . . 0.0 114.228 177.733 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 52.01 39.02 0.57 Allowed Pre-proline 0 CA--C 1.56 1.349 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -167.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -79.45 174.19 12.2 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.7 2.267 . . . . 0.0 112.149 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 12.1 p90 -55.36 -35.28 65.08 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.838 1.255 . . . . 0.0 113.773 170.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.43 -22.1 11.62 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.799 1.24 . . . . 0.0 114.148 170.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -56.77 -26.67 58.14 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.818 1.19 . . . . 0.0 113.055 172.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -54.83 -27.73 44.37 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.775 1.625 . . . . 0.0 113.174 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -86.94 7.97 25.17 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -52.15 -25.96 10.26 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 -177.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.39 -23.43 49.19 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.151 1.78 . . . . 0.0 113.614 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.7 p -60.55 -43.13 97.58 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.71 0.804 . . . . 0.0 112.125 170.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -74.64 -5.21 41.77 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.575 1.55 . . . . 0.0 113.967 -178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.18 22.24 49.28 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.552 1.549 . . . . 0.0 115.381 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -159.07 -125.52 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.532 1.133 . . . . 0.0 110.603 -163.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.7 tt 61.93 -6.41 0.13 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 128.308 2.643 . . . . 0.0 115.402 -174.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 3.1 m -46.26 -28.86 1.4 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.93 2.092 . . . . 0.0 116.102 -173.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 7.4 p -141.38 160.99 55.09 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.843 1.657 . . . . 0.0 111.736 168.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -58.79 -42.05 56.98 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.672 2.915 . . . . 0.0 114.931 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -65.38 -35.36 80.71 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.513 -0.742 . . . . 0.0 111.861 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.29 -49.5 73.77 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 118.699 -0.667 . . . . 0.0 112.105 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -59.41 -34.63 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-N 119.9 1.227 . . . . 0.0 113.481 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 32.3 ttm -82.28 -22.17 35.85 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.06 -19.59 23.46 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.7 1.143 . . . . 0.0 114.872 177.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -56.81 120.84 40.78 Favored Pre-proline 0 CA--C 1.545 0.752 0 C-N-CA 125.58 1.552 . . . . 0.0 113.248 -173.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -57.76 -31.09 91.29 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.64 2.227 . . . . 0.0 113.274 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -67.57 -38.0 83.44 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.578 1.081 . . . . 0.0 112.786 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.54 -37.73 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.377 170.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -64.26 -49.65 71.03 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 120.153 1.342 . . . . 0.0 112.081 173.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.94 -48.96 74.48 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.419 1.087 . . . . 0.0 112.733 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -36.13 82.55 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.873 -1.142 . . . . 0.0 111.006 172.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.23 -49.37 50.71 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 126.67 2.081 . . . . 0.0 113.523 168.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -58.12 -40.16 80.54 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.895 0.878 . . . . 0.0 112.062 172.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -66.24 -55.52 15.76 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.738 0.815 . . . . 0.0 112.473 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.81 -41.53 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 119.091 0.859 . . . . 0.0 112.226 176.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.6 tt -75.99 -40.06 54.57 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -53.09 -38.94 56.93 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.392 0.996 . . . . 0.0 112.32 173.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.22 74.63 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 117.487 0.643 . . . . 0.0 112.372 169.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -55.3 -40.38 71.02 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 120.179 -1.576 . . . . 0.0 113.181 173.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 14.4 m -64.61 -44.52 90.3 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.202 1.001 . . . . 0.0 113.142 173.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -57.7 -32.2 67.13 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.538 0.735 . . . . 0.0 111.934 171.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.28 -62.24 6.24 Favored Glycine 0 C--N 1.34 0.79 0 C-N-CA 124.107 0.86 . . . . 0.0 111.405 168.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 9.3 mt -54.21 -30.38 49.71 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.47 1.135 . . . . 0.0 113.698 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.06 -15.66 58.72 Favored 'General case' 0 CA--C 1.555 1.147 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 173.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -150.3 42.63 0.84 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.033 1.333 . . . . 0.0 113.326 -170.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.76 -14.99 57.42 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 120.165 -1.584 . . . . 0.0 114.71 -177.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -48.4 -42.0 30.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.946 1.299 . . . . 0.0 113.07 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -154.23 115.12 4.02 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.18 1.392 . . . . 0.0 109.826 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 66.6 mt -87.78 -33.11 18.76 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.207 0.603 . . . . 0.0 112.16 174.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -65.17 -15.58 62.58 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 120.423 -1.423 . . . . 0.0 113.251 -175.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.83 -46.91 2.8 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.402 1.477 . . . . 0.0 113.76 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.6 p -72.25 -24.39 61.36 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 118.871 1.336 . . . . 0.0 113.801 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -105.69 6.78 32.23 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.877 0.871 . . . . 0.0 112.882 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.72 80.0 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 120.665 1.575 . . . . 0.0 114.304 -176.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 16.5 p -65.33 -36.73 84.92 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.234 -0.917 . . . . 0.0 111.96 172.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 21.3 mt -74.99 -34.98 62.05 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 118.071 -0.966 . . . . 0.0 112.697 177.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 55.1 p -70.45 -36.11 73.74 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 120.456 1.48 . . . . 0.0 111.366 175.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.1 -53.37 59.17 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.861 0.865 . . . . 0.0 112.145 165.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 48.8 tp -52.99 -51.81 60.41 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.445 -0.784 . . . . 0.0 111.152 175.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -78.58 19.45 0.49 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.283 1.433 . . . . 0.0 114.074 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 52.7 t -136.43 -88.51 0.3 Allowed 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 174.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.66 -21.57 1.08 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.256 2.222 . . . . 0.0 116.341 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.65 -35.92 5.63 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.602 1.161 . . . . 0.0 113.223 169.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 4.2 mt -139.97 52.73 1.68 Allowed 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 125.936 1.694 . . . . 0.0 112.558 -168.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -58.33 29.38 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.673 0 C-N-CA 127.349 2.26 . . . . 0.0 114.935 172.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 8.6 p -46.25 142.5 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 O-C-N 118.945 -2.347 . . . . 0.0 111.005 173.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -59.03 129.96 86.32 Favored Pre-proline 0 CA--C 1.551 1.016 0 O-C-N 120.816 -1.177 . . . . 0.0 111.991 -172.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -51.19 -28.09 24.69 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 124.019 3.146 . . . . 0.0 116.75 -169.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.5 -30.08 39.53 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.058 -1.026 . . . . 0.0 113.102 171.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . 0.432 ' N ' HD21 ' B' ' 102' ' ' ASN . 0.8 OUTLIER -63.89 -39.96 95.41 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.037 -1.039 . . . . 0.0 111.275 175.776 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -62.35 -47.37 84.5 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.499 1.045 . . . . 0.0 111.193 173.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -57.02 -43.7 82.11 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.221 1.009 . . . . 0.0 112.164 174.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mp -59.51 -52.02 67.34 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.811 0.844 . . . . 0.0 111.612 172.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.82 -33.68 68.85 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.393 0.997 . . . . 0.0 111.817 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' GLY . . . . . 0.443 ' HA2' HG13 ' B' ' 134' ' ' VAL . . . -66.47 -47.91 66.74 Favored Glycine 0 CA--C 1.524 0.622 0 O-C-N 120.959 -1.088 . . . . 0.0 114.647 173.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.27 -33.83 76.35 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.867 1.318 . . . . 0.0 111.965 173.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.463 HG21 ' HA ' ' B' ' 31' ' ' LEU . 3.0 t -62.49 -47.47 92.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 125.56 1.544 . . . . 0.0 112.395 175.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 21.4 tp -52.66 -56.81 12.79 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 124.103 0.877 . . . . 0.0 110.324 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 19.2 m -55.99 -44.37 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 118.326 0.512 . . . . 0.0 111.897 -174.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 50.5 t -60.42 -44.46 95.73 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.03 -1.044 . . . . 0.0 113.452 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . 0.4 HG13 ' HA ' ' B' ' 27' ' ' ALA . 3.1 p -61.86 -34.67 63.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 120.528 1.513 . . . . 0.0 111.539 175.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 mt -65.07 -39.81 93.77 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 120.103 1.32 . . . . 0.0 110.299 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.28 77.77 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 174.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -61.84 -61.16 2.69 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.473 0.579 . . . . 0.0 110.46 168.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -72.98 -20.53 61.01 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -166.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -129.85 39.58 3.68 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.081 1.752 . . . . 0.0 111.588 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.81 -20.41 8.04 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 125.185 1.374 . . . . 0.0 116.203 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.44 -25.35 64.97 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 168.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -135.13 11.29 3.57 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.862 1.265 . . . . 0.0 114.096 -173.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.07 29.85 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 128.278 2.631 . . . . 0.0 117.194 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.544 ' HG1' ' H ' ' B' ' 126' ' ' VAL . 30.1 p -46.15 148.62 1.47 Allowed Pre-proline 0 N--CA 1.483 1.219 0 C-N-CA 125.265 1.426 . . . . 0.0 113.879 -165.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -45.35 -44.97 15.91 Favored 'Trans proline' 0 CA--C 1.544 0.992 0 C-N-CA 122.304 2.003 . . . . 0.0 114.533 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -64.11 -38.47 36.45 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.02 1.814 . . . . 0.0 114.605 172.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . 0.544 ' H ' ' HG1' ' B' ' 123' ' ' THR . 0.5 OUTLIER -62.33 -44.37 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 121.369 1.895 . . . . 0.0 111.846 -177.156 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -66.52 -41.95 88.01 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.92 -0.488 . . . . 0.0 110.773 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.81 97.64 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.724 0.81 . . . . 0.0 113.148 172.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.51 -49.85 75.92 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.23 1.012 . . . . 0.0 110.561 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.474 ' CZ ' HG21 ' B' ' 11' ' ' VAL . 34.1 m-85 -51.07 -49.66 60.19 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.824 -0.547 . . . . 0.0 112.184 167.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -34.44 74.89 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 117.657 -1.163 . . . . 0.0 113.21 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -68.16 -41.92 80.85 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 121.826 2.103 . . . . 0.0 113.643 176.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 2.2 p -63.49 -44.97 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 CA-C-N 120.239 1.382 . . . . 0.0 110.75 171.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . 0.443 HG13 ' HA2' ' B' ' 107' ' ' GLY . 69.8 t -69.1 -31.65 51.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -177.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.38 84.68 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 120.393 1.451 . . . . 0.0 111.055 172.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.67 -43.15 94.51 Favored Glycine 0 C--N 1.342 0.875 0 N-CA-C 112.187 -0.365 . . . . 0.0 112.187 169.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.82 -43.35 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.125 0.97 . . . . 0.0 113.286 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.75 -43.44 96.44 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.836 0.744 . . . . 0.0 110.418 176.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -66.3 -32.11 73.32 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.166 0.586 . . . . 0.0 112.405 173.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.84 -44.35 85.78 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 120.422 -1.424 . . . . 0.0 111.84 171.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 6.9 mt -65.77 -41.77 91.63 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.16 -0.963 . . . . 0.0 112.0 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.76 -13.63 62.52 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 172.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -54.14 -42.61 69.74 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.241 1.382 . . . . 0.0 112.271 -174.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -61.16 -15.05 29.59 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.8 1.64 . . . . 0.0 114.511 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 CA--C 1.548 0.877 0 C-N-CA 124.603 1.161 . . . . 0.0 111.723 177.285 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.24 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.52 -163.39 1.4 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 119.521 -1.987 . . . . 0.0 113.975 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.6 p -97.27 168.56 10.0 Favored Pre-proline 0 N--CA 1.48 1.061 0 C-N-CA 126.192 1.797 . . . . 0.0 112.585 -173.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -66.99 -46.71 2.94 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.805 2.337 . . . . 0.0 112.749 174.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.29 -33.44 74.35 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.168 0.587 . . . . 0.0 112.576 -172.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -41.0 95.92 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.192 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -57.74 -46.95 83.77 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.751 0.705 . . . . 0.0 110.03 175.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 88.3 m -54.37 -47.33 72.76 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.671 0.669 . . . . 0.0 111.624 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -71.47 -34.02 69.83 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.552 -0.717 . . . . 0.0 112.767 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.08 -50.11 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.61 1.164 . . . . 0.0 111.239 172.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.35 -44.58 96.93 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.57 1.148 . . . . 0.0 111.284 175.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.35 -50.82 71.75 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.403 0.681 . . . . 0.0 111.492 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.15 -55.75 30.88 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.121 0.569 . . . . 0.0 111.707 173.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -61.98 -26.6 68.31 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -175.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.49 -40.99 98.14 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.696 1.141 . . . . 0.0 113.587 171.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -70.83 -38.04 73.23 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 118.456 1.128 . . . . 0.0 111.287 171.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 74.2 t -57.76 -50.86 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.08 0.952 . . . . 0.0 110.885 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.02 -128.06 3.34 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.46 1.029 . . . . 0.0 114.37 175.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.42 -23.95 64.79 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -69.82 -10.82 59.85 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.035 0.934 . . . . 0.0 113.48 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.79 -45.64 29.64 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.378 0.99 . . . . 0.0 112.889 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.61 -41.89 95.8 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-O 119.435 -0.647 . . . . 0.0 113.64 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -65.46 -39.28 91.82 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 117.984 0.892 . . . . 0.0 111.199 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -64.77 -39.98 94.51 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.346 -0.846 . . . . 0.0 112.587 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.47 -50.99 61.51 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 119.345 0.975 . . . . 0.0 112.635 169.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.87 -51.85 59.58 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.354 1.061 . . . . 0.0 111.961 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . 0.424 ' HB3' HH12 ' C' ' 31' ' ' ARG . 0.4 OUTLIER -66.02 -36.21 82.64 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 123.88 0.872 . . . . 0.0 112.931 176.649 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.03 97.31 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.718 1.145 . . . . 0.0 112.221 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . 0.516 HD13 ' HD1' ' C' ' 58' ' ' HIS . 11.2 mt -66.91 -48.88 67.31 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.357 1.063 . . . . 0.0 111.595 178.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -62.3 -40.04 94.99 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.413 0.625 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . 0.424 HH12 ' HB3' ' C' ' 27' ' ' GLU . 34.2 ttm105 -63.96 -44.63 92.2 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.102 0.961 . . . . 0.0 112.055 173.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 46.5 ttp -55.29 -47.2 75.9 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.257 0.935 . . . . 0.0 111.697 171.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -52.99 -53.83 44.22 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.914 0.779 . . . . 0.0 112.306 174.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 17.1 mt -68.04 -39.64 83.02 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.241 0.217 . . . . 0.0 111.237 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -76.87 -30.87 56.44 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.775 1.23 . . . . 0.0 112.975 -174.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -132.93 78.42 65.88 Favored Pre-proline 0 CA--C 1.544 0.728 0 C-N-CA 126.255 1.822 . . . . 0.0 109.337 177.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -46.93 -31.37 11.05 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 124.064 3.176 . . . . 0.0 114.615 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.86 -38.76 7.72 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.268 1.827 . . . . 0.0 113.664 172.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 3.1 t -57.88 -32.75 68.01 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 119.439 1.018 . . . . 0.0 113.185 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -54.56 -30.62 54.65 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.904 1.281 . . . . 0.0 112.264 176.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 1.9 t -59.78 -20.37 56.3 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -60.72 -18.71 56.09 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.111 0.868 . . . . 0.0 112.021 174.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 33.99 55.47 1.65 Allowed Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 126.585 1.954 . . . . 0.0 111.843 -175.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -74.38 1.46 7.34 Favored 'Trans proline' 0 CA--C 1.545 1.041 0 C-N-CA 123.138 2.559 . . . . 0.0 114.4 -165.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.266 0.3 OUTLIER 105.13 -1.33 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.266 1 C-N-CA 132.283 4.233 . . . . 0.0 112.811 179.837 . . . . . . . . 4 3 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.34 163.72 22.44 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -128.22 134.31 48.99 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.88 2.072 . . . . 0.0 108.478 168.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 69.2 mt -116.24 37.48 3.69 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.381 1.472 . . . . 0.0 110.307 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 46.3 p -66.12 16.58 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 129.262 3.025 . . . . 0.0 116.03 -176.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 68.47 128.53 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 128.977 2.911 . . . . 0.0 113.71 -174.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.83 25.78 69.46 Favored Glycine 0 CA--C 1.538 1.491 0 O-C-N 121.412 -0.805 . . . . 0.0 114.713 -175.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -52.61 131.43 34.37 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.639 1.576 . . . . 0.0 114.18 -171.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.16 -22.6 64.87 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.958 1.303 . . . . 0.0 113.564 172.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -86.1 -39.42 16.76 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.376 0.67 . . . . 0.0 111.461 176.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.96 -37.94 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 121.178 -0.951 . . . . 0.0 112.011 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -64.02 -38.8 92.4 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.519 1.054 . . . . 0.0 113.728 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.7 -47.26 41.71 Favored Glycine 0 N--CA 1.474 1.203 0 C-N-CA 123.984 0.802 . . . . 0.0 111.829 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . 0.516 ' HD1' HD13 ' C' ' 29' ' ' LEU . 47.2 t-80 -61.0 -41.61 96.86 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 122.048 -0.678 . . . . 0.0 112.3 173.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.79 -50.51 49.56 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 123.877 0.751 . . . . 0.0 112.79 170.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -56.21 -42.65 77.56 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.099 0.96 . . . . 0.0 113.575 171.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -53.04 60.44 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 118.952 0.797 . . . . 0.0 112.669 174.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 95.0 t -54.31 -43.74 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 119.179 0.9 . . . . 0.0 110.846 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.25 -50.48 73.86 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 174.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.25 -38.1 82.44 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.716 1.144 . . . . 0.0 112.442 176.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.23 -35.32 80.43 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 170.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.01 -42.66 89.43 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.538 -0.726 . . . . 0.0 111.434 170.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 50.9 m -58.09 -43.73 87.23 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.826 1.194 . . . . 0.0 111.876 171.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -55.66 -48.98 74.12 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.47 1.108 . . . . 0.0 110.591 171.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 69' ' ' ALA . . . . . 0.415 ' HB1' HG22 ' C' ' 132' ' ' VAL . . . -60.52 -39.26 87.18 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 90.0 t -65.84 -45.43 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 119.932 1.242 . . . . 0.0 111.325 173.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.48 67.38 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.064 1.346 . . . . 0.0 113.503 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -133.05 35.25 3.53 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 125.141 1.376 . . . . 0.0 111.341 -171.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.31 -13.29 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 115.918 1.822 . . . . 0.0 115.918 -165.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -120.44 8.47 10.77 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.137 1.375 . . . . 0.0 113.897 169.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -129.54 -2.08 4.89 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.057 2.143 . . . . 0.0 112.519 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 24.3 ptt? -68.98 -12.95 0.23 Allowed Pre-proline 0 CA--C 1.544 0.745 0 N-CA-C 118.207 2.669 . . . . 0.0 118.207 176.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -42.95 -26.69 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 124.199 3.266 . . . . 0.0 117.473 176.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -119.67 -12.43 9.27 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 169.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.43 -14.6 61.73 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.434 -1.416 . . . . 0.0 114.079 177.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 69.0 mt -107.86 7.32 28.06 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.882 1.273 . . . . 0.0 112.756 173.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 34.6 m -56.54 -39.13 72.87 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.982 1.265 . . . . 0.0 114.395 -175.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.29 -28.6 66.92 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.817 0.735 . . . . 0.0 112.897 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 9.0 mt -85.08 -42.77 14.5 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.375 1.07 . . . . 0.0 110.448 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 21.7 t -53.94 -46.42 71.56 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.746 0.418 . . . . 0.0 111.309 169.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -54.12 -51.99 62.47 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.458 1.103 . . . . 0.0 111.922 170.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 61.9 tp -58.29 -24.65 60.21 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -96.25 -29.12 14.2 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.111 0.964 . . . . 0.0 112.846 -178.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -102.09 -36.42 8.57 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.07 1.348 . . . . 0.0 113.667 -174.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -103.4 -9.97 18.98 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.812 1.645 . . . . 0.0 112.716 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -132.46 155.49 48.45 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.434 2.294 . . . . 0.0 108.892 171.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 mt 58.41 -20.36 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 128.095 2.558 . . . . 0.0 117.668 173.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 4.4 mmt-85 52.16 44.52 29.59 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 128.747 2.819 . . . . 0.0 111.856 -173.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 70.8 t -57.78 106.96 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.511 1.524 . . . . 0.0 109.743 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.51 139.29 38.32 Favored Pre-proline 0 CA--C 1.546 0.804 0 CA-C-O 119.06 -0.495 . . . . 0.0 110.832 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.96 -31.77 5.75 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.602 3.535 . . . . 0.0 116.939 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.97 -41.86 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 120.23 1.377 . . . . 0.0 112.547 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -63.36 -31.7 72.92 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 121.134 -0.979 . . . . 0.0 112.187 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -58.73 -49.54 77.24 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 118.251 -0.88 . . . . 0.0 109.387 171.436 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -57.29 -43.72 83.42 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.937 0.875 . . . . 0.0 110.277 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 89.7 mt -59.21 -49.78 76.53 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.253 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -38.02 72.94 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.263 -0.898 . . . . 0.0 112.523 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 94.7 p -68.11 -42.21 80.59 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.964 1.257 . . . . 0.0 112.13 -175.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -61.18 -40.75 95.1 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.631 -0.668 . . . . 0.0 110.388 169.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 93.8 m -67.51 -20.85 65.49 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 173.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 35.0 mt -76.27 -50.56 14.07 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.073 1.306 . . . . 0.0 111.372 167.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 10.2 mt -48.64 -44.59 37.54 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.825 0.739 . . . . 0.0 111.143 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 4.3 t -49.53 -52.98 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.4 1.48 . . . . 0.0 114.19 167.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.01 -36.79 78.18 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.366 1.439 . . . . 0.0 112.947 -179.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.1 mt -62.04 -46.65 88.23 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.82 0.736 . . . . 0.0 109.237 173.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.99 -31.32 68.68 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 176.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.53 -9.76 55.26 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.321 1.601 . . . . 0.0 115.321 176.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -129.2 -32.11 2.04 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -174.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.72 149.92 40.0 Favored Pre-proline 0 CA--C 1.555 1.156 0 CA-C-N 119.064 0.847 . . . . 0.0 111.002 -176.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -45.35 -51.41 7.89 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 125.153 3.902 . . . . 0.0 117.214 -163.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.07 39.38 0.84 Allowed 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 125.144 1.377 . . . . 0.0 110.265 177.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -39.02 -38.24 0.43 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 127.244 2.218 . . . . 0.0 115.542 -168.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.09 8.53 0.06 Allowed 'General case' 0 CA--C 1.558 1.261 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 174.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.85 157.28 2.08 Favored Pre-proline 0 N--CA 1.486 1.359 0 CA-C-N 120.48 1.491 . . . . 0.0 112.125 -179.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -49.35 -56.96 2.65 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.172 1.915 . . . . 0.0 114.284 166.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.57 -33.75 76.64 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -176.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 62.3 t -89.72 -46.43 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.238 -0.914 . . . . 0.0 110.83 -174.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -67.3 -41.88 84.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 117.666 -1.159 . . . . 0.0 112.803 178.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.05 -56.78 17.59 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.873 1.215 . . . . 0.0 109.925 173.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 42.4 m -55.05 -41.6 71.64 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 124.453 1.101 . . . . 0.0 113.815 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 39.4 mt -73.8 -41.42 62.39 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 176.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -62.5 -49.77 74.05 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.878 1.217 . . . . 0.0 110.776 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -31.66 72.9 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 174.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -62.09 -55.7 26.31 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 117.964 -1.017 . . . . 0.0 111.645 169.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 32.7 mt -60.34 -31.61 70.47 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.884 1.22 . . . . 0.0 112.133 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.65 -37.48 87.73 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 168.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 31.0 t -68.89 -43.3 75.55 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.089 -1.632 . . . . 0.0 112.399 169.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 132' ' ' VAL . . . . . 0.415 HG22 ' HB1' ' C' ' 69' ' ' ALA . 60.3 t -51.48 -51.15 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 173.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 26.3 p -63.05 -52.02 64.44 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 116.822 -1.561 . . . . 0.0 112.77 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 22.2 m -48.41 -35.74 13.32 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 121.031 1.741 . . . . 0.0 112.189 177.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 66.7 t -77.31 -47.67 26.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 123.632 0.773 . . . . 0.0 112.125 173.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -8.45 5.54 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.535 1.534 . . . . 0.0 114.287 172.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 34.9 p -126.74 17.03 7.46 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 127.881 2.473 . . . . 0.0 111.122 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 36.7 t . . . . . 0 N--CA 1.473 0.692 0 C-N-CA 126.881 2.072 . . . . 0.0 113.029 169.65 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.326 3.1 p . . . . . 0 N--CA 1.514 2.768 0 CA-C-O 116.667 -1.635 . . . . 0.0 113.112 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 19.85 77.39 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 127.889 2.475 . . . . 0.0 115.348 -174.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.77 157.38 27.71 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.161 0.584 . . . . 0.0 110.543 -179.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.53 150.6 89.8 Favored Pre-proline 0 N--CA 1.481 1.113 0 CA-C-O 118.092 -0.956 . . . . 0.0 109.181 169.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -53.69 -39.41 83.47 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.45 2.1 . . . . 0.0 114.664 175.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.97 -46.15 79.12 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.41 0.684 . . . . 0.0 111.77 174.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.42 -43.83 80.26 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 118.423 -0.798 . . . . 0.0 111.597 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -52.73 -53.51 46.82 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.058 1.343 . . . . 0.0 110.817 168.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 28.8 t -54.59 -45.55 73.62 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 118.6 0.636 . . . . 0.0 111.12 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.35 -55.58 32.94 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 174.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 11' ' ' VAL . . . . . 0.484 HG21 ' CZ ' ' D' ' 130' ' ' TYR . 3.4 p -60.38 -56.02 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 119.55 1.068 . . . . 0.0 111.135 -179.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -67.18 -35.19 79.12 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.458 -0.776 . . . . 0.0 112.654 -172.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.98 86.84 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 120.07 1.304 . . . . 0.0 112.277 175.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -66.53 -35.55 80.52 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.451 -0.781 . . . . 0.0 111.127 171.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -31.41 72.58 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 168.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.25 -42.67 99.25 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.55 1.071 . . . . 0.0 113.645 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -82.66 -19.86 37.37 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 176.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.21 139.73 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.386 1.074 . . . . 0.0 113.246 -170.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.73 92.68 9.3 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 107.589 -1.264 . . . . 0.0 107.589 171.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 75.6 t -56.3 -31.82 33.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 123.83 0.852 . . . . 0.0 112.93 -172.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -72.38 -48.57 40.54 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.95 1.3 . . . . 0.0 113.698 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -82.86 -45.2 14.54 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.305 -0.872 . . . . 0.0 111.638 -175.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.85 -30.34 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 119.2 0.909 . . . . 0.0 111.27 172.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.21 -44.58 28.33 Favored Glycine 0 C--N 1.342 0.866 0 CA-C-N 119.275 0.943 . . . . 0.0 111.715 177.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.12 -45.65 94.97 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 117.827 0.813 . . . . 0.0 112.097 170.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -66.52 -33.27 75.31 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 118.024 -0.989 . . . . 0.0 112.996 173.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.61 -57.29 7.52 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 121.332 1.878 . . . . 0.0 111.616 174.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 tp -68.12 -33.36 74.35 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 118.972 -0.537 . . . . 0.0 111.238 -176.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.09 -55.19 32.22 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.001 164.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 30' ' ' ARG . . . . . 0.466 ' HA ' HG23 ' D' ' 33' ' ' VAL . 0.0 OUTLIER -46.85 -37.57 8.98 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 119.464 1.632 . . . . 0.0 110.824 177.672 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . 0.457 ' HA ' HG21 ' D' ' 109' ' ' VAL . 36.6 tp -47.89 -50.64 25.99 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.686 1.13 . . . . 0.0 111.497 175.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.75 -22.5 16.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 118.053 -0.975 . . . . 0.0 112.944 -173.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 33' ' ' VAL . . . . . 0.466 HG23 ' HA ' ' D' ' 30' ' ' ARG . 3.6 m -56.02 -29.42 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 119.718 1.145 . . . . 0.0 112.101 -178.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 34' ' ' VAL . . . . . 0.465 HG21 HH11 ' D' ' 30' ' ' ARG . 0.2 OUTLIER -66.15 -2.86 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.658 1.583 . . . . 0.0 114.325 177.738 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 51.93 39.09 0.58 Allowed Pre-proline 0 CA--C 1.561 1.383 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -167.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -79.42 174.06 12.39 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.845 2.364 . . . . 0.0 112.265 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 12.2 p90 -55.33 -35.17 64.88 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.878 1.271 . . . . 0.0 113.85 170.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.39 -22.11 11.47 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.769 1.228 . . . . 0.0 114.215 169.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -56.98 -26.38 59.89 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.751 1.159 . . . . 0.0 113.101 173.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -54.92 -27.84 46.3 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 120.872 1.669 . . . . 0.0 113.174 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -86.89 8.08 24.53 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -52.32 -25.89 10.77 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.57 -23.25 49.58 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.014 1.725 . . . . 0.0 113.684 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 75.9 p -60.6 -43.04 97.86 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.666 0.787 . . . . 0.0 112.158 170.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -74.81 -5.06 41.38 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.424 1.49 . . . . 0.0 113.866 -178.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.18 22.17 49.08 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 125.609 1.576 . . . . 0.0 115.358 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -158.88 -125.4 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.591 1.156 . . . . 0.0 110.678 -163.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 7.7 tt 61.69 -6.36 0.13 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 128.169 2.588 . . . . 0.0 115.586 -174.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 3.1 m -46.31 -28.82 1.42 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.8 2.04 . . . . 0.0 116.118 -173.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 7.2 p -141.38 161.0 55.07 Favored Pre-proline 0 N--CA 1.477 0.881 0 C-N-CA 125.69 1.596 . . . . 0.0 111.65 168.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -58.77 -42.09 56.71 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.6 2.867 . . . . 0.0 114.923 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.19 -35.39 80.94 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.523 -0.736 . . . . 0.0 112.052 175.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.32 -49.47 73.81 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 118.784 -0.627 . . . . 0.0 112.066 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -59.57 -34.51 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 119.914 1.234 . . . . 0.0 113.454 -177.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 32.2 ttm -82.25 -22.14 35.94 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.26 -19.43 23.49 Favored Glycine 0 CA--C 1.54 1.609 0 C-N-CA 124.55 1.071 . . . . 0.0 114.754 177.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -56.9 120.79 40.8 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 125.579 1.552 . . . . 0.0 113.304 -173.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -57.49 -31.37 91.24 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.827 2.352 . . . . 0.0 113.226 177.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 25.8 tttp -67.57 -37.99 83.45 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.615 1.098 . . . . 0.0 112.794 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 79.5 t -68.49 -37.81 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 CA-C-O 118.356 -0.831 . . . . 0.0 111.348 170.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -64.31 -49.64 70.95 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 120.156 1.344 . . . . 0.0 112.078 173.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.96 -48.9 74.65 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.356 1.062 . . . . 0.0 112.803 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.97 -36.11 82.42 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.772 -1.205 . . . . 0.0 111.027 172.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.2 -49.48 50.1 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 126.896 2.189 . . . . 0.0 113.581 168.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -58.14 -40.19 80.66 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.83 0.852 . . . . 0.0 112.014 172.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -66.12 -55.57 15.8 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.742 0.817 . . . . 0.0 112.475 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.85 -41.6 76.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.17 0.896 . . . . 0.0 112.199 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 5.6 tt -75.75 -40.32 55.61 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.534 -0.728 . . . . 0.0 112.928 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.82 -38.96 54.93 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.415 1.007 . . . . 0.0 112.477 173.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.98 -50.13 74.94 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 117.502 0.651 . . . . 0.0 112.317 169.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -55.34 -40.39 71.15 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 120.224 -1.548 . . . . 0.0 113.159 173.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 14.3 m -64.71 -44.32 90.6 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.21 1.004 . . . . 0.0 113.133 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -58.06 -32.03 67.63 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.535 0.734 . . . . 0.0 111.803 171.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.04 -62.51 5.99 Favored Glycine 0 C--N 1.339 0.71 0 C-N-CA 124.235 0.921 . . . . 0.0 111.385 168.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 mt -54.21 -30.31 49.42 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.401 1.1 . . . . 0.0 113.805 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.96 -15.8 58.68 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 173.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -150.24 42.69 0.85 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.944 1.297 . . . . 0.0 113.273 -170.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 93.0 mt -63.72 -15.06 57.53 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.245 -1.534 . . . . 0.0 114.756 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -48.43 -42.08 31.17 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.942 1.297 . . . . 0.0 113.052 173.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -154.17 114.88 3.99 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.131 1.372 . . . . 0.0 109.823 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 66.4 mt -87.48 -33.17 19.11 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.273 0.629 . . . . 0.0 112.213 174.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -65.18 -15.62 62.63 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 120.348 -1.47 . . . . 0.0 113.174 -175.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.81 -46.97 2.79 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.522 1.534 . . . . 0.0 113.737 176.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.5 p -72.17 -24.79 61.49 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 118.868 1.334 . . . . 0.0 113.657 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -105.28 6.52 32.89 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.89 0.876 . . . . 0.0 112.989 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.68 -40.59 79.76 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 120.749 1.613 . . . . 0.0 114.235 -176.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 15.8 p -65.4 -36.66 84.64 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.957 -1.089 . . . . 0.0 111.917 172.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 21.5 mt -75.05 -34.98 61.89 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 118.082 -0.961 . . . . 0.0 112.671 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 55.6 p -70.45 -36.05 73.71 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 120.454 1.479 . . . . 0.0 111.409 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.04 -53.37 59.16 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.82 0.848 . . . . 0.0 112.237 165.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 49.0 tp -53.02 -51.83 60.42 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.333 -0.854 . . . . 0.0 111.118 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -78.65 19.46 0.49 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.278 1.431 . . . . 0.0 113.935 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 52.8 t -136.43 -88.62 0.3 Allowed 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -49.53 -21.69 1.04 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.24 2.216 . . . . 0.0 116.297 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.58 -35.81 5.67 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.545 1.138 . . . . 0.0 113.214 169.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mt -140.09 52.57 1.67 Allowed 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 125.9 1.68 . . . . 0.0 112.549 -168.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -58.26 29.43 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.71 0 C-N-CA 127.324 2.25 . . . . 0.0 114.895 172.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 8.6 p -46.36 142.46 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 O-C-N 118.899 -2.376 . . . . 0.0 110.908 174.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -58.91 130.02 85.94 Favored Pre-proline 0 CA--C 1.55 0.954 0 O-C-N 120.776 -1.203 . . . . 0.0 112.067 -172.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -51.3 -27.97 25.19 Favored 'Trans proline' 0 C--N 1.356 0.95 0 C-N-CA 124.121 3.214 . . . . 0.0 116.788 -169.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.74 -29.92 41.83 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.995 -1.066 . . . . 0.0 113.054 171.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 102' ' ' ASN . . . . . 0.429 HD21 ' N ' ' D' ' 102' ' ' ASN . 0.8 OUTLIER -63.94 -40.03 95.5 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.109 -0.994 . . . . 0.0 111.308 175.686 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -62.26 -47.51 84.04 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.505 1.048 . . . . 0.0 111.169 173.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -57.03 -43.55 82.02 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.065 0.946 . . . . 0.0 112.249 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mp -59.59 -51.86 68.02 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.668 0.787 . . . . 0.0 111.695 172.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.9 -33.67 69.0 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.358 0.981 . . . . 0.0 111.804 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 107' ' ' GLY . . . . . 0.446 ' HA2' HG13 ' D' ' 134' ' ' VAL . . . -66.31 -48.21 65.69 Favored Glycine 0 CA--C 1.526 0.735 0 O-C-N 121.067 -1.021 . . . . 0.0 114.609 173.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.05 -33.94 76.51 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 122.759 1.266 . . . . 0.0 111.967 173.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 109' ' ' VAL . . . . . 0.457 HG21 ' HA ' ' D' ' 31' ' ' LEU . 3.0 t -62.33 -47.49 92.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 125.542 1.537 . . . . 0.0 112.447 175.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 21.3 tp -52.59 -56.89 12.19 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 124.063 0.945 . . . . 0.0 110.305 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 18.4 m -55.95 -44.52 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-N 118.412 0.551 . . . . 0.0 111.89 -174.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 50.4 t -60.42 -44.51 95.69 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 121.029 -1.044 . . . . 0.0 113.444 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.91 -34.49 63.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 120.515 1.507 . . . . 0.0 111.666 175.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mt -65.08 -39.75 93.66 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.208 1.367 . . . . 0.0 110.257 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.06 77.21 Favored 'General case' 0 CA--C 1.526 0.055 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 174.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -61.98 -61.16 2.68 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.531 0.605 . . . . 0.0 110.44 168.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -72.76 -20.78 61.12 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -166.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -129.86 39.58 3.68 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.063 1.745 . . . . 0.0 111.489 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.67 -20.47 7.83 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.181 1.372 . . . . 0.0 116.228 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -25.64 65.28 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 168.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -134.99 11.36 3.61 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.801 1.241 . . . . 0.0 114.064 -173.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.93 29.68 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 128.324 2.65 . . . . 0.0 117.241 177.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 123' ' ' THR . . . . . 0.547 ' HG1' ' H ' ' D' ' 126' ' ' VAL . 30.1 p -46.18 148.58 1.49 Allowed Pre-proline 0 N--CA 1.484 1.238 0 C-N-CA 125.303 1.441 . . . . 0.0 113.849 -165.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -45.33 -44.97 15.83 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 122.286 1.99 . . . . 0.0 114.522 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.17 -38.28 36.95 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.944 1.763 . . . . 0.0 114.554 172.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 126' ' ' VAL . . . . . 0.547 ' H ' ' HG1' ' D' ' 123' ' ' THR . 0.5 OUTLIER -62.39 -44.52 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 CA-C-N 121.388 1.904 . . . . 0.0 111.695 -177.207 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -66.52 -41.92 88.06 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.861 -0.524 . . . . 0.0 110.936 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.97 97.68 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.732 0.813 . . . . 0.0 113.183 172.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.71 76.45 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.194 0.997 . . . . 0.0 110.552 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 130' ' ' TYR . . . . . 0.484 ' CZ ' HG21 ' D' ' 11' ' ' VAL . 33.5 m-85 -51.3 -49.58 61.02 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.405 0.548 . . . . 0.0 112.089 167.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.02 -34.43 74.83 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 117.587 -1.197 . . . . 0.0 113.205 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -68.24 -41.77 80.69 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 121.766 2.076 . . . . 0.0 113.59 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 2.2 p -63.62 -44.95 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 120.29 1.405 . . . . 0.0 110.721 171.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 134' ' ' VAL . . . . . 0.446 HG13 ' HA2' ' D' ' 107' ' ' GLY . 68.9 t -69.08 -31.69 51.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -177.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.97 -46.49 84.37 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 120.231 -1.543 . . . . 0.0 111.029 172.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.5 -43.11 94.18 Favored Glycine 0 N--CA 1.471 0.971 0 O-C-N 122.125 -0.359 . . . . 0.0 112.258 169.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.02 -43.27 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.248 1.019 . . . . 0.0 113.203 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.32 96.6 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.497 -0.752 . . . . 0.0 110.38 176.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -66.65 -32.04 73.1 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.143 0.577 . . . . 0.0 112.28 173.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.32 86.29 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.472 -1.393 . . . . 0.0 111.879 171.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 6.9 mt -65.77 -41.8 91.61 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.101 -1.0 . . . . 0.0 111.934 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.84 -13.62 62.53 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 173.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -54.07 -42.61 69.47 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 120.148 1.34 . . . . 0.0 112.286 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -61.21 -15.16 31.4 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.776 1.63 . . . . 0.0 114.429 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -75.71 -20.16 58.57 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.717 1.207 . . . . 0.0 111.779 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--O 1.255 1.371 0 C-N-CA 127.976 2.51 . . . . 0.0 114.584 -177.131 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.319 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.18 171.05 18.53 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 122.46 2.391 . . . . 0.0 109.842 -177.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 168.97 -27.41 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.622 0 N-CA-C 116.899 2.185 . . . . 0.0 116.899 -178.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -58.8 -161.04 0.02 OUTLIER 'Trans proline' 0 CA--C 1.548 1.186 0 C-N-CA 124.541 3.494 . . . . 0.0 115.075 172.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -45.9 -29.92 1.56 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.907 1.283 . . . . 0.0 114.167 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -47.58 -63.43 1.06 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 168.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -50.86 -45.11 59.77 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.009 1.323 . . . . 0.0 111.133 175.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.6 m -61.01 -49.58 76.85 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.622 0.769 . . . . 0.0 112.187 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.08 -38.25 90.14 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.137 0.975 . . . . 0.0 112.012 178.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.08 -47.99 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.721 1.208 . . . . 0.0 111.361 172.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -61.25 -44.57 97.03 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 119.304 0.956 . . . . 0.0 111.88 173.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.13 -50.12 74.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.328 0.651 . . . . 0.0 111.054 178.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.09 -57.33 13.32 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.748 0.819 . . . . 0.0 111.262 173.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -63.49 -23.99 67.63 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -175.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.75 -40.39 98.44 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.919 1.247 . . . . 0.0 113.363 170.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -70.41 -35.67 73.57 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 118.3 1.05 . . . . 0.0 111.419 170.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.425 HG13 ' CD2' ' A' ' 24' ' ' TYR . 98.0 t -64.93 -29.06 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.798 1.239 . . . . 0.0 113.256 176.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.46 123.23 1.05 Allowed Glycine 0 CA--C 1.541 1.668 0 C-N-CA 125.239 1.4 . . . . 0.0 113.929 176.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 81.29 -42.02 0.16 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 129.323 3.049 . . . . 0.0 114.26 -173.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -77.05 -11.79 59.85 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 174.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.509 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -42.57 -52.9 4.62 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.599 1.96 . . . . 0.0 113.749 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.0 -33.2 86.59 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 119.686 -0.508 . . . . 0.0 114.084 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.87 -45.44 89.42 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.348 1.059 . . . . 0.0 109.923 173.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.461 ' HA ' HG21 ' A' ' 108' ' ' THR . 14.6 m-30 -65.98 -37.42 85.91 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.75 -49.88 73.7 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 123.236 0.446 . . . . 0.0 112.268 168.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.15 -49.17 76.76 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.286 1.043 . . . . 0.0 112.511 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.48 -38.16 90.06 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 121.669 -0.644 . . . . 0.0 112.509 174.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.34 98.98 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.631 1.105 . . . . 0.0 112.195 177.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.2 mt -62.79 -49.69 73.99 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.272 1.029 . . . . 0.0 111.535 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -57.06 -46.72 82.23 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.669 0.668 . . . . 0.0 111.981 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.3 ttm-85 -61.36 -46.09 91.65 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.906 0.882 . . . . 0.0 111.494 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 47.3 ttp -58.46 -50.92 71.98 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.144 173.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -52.42 -57.16 10.71 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.469 0.708 . . . . 0.0 111.898 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' B' ' 125' ' ' PRO . 0.6 OUTLIER -69.53 -36.17 76.16 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.258 0.481 . . . . 0.0 111.398 -174.55 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.9 t -74.87 -30.71 61.41 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -175.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.532 ' CE2' HD22 ' A' ' 100' ' ' LEU . 98.4 m-85 -136.77 71.16 57.76 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 126.055 1.742 . . . . 0.0 109.302 -175.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -61.09 -13.18 26.39 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 123.076 2.517 . . . . 0.0 113.729 -173.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.21 -36.54 1.79 Allowed 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 163.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -36.26 73.72 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-N 121.51 1.959 . . . . 0.0 113.873 173.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -17.73 30.49 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 120.82 1.645 . . . . 0.0 114.327 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.29 -20.83 59.99 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 176.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -69.57 14.87 0.09 Allowed 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.17 0.895 . . . . 0.0 113.204 177.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.6 t80 63.58 59.66 1.89 Allowed Pre-proline 0 CA--C 1.544 0.719 0 C-N-CA 127.0 2.12 . . . . 0.0 112.075 172.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -62.24 123.67 12.91 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.678 2.919 . . . . 0.0 110.641 -175.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -66.99 3.92 0.98 Allowed 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 175.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -141.01 150.23 42.77 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.74 2.016 . . . . 0.0 111.312 -167.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.04 95.1 2.97 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 166.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' H ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -59.67 1.81 0.09 Allowed 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 172.14 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 m -59.13 155.02 14.72 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.457 2.303 . . . . 0.0 113.739 -178.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -50.47 141.11 12.7 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 169.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.34 1.71 29.74 Favored Glycine 0 CA--C 1.54 1.622 0 N-CA-C 116.26 1.264 . . . . 0.0 116.26 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.7 t -60.45 136.23 57.98 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.995 1.397 . . . . 0.0 113.555 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.15 -20.71 66.18 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.172 0.989 . . . . 0.0 113.661 171.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -81.78 -41.37 21.25 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.615 0.766 . . . . 0.0 111.249 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 91.1 t -62.77 -40.56 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 123.893 0.877 . . . . 0.0 112.019 -177.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -59.49 -42.64 92.59 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.219 0.918 . . . . 0.0 113.171 174.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.33 -44.67 73.55 Favored Glycine 0 N--CA 1.472 1.09 0 C-N-CA 123.952 0.786 . . . . 0.0 112.476 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -61.25 -47.73 84.71 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 122.248 -0.56 . . . . 0.0 111.002 170.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.6 -49.6 56.89 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.476 1.036 . . . . 0.0 113.782 176.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -53.43 -46.24 69.72 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.607 1.163 . . . . 0.0 112.102 171.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -44.81 80.07 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.81 -43.71 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 119.96 1.255 . . . . 0.0 110.359 172.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.509 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -64.87 -46.11 83.19 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 118.76 -0.638 . . . . 0.0 112.569 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.47 -37.82 79.18 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.721 1.146 . . . . 0.0 112.161 173.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.03 -40.95 95.54 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 121.722 -0.611 . . . . 0.0 112.117 170.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -41.21 98.4 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 118.567 -0.73 . . . . 0.0 111.711 171.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.3 m -58.41 -42.91 88.24 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 120.202 1.364 . . . . 0.0 111.283 171.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.426 HD22 HD21 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -66.66 -31.37 72.01 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.827 1.194 . . . . 0.0 111.957 175.011 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.405 ' HB1' HG23 ' A' ' 132' ' ' VAL . . . -69.42 -41.28 76.56 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-O 118.7 -0.667 . . . . 0.0 111.449 172.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.9 t -65.74 -48.79 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-N 120.096 1.316 . . . . 0.0 111.073 174.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.28 -30.84 65.04 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.388 1.475 . . . . 0.0 113.049 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -129.01 34.95 4.37 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 124.56 1.144 . . . . 0.0 111.315 -176.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . 0.257 8.6 p -57.52 -25.39 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 119.781 -1.824 . . . . 0.0 113.893 -172.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -94.68 -11.52 29.05 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 170.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -124.65 5.78 8.2 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.183 2.193 . . . . 0.0 112.93 -167.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -78.91 -3.72 0.07 OUTLIER Pre-proline 0 CA--C 1.548 0.892 0 N-CA-C 118.93 2.937 . . . . 0.0 118.93 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_exo -43.66 -34.07 5.22 Favored 'Trans proline' 0 C--N 1.364 1.366 0 CA-C-N 125.223 2.901 . . . . 0.0 117.058 -177.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.07 5.97 9.24 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.5 1.12 . . . . 0.0 114.003 173.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.45 -29.79 61.61 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.273 -1.517 . . . . 0.0 112.099 171.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.426 HD21 HD22 ' A' ' 68' ' ' ASN . 75.0 mt -80.89 1.57 30.25 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.498 0.719 . . . . 0.0 112.742 173.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.6 m -56.89 -31.12 64.54 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 120.469 1.486 . . . . 0.0 114.931 -177.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.51 -29.28 69.9 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 120.442 1.474 . . . . 0.0 112.759 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mt -82.48 -38.0 24.52 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.379 1.472 . . . . 0.0 110.793 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.8 m -66.65 -29.21 69.18 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 124.31 1.044 . . . . 0.0 112.516 167.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.89 -47.93 67.46 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.429 1.468 . . . . 0.0 111.131 169.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 tp -50.9 -52.43 41.97 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.408 0.683 . . . . 0.0 111.483 167.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -70.18 -48.85 55.45 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 118.092 -0.956 . . . . 0.0 112.183 -175.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.46 -16.06 50.24 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 121.013 1.733 . . . . 0.0 114.646 -175.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -124.31 14.81 8.99 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.874 1.269 . . . . 0.0 113.183 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -140.68 -53.45 0.49 Allowed 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 116.114 1.894 . . . . 0.0 116.114 175.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mp -130.87 -21.92 2.67 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 116.739 2.126 . . . . 0.0 116.739 -176.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 50.64 32.08 6.48 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.734 2.013 . . . . 0.0 114.668 171.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 t -55.18 135.39 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.123 1.369 . . . . 0.0 111.913 -173.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -51.89 133.7 38.38 Favored Pre-proline 0 CA--C 1.554 1.118 0 C-N-CA 122.958 0.503 . . . . 0.0 112.354 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -47.16 -22.78 2.47 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 124.92 3.746 . . . . 0.0 116.477 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.7 p -45.73 -47.6 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 119.984 1.265 . . . . 0.0 112.005 168.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -65.98 -23.75 66.65 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 120.044 1.293 . . . . 0.0 112.438 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -60.27 -52.87 63.45 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.172 1.351 . . . . 0.0 108.981 170.546 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -56.13 -34.44 66.09 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.912 0.885 . . . . 0.0 111.262 -175.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.532 HD22 ' CE2' ' A' ' 36' ' ' PHE . 66.0 mt -68.75 -53.32 22.57 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.845 0.858 . . . . 0.0 111.836 175.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.51 -39.81 94.47 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.522 1.055 . . . . 0.0 112.065 -177.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.8 p -65.19 -42.62 93.43 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.161 0.891 . . . . 0.0 111.392 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -57.97 -50.28 73.93 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.662 0.785 . . . . 0.0 111.53 169.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 91.6 m -59.02 -37.56 77.23 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 118.325 -0.845 . . . . 0.0 113.162 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.45 -55.58 29.64 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 117.913 -1.041 . . . . 0.0 111.758 172.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.0 mt -45.82 -44.76 14.44 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.191 0.905 . . . . 0.0 111.161 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.446 HG13 ' HB3' ' B' ' 115' ' ' ALA . 38.4 t -60.66 -48.46 88.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 118.389 -0.815 . . . . 0.0 113.03 173.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -62.38 -44.15 97.14 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 120.824 1.647 . . . . 0.0 112.306 178.286 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.87 -46.49 89.21 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 122.963 0.505 . . . . 0.0 110.322 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.82 -27.8 60.57 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 173.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.64 -5.48 40.73 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 174.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -131.82 -23.58 2.26 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -173.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.7 mp -100.31 157.99 32.79 Favored Pre-proline 0 CA--C 1.555 1.167 0 C-N-CA 124.242 1.017 . . . . 0.0 110.358 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -53.34 -35.57 75.39 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 123.924 3.083 . . . . 0.0 114.808 -171.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 117' ' ' PHE . . . -140.72 -56.82 0.52 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.108 1.363 . . . . 0.0 110.822 176.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 64.94 -13.79 0.11 Allowed 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.455 ' H ' ' C ' ' A' ' 115' ' ' ALA . 0.1 OUTLIER -126.5 18.02 7.53 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 126.865 2.066 . . . . 0.0 110.842 -173.575 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.2 p -54.36 163.4 1.3 Allowed Pre-proline 0 N--CA 1.486 1.366 0 C-N-CA 125.012 1.325 . . . . 0.0 110.295 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.539 ' HA ' HG22 ' B' ' 33' ' ' VAL . 36.9 Cg_exo -51.91 -41.4 63.57 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 CA-C-N 120.536 1.227 . . . . 0.0 113.913 176.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.74 -49.94 14.79 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 122.922 0.489 . . . . 0.0 111.122 174.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.4 t -70.84 -40.36 76.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 121.035 -1.04 . . . . 0.0 111.52 -168.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -45.36 93.36 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.439 1.018 . . . . 0.0 111.727 174.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.34 -55.5 30.83 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 122.895 0.478 . . . . 0.0 109.956 173.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 69.4 m -53.55 -51.1 64.0 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 126.474 1.91 . . . . 0.0 112.738 -176.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.7 mt -71.07 -44.39 65.84 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 117.969 -1.015 . . . . 0.0 112.557 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.0 -48.15 80.07 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.946 1.248 . . . . 0.0 111.669 -178.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -30.98 71.2 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 173.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -66.3 -52.97 41.91 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.795 1.18 . . . . 0.0 111.822 171.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.1 mt -59.09 -37.19 76.54 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.296 0.953 . . . . 0.0 110.23 175.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.47 -48.3 71.94 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.673 1.124 . . . . 0.0 112.112 167.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.1 m -60.01 -45.94 91.12 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 170.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.405 HG23 ' HB1' ' A' ' 69' ' ' ALA . 35.3 t -54.31 -51.44 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 119.478 1.036 . . . . 0.0 108.828 176.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 44.0 m -60.19 -50.48 73.49 Favored 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 125.976 1.71 . . . . 0.0 112.995 176.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 58.5 m -52.38 -41.69 63.34 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.653 1.569 . . . . 0.0 111.906 176.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 89.7 t -74.39 -38.9 47.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 122.621 0.368 . . . . 0.0 111.754 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.12 -23.57 64.0 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.433 -1.417 . . . . 0.0 113.836 174.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 59.2 p -95.63 -0.35 51.89 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.252 1.821 . . . . 0.0 111.822 171.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 CA--C 1.535 0.378 0 CA-C-O 122.558 1.171 . . . . 0.0 110.968 164.865 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.289 0.4 OUTLIER . . . . . 0 N--CA 1.517 2.901 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 t60 25.82 77.73 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 128.192 2.597 . . . . 0.0 115.439 -173.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.92 145.66 12.31 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.388 0.675 . . . . 0.0 112.087 -172.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.49 130.25 4.85 Favored Pre-proline 0 N--CA 1.481 1.1 0 CA-C-O 117.587 -1.197 . . . . 0.0 110.534 168.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -45.7 -43.25 18.89 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 124.26 3.307 . . . . 0.0 116.743 -169.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.54 -43.49 98.68 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.773 0.715 . . . . 0.0 112.28 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -70.03 -43.05 72.09 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.733 174.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -46.89 66.72 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.348 1.431 . . . . 0.0 110.657 170.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.84 -46.95 86.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 119.162 0.892 . . . . 0.0 111.152 175.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.96 -56.09 23.53 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.997 0.919 . . . . 0.0 113.225 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.88 -49.21 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 CA-C-N 119.088 0.858 . . . . 0.0 111.612 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.3 m -72.8 -38.92 67.06 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.208 0.913 . . . . 0.0 111.483 -168.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.26 -52.74 64.02 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-O 118.78 -0.628 . . . . 0.0 110.063 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.59 -37.39 87.16 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.749 -0.643 . . . . 0.0 111.889 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . 0.536 ' CZ2' ' HB3' ' B' ' 72' ' ' SER . 1.1 t90 -54.29 -47.68 72.12 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.138 0.881 . . . . 0.0 111.979 171.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.75 -8.44 7.74 Favored Glycine 0 CA--C 1.54 1.629 0 C-N-CA 125.125 1.345 . . . . 0.0 115.816 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.04 -8.51 5.97 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.978 2.111 . . . . 0.0 111.593 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.61 135.81 25.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.146 1.378 . . . . 0.0 110.092 173.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -85.2 84.33 7.72 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 45.9 t -52.49 -36.57 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -165.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -72.29 -36.32 68.93 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -91.1 -49.82 6.19 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.744 -0.597 . . . . 0.0 110.978 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -28.62 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 118.999 0.818 . . . . 0.0 112.277 169.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.68 -46.54 7.83 Favored Glycine 0 C--N 1.34 0.79 0 CA-C-N 119.44 1.018 . . . . 0.0 111.987 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.31 -39.99 93.39 Favored Glycine 0 N--CA 1.469 0.86 0 CA-C-N 118.104 0.952 . . . . 0.0 111.82 168.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.22 -52.08 60.53 Favored 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 124.613 1.165 . . . . 0.0 111.859 172.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.87 -49.76 74.95 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.913 1.688 . . . . 0.0 112.336 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.9 tp -69.79 -45.67 67.44 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 119.064 -0.493 . . . . 0.0 111.501 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.14 -45.48 95.94 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 119.482 1.037 . . . . 0.0 112.288 176.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.677 ' HA ' HG23 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -59.9 -28.34 67.49 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 117.871 -1.062 . . . . 0.0 111.567 175.675 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -53.8 32.97 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.493 1.497 . . . . 0.0 110.684 175.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.2 -31.0 68.25 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.993 0.517 . . . . 0.0 112.041 -179.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.677 HG23 ' HA ' ' B' ' 30' ' ' ARG . 1.0 OUTLIER -79.89 -10.32 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 174.833 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 98.5 t -100.48 -44.04 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-N 120.598 1.544 . . . . 0.0 110.82 176.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . 0.404 ' CZ ' HD23 ' B' ' 105' ' ' LEU . 83.6 m-85 -125.09 69.54 59.28 Favored Pre-proline 0 CA--C 1.533 0.294 0 C-N-CA 124.611 1.164 . . . . 0.0 110.574 -178.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_exo -44.12 -32.49 4.88 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.887 3.058 . . . . 0.0 115.907 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -51.05 -41.12 59.67 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.39 1.076 . . . . 0.0 113.049 174.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 75.1 p -59.91 -25.94 65.52 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.682 1.193 . . . . 0.0 112.62 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.32 -22.13 52.0 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-O 118.22 -0.895 . . . . 0.0 112.426 174.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -55.37 -33.32 63.32 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 121.245 1.838 . . . . 0.0 112.631 176.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -84.37 13.01 5.81 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 174.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.474 ' CG ' ' N ' ' B' ' 43' ' ' GLU . 0.8 OUTLIER -62.47 -78.27 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.908 1.231 . . . . 0.0 111.259 172.846 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.474 ' N ' ' CG ' ' B' ' 42' ' ' PHE . 40.5 mt-10 41.23 5.48 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.327 0 N-CA-C 117.906 2.558 . . . . 0.0 117.906 -165.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 92.2 p -142.11 -33.44 0.48 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.352 1.861 . . . . 0.0 114.144 -171.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -50.91 -30.93 16.01 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.653 1.981 . . . . 0.0 112.99 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.56 -50.02 3.74 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.526 1.536 . . . . 0.0 114.379 165.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -92.3 -118.41 0.08 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.68 1.192 . . . . 0.0 108.172 171.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.95 -19.44 0.05 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 127.573 2.349 . . . . 0.0 116.323 -177.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 6.2 m -50.33 -25.06 3.39 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 127.048 2.139 . . . . 0.0 114.964 -176.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -132.35 157.55 77.99 Favored Pre-proline 0 N--CA 1.469 0.501 0 C-N-CA 125.848 1.659 . . . . 0.0 111.625 168.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -53.25 -50.84 12.57 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.36 3.373 . . . . 0.0 114.955 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -62.62 -35.59 80.06 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.064 0.945 . . . . 0.0 112.398 176.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.79 -38.25 88.51 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 118.6 -0.714 . . . . 0.0 112.639 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.98 -38.17 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 CA-C-N 120.87 1.668 . . . . 0.0 112.361 177.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.66 -38.2 48.25 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.44 -15.92 78.99 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 123.756 0.693 . . . . 0.0 114.358 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -64.81 122.5 79.47 Favored Pre-proline 0 CA--C 1.547 0.848 0 CA-C-N 118.402 1.101 . . . . 0.0 112.733 -177.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -58.42 -35.49 98.62 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.167 2.578 . . . . 0.0 113.064 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -22.65 60.25 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 177.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 73.4 t -77.91 -35.94 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 CA-C-N 120.214 1.37 . . . . 0.0 110.986 169.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -60.97 -48.36 82.16 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.501 1.046 . . . . 0.0 111.606 167.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.3 -48.11 76.91 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -64.62 -36.24 83.62 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 120.533 -1.354 . . . . 0.0 111.262 171.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.95 -47.96 64.22 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 125.913 1.72 . . . . 0.0 113.117 172.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -59.97 -32.52 70.9 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 169.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -76.83 -47.86 20.18 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.295 1.038 . . . . 0.0 113.36 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.82 -42.88 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-N 119.814 1.188 . . . . 0.0 110.773 170.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -77.71 -34.27 52.83 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.778 -1.202 . . . . 0.0 112.772 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.06 -33.33 50.99 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.546 1.546 . . . . 0.0 113.223 167.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.42 -43.11 74.05 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.603 -0.94 . . . . 0.0 112.358 169.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -59.06 -40.99 86.86 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 120.291 1.405 . . . . 0.0 112.17 173.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' SER . . . . . 0.536 ' HB3' ' CZ2' ' B' ' 15' ' ' TRP . 0.3 OUTLIER -66.86 -40.58 87.91 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 120.989 1.722 . . . . 0.0 114.087 171.035 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -56.87 -27.4 60.37 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.79 1.177 . . . . 0.0 111.947 169.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.14 -69.13 1.38 Allowed Glycine 0 C--N 1.339 0.714 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 164.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.32 -30.61 12.42 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -178.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.6 -14.33 58.89 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.986 1.714 . . . . 0.0 114.935 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -149.54 36.01 0.72 Allowed 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -167.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 69.4 mt -64.3 -2.45 2.18 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -79.22 -7.03 57.93 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.892 1.677 . . . . 0.0 114.217 174.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -133.55 -47.87 0.82 Allowed 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -174.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 50.22 14.93 0.16 Allowed 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 126.678 1.991 . . . . 0.0 116.36 -175.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -139.72 -60.92 0.54 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.179 -1.575 . . . . 0.0 111.281 -177.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.47 -38.27 90.49 Favored Glycine 0 N--CA 1.478 1.46 0 C-N-CA 124.098 0.856 . . . . 0.0 114.865 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.5 t -69.66 -24.97 63.69 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.418 1.109 . . . . 0.0 113.122 175.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -109.67 1.52 19.59 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 117.504 -1.236 . . . . 0.0 114.187 -174.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.11 -40.06 57.59 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 121.194 1.815 . . . . 0.0 114.265 -171.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.4 p -64.17 -44.08 93.17 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.646 1.179 . . . . 0.0 113.117 172.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 12.4 mt -66.69 -43.2 85.06 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 118.425 -0.798 . . . . 0.0 111.397 173.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 5.2 t -59.62 -40.42 87.5 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.67 1.188 . . . . 0.0 111.77 176.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.83 -54.83 40.35 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.644 0.778 . . . . 0.0 111.678 170.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 28.3 tp -52.27 -48.33 65.34 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.214 -0.929 . . . . 0.0 111.299 175.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -81.68 11.69 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 125.596 1.558 . . . . 0.0 114.292 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 40.5 t -134.18 -56.67 0.86 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.589 1.156 . . . . 0.0 111.112 175.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -74.14 -43.83 55.97 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.004 -1.06 . . . . 0.0 112.221 -175.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -84.94 -37.05 20.99 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.727 0.811 . . . . 0.0 111.723 173.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 8.6 mt -136.88 54.47 1.87 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 124.836 1.254 . . . . 0.0 113.187 -167.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . 0.405 ' HB3' ' HB ' ' C' ' 41' ' ' THR . 1.6 t-160 -59.05 19.99 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 116.353 1.983 . . . . 0.0 116.353 177.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -41.55 136.59 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 126.197 1.799 . . . . 0.0 112.121 -178.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.57 128.86 43.91 Favored Pre-proline 0 CA--C 1.557 1.238 0 CA-C-O 118.396 -0.811 . . . . 0.0 111.826 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -44.88 -29.8 3.94 Favored 'Trans proline' 0 C--N 1.357 1.005 1 C-N-CA 125.705 4.27 . . . . 0.0 117.313 -169.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -45.87 -40.57 10.12 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.039 1.736 . . . . 0.0 112.735 171.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.68 -32.56 73.66 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.52 -1.362 . . . . 0.0 113.052 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -68.85 -47.87 64.88 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.595 1.088 . . . . 0.0 110.225 174.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -44.16 73.97 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.521 0.728 . . . . 0.0 110.683 174.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.404 HD23 ' CZ ' ' B' ' 35' ' ' TYR . 58.6 mt -59.41 -48.11 82.9 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.836 1.255 . . . . 0.0 112.941 173.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -46.67 82.11 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.9 1.227 . . . . 0.0 111.105 175.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' GLY . . . . . 0.403 ' HA3' HG12 ' B' ' 134' ' ' VAL . . . -55.47 -49.63 63.85 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 123.693 0.663 . . . . 0.0 113.793 173.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -56.89 -36.8 70.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.91 1.684 . . . . 0.0 111.945 176.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.34 -48.69 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 O-C-N 121.285 -0.884 . . . . 0.0 111.971 173.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 60.3 tp -53.51 -50.19 65.94 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.362 0.983 . . . . 0.0 111.229 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 22.9 m -61.78 -35.75 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.14 -38.22 82.46 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.175 0.898 . . . . 0.0 113.011 169.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 m -74.58 -36.55 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.957 1.253 . . . . 0.0 112.902 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.57 -38.0 89.45 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.847 -0.533 . . . . 0.0 110.41 172.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . 0.446 ' HB3' HG13 ' A' ' 107' ' ' VAL . . . -61.42 -35.41 77.48 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 171.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -60.68 -59.44 5.39 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.659 0.663 . . . . 0.0 110.823 168.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -76.24 -23.89 54.54 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -166.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -130.74 23.65 5.02 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.917 1.287 . . . . 0.0 113.317 -172.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -38.69 -37.0 0.51 Allowed Glycine 0 N--CA 1.48 1.616 0 N-CA-C 117.712 1.845 . . . . 0.0 117.712 -173.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -63.27 -46.59 86.11 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.247 1.419 . . . . 0.0 112.872 175.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -85.54 -23.93 27.47 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.057 1.743 . . . . 0.0 111.457 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -73.75 45.73 0.2 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.327 2.251 . . . . 0.0 112.643 169.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 3.8 t -52.61 150.57 9.1 Favored Pre-proline 0 N--CA 1.475 0.782 0 C-N-CA 124.549 1.14 . . . . 0.0 110.889 167.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . 0.275 13.4 Cg_exo -32.62 -49.65 0.36 Allowed 'Trans proline' 0 CA--C 1.55 1.285 0 C-N-CA 124.7 3.6 . . . . 0.0 117.953 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . 0.467 ' HA ' HD13 ' A' ' 34' ' ' LEU . 23.2 Cg_exo -65.82 -24.47 54.1 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.741 2.294 . . . . 0.0 116.469 -179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 1.6 t -59.75 -42.02 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 119.493 1.042 . . . . 0.0 111.685 178.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -62.96 -44.34 96.31 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.584 175.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.91 92.14 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.421 1.01 . . . . 0.0 111.586 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -56.44 -55.54 32.34 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.368 0.667 . . . . 0.0 112.44 173.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -57.82 -47.49 82.47 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 121.532 -0.73 . . . . 0.0 111.452 175.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -53.97 -34.94 61.16 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 117.355 -1.307 . . . . 0.0 113.028 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -75.51 -45.88 35.6 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 120.134 1.334 . . . . 0.0 113.378 173.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 1.3 p -62.21 -39.43 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 CA-C-N 120.835 1.652 . . . . 0.0 111.391 176.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . 0.403 HG12 ' HA3' ' B' ' 107' ' ' GLY . 56.0 t -64.55 -39.53 85.92 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 C-N-CA 126.536 1.934 . . . . 0.0 111.351 174.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.48 96.22 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.843 1.201 . . . . 0.0 111.734 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.74 -48.67 76.0 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 174.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 2.0 t -62.43 -42.18 94.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 173.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.46 -48.73 80.48 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 120.258 1.39 . . . . 0.0 111.236 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -64.4 -33.0 74.86 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 172.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.81 66.71 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 119.523 1.056 . . . . 0.0 111.668 172.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.33 -24.59 63.93 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.391 -0.818 . . . . 0.0 111.365 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . 0.482 ' HA ' ' CE1' ' B' ' 145' ' ' TYR . . . -86.29 -1.07 57.17 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 169.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -60.0 -47.35 86.2 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 119.765 -1.834 . . . . 0.0 112.444 -175.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -57.91 -5.38 0.41 Allowed 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 145' ' ' TYR . . . . . 0.482 ' CE1' ' HA ' ' B' ' 142' ' ' ALA . 1.4 m-85 . . . . . 0 CA--C 1.55 0.946 0 C-N-CA 124.833 1.253 . . . . 0.0 111.877 178.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.369 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.02 170.95 18.65 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 122.572 2.442 . . . . 0.0 109.914 -177.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 168.93 -27.3 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.622 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -58.72 -161.07 0.02 OUTLIER 'Trans proline' 0 CA--C 1.545 1.072 0 C-N-CA 124.339 3.36 . . . . 0.0 115.189 172.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -45.86 -29.93 1.53 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.958 1.303 . . . . 0.0 114.285 177.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -47.45 -63.4 1.06 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 168.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -50.97 -45.07 60.76 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.039 1.336 . . . . 0.0 111.12 175.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 96.9 m -61.01 -49.58 76.83 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.606 0.762 . . . . 0.0 112.271 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.1 -38.24 90.09 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.121 0.969 . . . . 0.0 112.023 178.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 48.6 t -62.08 -47.91 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.744 1.218 . . . . 0.0 111.395 172.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -61.25 -44.66 96.89 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.317 0.962 . . . . 0.0 111.96 173.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.95 -50.24 74.03 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.389 0.676 . . . . 0.0 111.181 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.77 -57.51 12.44 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.76 0.824 . . . . 0.0 111.358 173.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -63.55 -23.97 67.61 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -175.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.81 -40.18 98.16 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.949 1.262 . . . . 0.0 113.358 170.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -70.66 -35.6 72.94 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.239 1.019 . . . . 0.0 111.304 170.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.428 HG13 ' CD2' ' C' ' 24' ' ' TYR . 98.6 t -64.9 -29.15 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.788 1.235 . . . . 0.0 113.248 176.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.37 123.28 1.02 Allowed Glycine 0 CA--C 1.542 1.74 0 C-N-CA 125.178 1.37 . . . . 0.0 113.817 176.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 81.16 -41.98 0.17 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 129.312 3.045 . . . . 0.0 114.28 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -77.13 -11.74 59.85 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . 0.536 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -42.38 -52.94 4.42 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.615 1.966 . . . . 0.0 113.767 -178.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.04 -33.28 86.75 Favored Glycine 0 CA--C 1.527 0.79 0 O-C-N 121.829 -0.544 . . . . 0.0 114.219 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.68 -45.6 89.37 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.385 1.074 . . . . 0.0 109.927 173.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' TYR . . . . . 0.454 ' HA ' HG21 ' C' ' 108' ' ' THR . 14.4 m-30 -65.91 -37.37 85.91 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.88 -49.71 75.55 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 123.258 0.456 . . . . 0.0 112.367 168.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.27 -49.12 77.06 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.233 1.017 . . . . 0.0 112.479 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -38.26 90.45 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 121.743 -0.598 . . . . 0.0 112.386 174.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.42 98.87 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.646 1.112 . . . . 0.0 112.254 177.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 65.4 mt -62.82 -49.43 74.93 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.128 0.971 . . . . 0.0 111.62 174.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -57.22 -46.65 82.76 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.598 0.636 . . . . 0.0 112.069 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 ttm-85 -61.19 -46.21 91.4 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.979 0.912 . . . . 0.0 111.568 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 47.2 ttp -58.4 -51.02 71.6 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 118.896 -0.573 . . . . 0.0 111.05 173.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -52.31 -57.25 10.34 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.544 0.738 . . . . 0.0 111.882 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' D' ' 125' ' ' PRO . 0.6 OUTLIER -69.53 -36.03 76.02 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.265 0.484 . . . . 0.0 111.572 -174.582 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 10.1 t -75.01 -30.63 61.18 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.432 0.693 . . . . 0.0 112.844 -175.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' PHE . . . . . 0.531 ' CE2' HD23 ' C' ' 100' ' ' LEU . 98.5 m-85 -136.77 71.0 58.05 Favored Pre-proline 0 CA--C 1.536 0.428 0 C-N-CA 126.109 1.764 . . . . 0.0 109.338 -175.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -60.91 -13.28 26.18 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.114 2.542 . . . . 0.0 113.65 -173.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.2 -36.13 1.64 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 163.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -36.57 74.78 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 121.573 1.988 . . . . 0.0 113.804 173.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -17.6 29.17 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 120.778 1.626 . . . . 0.0 114.457 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' THR . . . . . 0.405 ' HB ' ' HB3' ' B' ' 97' ' ' HIS . 0.9 OUTLIER -74.25 -20.78 60.04 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 176.755 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -69.59 14.83 0.09 Allowed 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 119.103 0.865 . . . . 0.0 113.1 178.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 9.7 t80 63.56 59.73 1.89 Allowed Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 126.985 2.114 . . . . 0.0 112.07 172.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -62.3 123.64 12.85 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.68 2.92 . . . . 0.0 110.618 -175.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -66.93 3.78 1.0 Allowed 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 175.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -140.91 150.28 42.97 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.696 1.998 . . . . 0.0 111.301 -167.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.14 95.3 3.07 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 166.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.412 HD13 ' H ' ' C' ' 48' ' ' LEU . 0.0 OUTLIER -59.72 1.87 0.09 Allowed 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 115.562 1.69 . . . . 0.0 115.562 172.184 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 5.4 m -59.32 155.17 15.08 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 127.445 2.298 . . . . 0.0 113.71 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -50.67 141.28 13.03 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 169.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.31 1.74 29.65 Favored Glycine 0 CA--C 1.541 1.679 0 N-CA-C 116.223 1.249 . . . . 0.0 116.223 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 11.5 t -60.25 136.13 57.94 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.986 1.393 . . . . 0.0 113.528 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.23 -20.53 66.1 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 171.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -82.02 -41.52 20.56 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.739 0.816 . . . . 0.0 111.313 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 91.5 t -62.73 -40.39 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.765 0.826 . . . . 0.0 112.048 -177.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -59.25 -42.8 91.98 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.305 0.957 . . . . 0.0 113.178 174.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.49 -44.51 72.57 Favored Glycine 0 N--CA 1.472 1.061 0 C-N-CA 123.843 0.735 . . . . 0.0 112.486 -178.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -61.22 -47.89 84.01 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 122.204 -0.586 . . . . 0.0 110.878 170.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.43 -49.59 56.29 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 124.385 0.993 . . . . 0.0 113.913 176.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -53.35 -46.39 69.52 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.548 1.139 . . . . 0.0 112.077 171.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -44.82 80.47 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 60.8 t -57.8 -43.63 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 120.057 1.299 . . . . 0.0 110.377 171.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 63' ' ' ALA . . . . . 0.536 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -64.88 -46.11 83.16 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 118.634 -0.698 . . . . 0.0 112.538 178.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.39 -37.65 78.52 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.842 1.201 . . . . 0.0 112.323 173.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.3 -40.84 95.66 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.841 -0.537 . . . . 0.0 112.079 170.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -41.22 98.08 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 118.546 -0.74 . . . . 0.0 111.641 171.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 13.9 m -58.33 -42.92 87.88 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 120.298 1.408 . . . . 0.0 111.39 171.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -31.26 71.83 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.892 1.224 . . . . 0.0 111.995 174.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 69' ' ' ALA . . . . . 0.403 ' HB1' HG22 ' C' ' 132' ' ' VAL . . . -69.43 -41.82 75.81 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.336 172.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 81.9 t -65.23 -48.66 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 120.059 1.299 . . . . 0.0 111.119 174.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.46 -30.62 65.19 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.296 1.438 . . . . 0.0 113.071 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -129.37 35.02 4.29 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 124.675 1.19 . . . . 0.0 111.252 -176.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . 0.259 8.5 p -57.61 -25.48 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 O-C-N 119.951 -1.718 . . . . 0.0 113.779 -171.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -94.53 -11.78 28.89 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 170.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -124.52 5.96 8.28 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.118 2.167 . . . . 0.0 112.834 -167.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -78.86 -3.78 0.07 OUTLIER Pre-proline 0 CA--C 1.55 0.948 0 N-CA-C 118.963 2.949 . . . . 0.0 118.963 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -43.64 -34.12 5.21 Favored 'Trans proline' 0 C--N 1.362 1.286 0 CA-C-N 125.148 2.874 . . . . 0.0 117.06 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.08 6.0 9.23 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.575 1.15 . . . . 0.0 113.952 173.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.58 -29.91 61.51 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.334 -1.479 . . . . 0.0 112.156 171.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 75.1 mt -80.88 1.65 29.92 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.458 0.703 . . . . 0.0 112.836 173.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 66.9 m -57.04 -31.08 64.79 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.63 -28.98 69.5 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 120.452 1.478 . . . . 0.0 112.854 172.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mt -82.65 -37.95 24.17 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.406 1.483 . . . . 0.0 110.845 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 18.9 m -66.67 -29.24 69.2 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 124.408 1.083 . . . . 0.0 112.466 167.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -68.04 -47.88 67.17 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.449 1.477 . . . . 0.0 111.038 169.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 7.2 tp -50.85 -52.49 41.04 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.439 0.696 . . . . 0.0 111.41 167.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -69.94 -50.72 39.28 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 118.185 -0.912 . . . . 0.0 112.132 -176.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.42 -16.42 54.48 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 120.955 1.707 . . . . 0.0 114.738 -175.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -124.08 14.86 9.15 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.903 1.281 . . . . 0.0 113.263 -175.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -140.78 -53.18 0.48 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 116.175 1.917 . . . . 0.0 116.175 175.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mp -131.03 -21.86 2.63 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 116.656 2.095 . . . . 0.0 116.656 -176.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 50.76 31.68 6.23 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.74 2.016 . . . . 0.0 114.704 171.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 t -54.97 135.45 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.225 1.41 . . . . 0.0 111.994 -173.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -51.87 133.59 38.2 Favored Pre-proline 0 CA--C 1.554 1.113 0 C-N-CA 122.995 0.518 . . . . 0.0 112.387 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -47.08 -22.59 2.25 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 124.891 3.728 . . . . 0.0 116.621 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 13.9 p -46.11 -47.45 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 119.882 1.219 . . . . 0.0 111.892 169.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -65.96 -23.71 66.65 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 120.046 1.294 . . . . 0.0 112.472 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -60.27 -52.94 63.14 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.131 1.332 . . . . 0.0 109.006 170.527 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -56.16 -34.38 66.11 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.797 0.839 . . . . 0.0 111.275 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 100' ' ' LEU . . . . . 0.531 HD23 ' CE2' ' C' ' 36' ' ' PHE . 66.7 mt -68.78 -53.25 22.84 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.723 0.809 . . . . 0.0 111.82 175.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -39.98 94.84 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.592 1.087 . . . . 0.0 112.126 -177.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 78.1 p -64.76 -42.86 94.82 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 119.002 0.819 . . . . 0.0 111.379 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -58.19 -50.07 74.83 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.524 0.73 . . . . 0.0 111.442 169.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 91.3 m -59.17 -37.5 77.51 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.226 -0.893 . . . . 0.0 113.137 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 46.0 mt -61.42 -55.46 31.11 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 117.988 -1.006 . . . . 0.0 111.805 172.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 15.2 mt -45.89 -44.73 14.78 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.149 0.886 . . . . 0.0 111.177 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . 0.438 HG12 ' HB3' ' D' ' 115' ' ' ALA . 38.4 t -60.7 -48.42 88.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 118.339 -0.839 . . . . 0.0 113.144 173.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 108' ' ' THR . . . . . 0.454 HG21 ' HA ' ' C' ' 24' ' ' TYR . 0.2 OUTLIER -62.4 -44.03 97.41 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.86 1.664 . . . . 0.0 112.453 178.156 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.85 -46.53 89.04 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.063 0.545 . . . . 0.0 110.382 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.74 -27.78 59.92 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 173.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.71 -5.39 40.3 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 174.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -131.84 -23.72 2.24 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.659 1.725 . . . . 0.0 115.659 -173.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.8 mp -100.35 158.05 32.68 Favored Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 124.249 1.02 . . . . 0.0 110.342 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -53.47 -35.48 76.24 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 123.837 3.025 . . . . 0.0 114.802 -171.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . 0.46 ' C ' ' H ' ' C' ' 117' ' ' PHE . . . -140.87 -56.78 0.51 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.023 1.329 . . . . 0.0 110.718 176.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 65.08 -13.9 0.11 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -177.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 117' ' ' PHE . . . . . 0.46 ' H ' ' C ' ' C' ' 115' ' ' ALA . 0.1 OUTLIER -126.29 17.88 7.67 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 126.904 2.081 . . . . 0.0 110.762 -173.55 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 1.1 p -54.34 163.37 1.31 Allowed Pre-proline 0 N--CA 1.488 1.445 0 C-N-CA 124.889 1.276 . . . . 0.0 110.37 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 119' ' ' PRO . . . . . 0.548 ' HA ' HG22 ' D' ' 33' ' ' VAL . 37.9 Cg_exo -51.9 -41.37 63.68 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 CA-C-N 120.465 1.202 . . . . 0.0 113.958 176.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.67 -49.93 14.94 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 122.84 0.456 . . . . 0.0 111.226 174.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 41.1 t -70.74 -40.51 76.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.096 -1.003 . . . . 0.0 111.493 -168.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.37 -45.32 93.68 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.464 1.029 . . . . 0.0 111.84 174.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.43 -55.37 32.51 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 122.865 0.466 . . . . 0.0 109.965 173.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 69.6 m -53.51 -51.21 63.57 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 126.436 1.894 . . . . 0.0 112.763 -176.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 9.7 mt -70.86 -44.61 66.02 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 117.979 -1.01 . . . . 0.0 112.553 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -62.81 -48.27 79.83 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.927 1.239 . . . . 0.0 111.667 -177.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -30.88 71.09 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 173.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -66.41 -53.08 39.91 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.789 1.177 . . . . 0.0 111.729 171.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 5.1 mt -59.08 -36.97 76.01 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.355 0.979 . . . . 0.0 110.324 175.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.59 -48.25 72.36 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.634 1.106 . . . . 0.0 112.128 167.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 20.9 m -60.05 -46.05 90.82 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 170.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 132' ' ' VAL . . . . . 0.403 HG22 ' HB1' ' C' ' 69' ' ' ALA . 34.2 t -54.17 -51.49 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 119.356 0.98 . . . . 0.0 108.908 176.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 45.7 m -60.3 -50.16 74.75 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 125.918 1.687 . . . . 0.0 112.961 176.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 55.7 m -52.72 -41.45 63.98 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.719 1.599 . . . . 0.0 111.826 176.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 91.1 t -74.64 -38.92 46.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 122.713 0.405 . . . . 0.0 111.554 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.01 -23.77 64.13 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.475 -1.39 . . . . 0.0 113.863 174.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 60.8 p -95.39 -0.5 52.48 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.208 1.803 . . . . 0.0 111.789 171.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 CA--C 1.535 0.4 0 CA-C-O 122.464 1.126 . . . . 0.0 111.005 164.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.286 0.4 OUTLIER . . . . . 0 N--CA 1.518 2.927 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 t60 25.71 77.7 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 128.265 2.626 . . . . 0.0 115.456 -173.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.87 145.59 12.3 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.487 0.715 . . . . 0.0 112.028 -172.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.28 130.29 4.62 Favored Pre-proline 0 N--CA 1.482 1.14 0 CA-C-O 117.609 -1.186 . . . . 0.0 110.558 168.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -45.73 -43.38 18.89 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 124.346 3.364 . . . . 0.0 116.694 -169.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.53 -43.47 98.74 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 118.801 0.728 . . . . 0.0 112.346 176.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.98 -43.04 72.29 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.788 174.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -46.82 66.67 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 120.298 1.408 . . . . 0.0 110.66 170.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -46.74 87.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 119.24 0.927 . . . . 0.0 111.148 175.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.09 -55.99 24.91 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.011 0.924 . . . . 0.0 113.126 177.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.96 -49.32 80.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 119.117 0.872 . . . . 0.0 111.569 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -72.79 -38.79 67.12 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.258 0.935 . . . . 0.0 111.512 -168.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.45 -52.77 63.8 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 118.776 -0.63 . . . . 0.0 109.902 175.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.68 -37.36 87.05 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.683 0.674 . . . . 0.0 111.815 179.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 15' ' ' TRP . . . . . 0.538 ' CZ2' ' HB3' ' D' ' 72' ' ' SER . 1.1 t90 -54.25 -47.63 72.04 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.179 0.9 . . . . 0.0 112.028 171.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.85 -8.44 7.99 Favored Glycine 0 CA--C 1.541 1.665 0 C-N-CA 125.139 1.352 . . . . 0.0 115.808 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.03 -8.42 5.98 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.996 2.118 . . . . 0.0 111.666 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.7 135.92 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 125.148 1.379 . . . . 0.0 110.138 173.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -85.33 84.33 7.69 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 46.0 t -52.44 -36.65 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -165.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -72.3 -36.02 68.82 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 176.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -91.48 -49.84 6.11 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.793 -0.567 . . . . 0.0 110.97 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.09 -28.58 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 119.081 0.855 . . . . 0.0 112.41 169.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.66 -46.6 7.8 Favored Glycine 0 C--N 1.341 0.815 0 CA-C-N 119.418 1.008 . . . . 0.0 112.008 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.35 -39.83 93.27 Favored Glycine 0 N--CA 1.47 0.912 0 CA-C-N 118.158 0.979 . . . . 0.0 111.836 169.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.11 -52.33 59.71 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 124.521 1.128 . . . . 0.0 111.858 172.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 27' ' ' ALA . . . . . 0.414 ' HA ' HG13 ' D' ' 113' ' ' VAL . . . -61.75 -49.55 75.95 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.887 1.676 . . . . 0.0 112.436 -178.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 tp -70.03 -45.6 66.84 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 119.025 -0.512 . . . . 0.0 111.459 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.15 -45.42 96.05 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 119.485 1.039 . . . . 0.0 112.263 176.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 30' ' ' ARG . . . . . 0.66 ' HA ' HG23 ' D' ' 33' ' ' VAL . 0.0 OUTLIER -59.87 -28.41 67.51 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 117.77 -1.109 . . . . 0.0 111.436 175.594 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -53.75 33.71 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 120.581 1.537 . . . . 0.0 110.645 175.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.23 -31.05 68.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.894 0.478 . . . . 0.0 112.056 -179.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 33' ' ' VAL . . . . . 0.66 HG23 ' HA ' ' D' ' 30' ' ' ARG . 1.0 OUTLIER -79.8 -10.25 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 174.828 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 98.4 t -100.5 -44.13 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 120.688 1.585 . . . . 0.0 110.769 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 35' ' ' TYR . . . . . 0.407 ' CZ ' HD22 ' D' ' 105' ' ' LEU . 83.5 m-85 -125.07 69.68 59.43 Favored Pre-proline 0 CA--C 1.533 0.323 0 C-N-CA 124.563 1.145 . . . . 0.0 110.482 -178.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -44.23 -32.45 5.06 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.854 3.036 . . . . 0.0 115.858 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -50.93 -41.2 58.72 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.425 1.09 . . . . 0.0 113.139 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 75.3 p -59.88 -25.92 65.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.8 1.24 . . . . 0.0 112.585 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.3 -22.24 52.18 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 118.322 -0.847 . . . . 0.0 112.434 174.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -55.56 -32.99 63.46 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 121.246 1.839 . . . . 0.0 112.67 177.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -84.43 12.88 6.08 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 174.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 42' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' D' ' 43' ' ' GLU . 0.8 OUTLIER -62.39 -78.31 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.904 1.229 . . . . 0.0 111.213 172.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 43' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' D' ' 42' ' ' PHE . 41.3 mt-10 41.21 5.48 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.332 0 N-CA-C 117.977 2.584 . . . . 0.0 117.977 -165.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 92.1 p -142.14 -33.4 0.48 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.285 1.834 . . . . 0.0 114.106 -171.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -50.8 -31.05 15.84 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.696 1.999 . . . . 0.0 112.949 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.59 -50.09 3.76 Favored Glycine 0 N--CA 1.473 1.143 0 C-N-CA 125.47 1.509 . . . . 0.0 114.464 165.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -92.37 -118.32 0.08 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.628 1.171 . . . . 0.0 108.181 171.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.9 -19.45 0.05 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 127.509 2.324 . . . . 0.0 116.295 -177.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -50.32 -25.13 3.46 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 127.209 2.204 . . . . 0.0 114.894 -176.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -132.36 157.39 78.39 Favored Pre-proline 0 N--CA 1.468 0.444 0 C-N-CA 125.817 1.647 . . . . 0.0 111.642 168.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -53.08 -50.95 12.26 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 124.366 3.378 . . . . 0.0 114.893 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -62.52 -35.69 80.22 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.069 0.947 . . . . 0.0 112.409 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.72 -38.23 88.61 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 118.605 -0.712 . . . . 0.0 112.661 177.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -64.05 -38.08 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-N 120.892 1.678 . . . . 0.0 112.38 177.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -38.12 48.18 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.57 -15.85 78.87 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 123.651 0.643 . . . . 0.0 114.444 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -64.58 122.5 78.94 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-N 118.354 1.077 . . . . 0.0 112.787 -177.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -58.38 -35.47 98.65 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.266 2.644 . . . . 0.0 113.083 177.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -22.56 60.07 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 177.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 73.2 t -78.02 -36.03 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 CA-C-N 120.241 1.382 . . . . 0.0 110.941 169.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -60.77 -48.4 81.98 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.47 1.032 . . . . 0.0 111.698 167.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.18 76.53 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -64.51 -36.46 84.28 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 120.568 -1.333 . . . . 0.0 111.199 171.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.94 -48.0 64.07 Favored Glycine 0 N--CA 1.471 1.032 0 C-N-CA 125.984 1.755 . . . . 0.0 112.954 172.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -59.87 -32.6 70.87 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 170.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -76.94 -47.88 19.72 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.184 0.994 . . . . 0.0 113.285 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.71 -42.95 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.761 1.164 . . . . 0.0 110.931 170.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -77.6 -34.08 53.57 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.892 -1.13 . . . . 0.0 112.874 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.05 -33.6 51.28 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.568 1.556 . . . . 0.0 113.218 167.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.13 -43.11 75.04 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.607 -0.937 . . . . 0.0 112.47 169.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -58.96 -41.11 86.71 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.208 1.367 . . . . 0.0 112.325 173.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 72' ' ' SER . . . . . 0.538 ' HB3' ' CZ2' ' D' ' 15' ' ' TRP . 0.3 OUTLIER -66.73 -40.72 88.47 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 120.873 1.67 . . . . 0.0 114.055 171.055 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -56.87 -27.45 60.47 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.666 1.121 . . . . 0.0 111.929 169.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.12 -69.29 1.33 Allowed Glycine 0 C--N 1.338 0.646 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 164.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.31 -30.56 12.26 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -178.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.51 -14.42 58.89 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.994 1.718 . . . . 0.0 114.842 176.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -149.49 35.92 0.72 Allowed 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -167.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 69.7 mt -64.36 -2.41 2.2 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -79.29 -6.88 57.69 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.89 1.676 . . . . 0.0 114.181 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -133.67 -47.85 0.81 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -174.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 50.26 14.72 0.16 Allowed 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 -175.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -139.57 -60.84 0.55 Allowed 'General case' 0 N--CA 1.485 1.281 0 O-C-N 120.125 -1.609 . . . . 0.0 111.319 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.57 -38.34 91.08 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.01 0.814 . . . . 0.0 114.873 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.5 t -69.56 -25.14 63.85 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 118.429 1.114 . . . . 0.0 113.153 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -109.5 1.7 19.97 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -174.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.09 -40.15 57.72 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 121.072 1.76 . . . . 0.0 114.261 -171.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 4.3 p -64.09 -44.27 92.85 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.587 1.155 . . . . 0.0 113.039 172.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 12.4 mt -66.45 -43.35 85.81 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-O 118.567 -0.73 . . . . 0.0 111.41 173.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 5.2 t -59.5 -40.58 87.53 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.696 1.199 . . . . 0.0 111.737 176.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.75 -54.99 38.53 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.399 -0.813 . . . . 0.0 111.566 170.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 28.7 tp -52.12 -48.34 64.88 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.221 -0.924 . . . . 0.0 111.309 175.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -81.73 11.59 4.69 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 125.626 1.57 . . . . 0.0 114.23 -175.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 40.9 t -134.01 -56.71 0.87 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.696 1.198 . . . . 0.0 111.211 175.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -74.25 -43.71 55.9 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.128 -0.983 . . . . 0.0 112.175 -175.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -84.99 -37.07 20.87 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.658 0.783 . . . . 0.0 111.678 173.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 8.6 mt -136.84 54.49 1.87 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.906 1.282 . . . . 0.0 113.159 -166.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -59.14 20.1 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 116.169 1.914 . . . . 0.0 116.169 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -41.75 136.69 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 126.228 1.811 . . . . 0.0 112.01 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.51 128.86 43.35 Favored Pre-proline 0 CA--C 1.555 1.138 0 CA-C-O 118.353 -0.832 . . . . 0.0 111.898 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -45.05 -29.77 4.17 Favored 'Trans proline' 0 C--N 1.356 0.942 1 C-N-CA 125.717 4.278 . . . . 0.0 117.219 -169.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -45.73 -40.61 9.6 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.128 1.771 . . . . 0.0 112.755 171.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -32.69 73.89 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 120.468 -1.395 . . . . 0.0 112.926 178.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -68.7 -48.05 64.85 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.598 1.09 . . . . 0.0 110.224 174.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -44.15 73.64 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.556 0.742 . . . . 0.0 110.693 174.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 105' ' ' LEU . . . . . 0.407 HD22 ' CZ ' ' D' ' 35' ' ' TYR . 58.5 mt -59.56 -47.98 83.43 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.825 1.25 . . . . 0.0 112.852 173.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.12 -46.58 82.53 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.007 1.276 . . . . 0.0 111.077 175.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.61 -49.61 64.5 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 123.751 0.691 . . . . 0.0 113.688 173.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -57.04 -36.63 70.71 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.968 1.707 . . . . 0.0 111.902 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.43 -48.81 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 O-C-N 121.275 -0.891 . . . . 0.0 111.912 173.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 60.3 tp -53.4 -50.19 65.68 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.478 1.036 . . . . 0.0 111.29 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 23.2 m -61.92 -35.65 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.01 -38.3 82.27 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.193 0.906 . . . . 0.0 113.136 169.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 113' ' ' VAL . . . . . 0.414 HG13 ' HA ' ' D' ' 27' ' ' ALA . 2.1 m -74.48 -36.61 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 O-C-N 120.67 -1.269 . . . . 0.0 112.979 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.62 -38.03 89.59 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.263 0.483 . . . . 0.0 110.407 172.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 115' ' ' ALA . . . . . 0.438 ' HB3' HG12 ' C' ' 107' ' ' VAL . . . -61.18 -35.45 77.18 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 171.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -60.77 -59.32 5.57 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.666 0.666 . . . . 0.0 110.876 168.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -76.29 -23.98 54.4 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -166.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -130.7 23.72 5.04 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.808 1.243 . . . . 0.0 113.253 -172.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -38.63 -37.1 0.51 Allowed Glycine 0 N--CA 1.48 1.623 0 N-CA-C 117.697 1.839 . . . . 0.0 117.697 -173.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -63.24 -46.64 85.99 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.294 1.438 . . . . 0.0 112.816 175.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -85.6 -23.89 27.39 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.104 1.762 . . . . 0.0 111.435 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -73.68 45.62 0.19 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.4 2.28 . . . . 0.0 112.63 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 3.8 t -52.55 150.51 9.08 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 124.649 1.18 . . . . 0.0 110.947 167.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . 0.276 13.4 Cg_exo -32.59 -49.49 0.36 Allowed 'Trans proline' 0 CA--C 1.549 1.229 0 C-N-CA 124.715 3.61 . . . . 0.0 118.06 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 125' ' ' PRO . . . . . 0.485 ' HA ' HD12 ' C' ' 34' ' ' LEU . 23.7 Cg_exo -65.81 -24.67 53.95 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.823 2.349 . . . . 0.0 116.371 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 1.6 t -59.66 -42.07 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.491 1.041 . . . . 0.0 111.704 178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.1 -44.21 96.33 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 118.082 -0.961 . . . . 0.0 111.459 175.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.17 91.61 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.45 1.023 . . . . 0.0 111.617 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -56.28 -55.52 32.26 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.351 0.661 . . . . 0.0 112.469 173.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -57.87 -47.53 82.48 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 121.509 -0.745 . . . . 0.0 111.348 175.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -54.01 -34.88 61.08 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 117.459 -1.258 . . . . 0.0 113.002 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -75.42 -46.08 34.92 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 120.195 1.361 . . . . 0.0 113.357 173.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 1.3 p -62.1 -39.4 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 CA-C-N 120.906 1.685 . . . . 0.0 111.389 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 55.8 t -64.61 -39.51 85.87 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 C-N-CA 126.567 1.947 . . . . 0.0 111.375 174.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.46 96.21 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.7 1.136 . . . . 0.0 111.681 172.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.67 -48.69 75.45 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 174.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 2.0 t -62.33 -42.17 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 173.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.58 81.16 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 120.126 1.33 . . . . 0.0 111.27 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -64.38 -33.03 74.92 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 172.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.82 -51.89 66.42 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 119.515 1.052 . . . . 0.0 111.636 172.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.2 -24.81 64.08 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.458 -0.776 . . . . 0.0 111.387 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 142' ' ' ALA . . . . . 0.479 ' HA ' ' CE1' ' D' ' 145' ' ' TYR . . . -86.1 -1.05 57.03 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 169.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -59.96 -47.46 85.71 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 119.874 -1.766 . . . . 0.0 112.387 -176.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -57.91 -5.31 0.41 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 145' ' ' TYR . . . . . 0.479 ' CE1' ' HA ' ' D' ' 142' ' ' ALA . 1.4 m-85 -71.92 -7.28 47.63 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.774 1.23 . . . . 0.0 111.789 178.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 C--O 1.256 1.416 0 C-N-CA 125.683 1.593 . . . . 0.0 114.624 169.57 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.253 5.1 p . . . . . 0 N--CA 1.515 2.796 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.3 mt -137.09 172.71 12.6 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.66 1.584 . . . . 0.0 111.012 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.81 170.14 6.97 Favored Pre-proline 0 N--CA 1.475 0.811 0 C-N-CA 125.857 1.663 . . . . 0.0 110.682 -176.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -78.79 -40.8 0.27 Allowed 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.624 2.216 . . . . 0.0 112.931 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.1 -30.18 69.29 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -177.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.62 -43.47 98.79 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 118.801 0.728 . . . . 0.0 110.816 174.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -54.94 -49.75 70.59 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.934 0.894 . . . . 0.0 111.043 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.8 m -57.82 -44.28 86.32 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.806 0.842 . . . . 0.0 111.611 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -68.79 -35.37 76.95 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 177.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.0 t -65.9 -50.13 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 119.162 0.892 . . . . 0.0 110.992 172.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -58.64 -44.2 89.97 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.205 0.911 . . . . 0.0 111.334 176.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.12 -51.4 69.46 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.401 0.68 . . . . 0.0 111.825 175.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.06 -54.12 45.96 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.706 0.685 . . . . 0.0 112.254 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -61.92 -27.67 68.99 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.878 0.871 . . . . 0.0 112.916 -177.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.43 -36.89 93.98 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.218 0.913 . . . . 0.0 113.688 170.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -74.91 -35.0 62.22 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 118.438 1.119 . . . . 0.0 111.673 172.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.49 -51.03 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.144 0.978 . . . . 0.0 111.183 174.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.73 -133.79 9.24 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.274 0.94 . . . . 0.0 113.867 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.91 -22.25 47.65 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 178.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -70.73 -6.91 41.0 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 175.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.72 -43.28 57.88 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 120.772 -1.205 . . . . 0.0 112.67 176.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.44 -48.28 75.42 Favored Glycine 0 C--N 1.341 0.806 0 C-N-CA 123.461 0.553 . . . . 0.0 113.643 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -66.75 -35.3 79.79 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.05 0.925 . . . . 0.0 111.739 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -65.63 -35.75 81.71 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.265 0.938 . . . . 0.0 112.536 173.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.21 -46.59 70.33 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 119.43 1.013 . . . . 0.0 112.619 171.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.87 -49.73 74.59 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.934 0.894 . . . . 0.0 111.687 175.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -54.97 -48.84 72.71 Favored 'General case' 0 C--O 1.227 -0.107 0 C-N-CA 125.216 1.406 . . . . 0.0 111.898 170.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.53 -38.32 89.55 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.957 0.799 . . . . 0.0 112.852 -175.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.16 -51.51 66.13 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.283 1.033 . . . . 0.0 111.65 173.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -55.06 -53.24 58.39 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.639 -0.663 . . . . 0.0 111.698 173.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.6 mtt-85 -52.62 -40.43 62.74 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.74 1.216 . . . . 0.0 112.137 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.4 tmm? -59.9 -47.93 83.76 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.167 0.894 . . . . 0.0 112.058 173.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -61.64 -37.25 83.31 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.96 -35.45 14.69 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 178.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.5 m -71.16 -15.82 62.5 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.658 1.117 . . . . 0.0 113.197 176.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -142.43 79.37 15.61 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 125.201 1.4 . . . . 0.0 109.854 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -49.74 -27.83 16.19 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 123.946 3.097 . . . . 0.0 115.274 -178.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -32.71 9.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.013 1.725 . . . . 0.0 114.02 171.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -18.12 59.38 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 178.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -60.82 -27.4 68.03 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 120.409 1.459 . . . . 0.0 114.205 -176.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.7 t -57.51 -28.98 63.94 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 173.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -32.83 74.39 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-O 117.934 -1.031 . . . . 0.0 113.623 -175.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.3 t80 5.13 77.53 0.05 OUTLIER Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 128.869 2.868 . . . . 0.0 114.599 172.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -64.0 -57.06 0.38 Allowed 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 122.177 1.918 . . . . 0.0 111.846 -172.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -169.24 9.8 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 126.494 1.918 . . . . 0.0 113.567 174.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.12 140.74 41.95 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.758 -1.214 . . . . 0.0 112.996 -167.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.0 -42.21 76.77 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.2 mt 46.84 26.73 0.6 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.057 1.743 . . . . 0.0 114.652 -172.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.3 m -74.78 28.32 0.09 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.004 2.122 . . . . 0.0 115.19 -175.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 74.3 t60 62.14 136.37 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 127.93 2.492 . . . . 0.0 113.923 -166.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.82 16.78 64.26 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 124.052 0.834 . . . . 0.0 114.88 -177.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.7 m -55.54 112.01 1.03 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.97 2.108 . . . . 0.0 114.208 -170.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.83 -36.23 64.78 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -176.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -64.34 -35.64 81.54 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.552 -0.717 . . . . 0.0 112.644 175.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.09 -35.91 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 O-C-N 121.541 -0.725 . . . . 0.0 110.959 174.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -63.04 -49.05 76.1 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 119.152 0.887 . . . . 0.0 111.559 172.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.31 -52.7 47.58 Favored Glycine 0 N--CA 1.471 0.971 0 C-N-CA 124.35 0.976 . . . . 0.0 112.753 177.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -55.73 -43.77 76.88 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 117.95 0.875 . . . . 0.0 111.33 172.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.04 -50.61 54.51 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 124.401 1.001 . . . . 0.0 113.782 171.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -57.12 -41.36 78.88 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 119.187 1.493 . . . . 0.0 112.668 172.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -69.35 -45.05 70.35 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.988 0.813 . . . . 0.0 111.398 -178.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.9 t -53.86 -47.96 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.27 1.028 . . . . 0.0 110.567 168.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.95 -46.77 87.84 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.6 -42.57 99.65 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.017 0.927 . . . . 0.0 111.331 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.15 -40.18 80.69 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.756 0.823 . . . . 0.0 112.771 169.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.24 -44.1 84.69 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.574 -0.703 . . . . 0.0 111.604 173.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 66.4 m -57.79 -41.88 83.01 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.937 1.244 . . . . 0.0 112.025 172.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -58.26 -46.39 86.1 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.866 0.866 . . . . 0.0 111.404 170.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.7 -44.94 86.22 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.581 -0.699 . . . . 0.0 112.787 172.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -61.42 -45.13 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-N 120.059 1.3 . . . . 0.0 111.74 175.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.82 -23.99 66.8 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.978 1.311 . . . . 0.0 113.974 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -131.89 31.84 4.15 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.126 1.37 . . . . 0.0 111.679 -173.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.9 -18.8 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -164.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -102.75 -1.78 29.31 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.781 1.232 . . . . 0.0 114.056 173.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -127.75 -3.19 5.95 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.297 2.239 . . . . 0.0 113.084 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -61.96 -19.05 0.49 Allowed Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 118.266 2.691 . . . . 0.0 118.266 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -43.2 -24.4 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 124.523 3.482 . . . . 0.0 117.997 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -118.22 -22.29 7.79 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 167.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.44 -18.39 63.7 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.4 mt -101.44 3.99 40.9 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.213 1.005 . . . . 0.0 113.29 172.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.1 t -56.82 -36.57 70.1 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 120.101 1.318 . . . . 0.0 114.512 -169.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.68 -34.07 72.4 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.11 -0.994 . . . . 0.0 112.555 173.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.5 mt -76.57 -41.06 47.75 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.125 0.97 . . . . 0.0 110.575 174.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.2 m -59.14 -40.48 85.59 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.017 0.527 . . . . 0.0 112.109 175.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -60.99 -50.0 75.17 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.178 0.991 . . . . 0.0 112.234 172.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tp -49.45 -56.18 10.6 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.818 0.847 . . . . 0.0 110.929 171.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -69.79 -41.63 74.82 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.407 -0.808 . . . . 0.0 112.641 -174.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.29 -13.92 58.81 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -124.67 -47.75 1.82 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.692 1.133 . . . . 0.0 113.576 -172.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -65.39 -44.52 87.23 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.461 1.028 . . . . 0.0 113.277 -171.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 mp -130.5 1.84 4.55 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.761 1.224 . . . . 0.0 113.431 172.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.43 46.91 10.82 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 126.222 1.809 . . . . 0.0 112.829 -171.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.9 t -48.86 124.19 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 127.585 2.354 . . . . 0.0 111.414 -177.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -71.05 119.11 71.43 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 126.996 2.119 . . . . 0.0 112.797 -177.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -45.92 -32.61 9.69 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 124.868 3.712 . . . . 0.0 116.342 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.433 HG12 HD21 ' A' ' 97' ' ' ASN . 8.5 p -50.79 -38.88 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 O-C-N 120.779 -1.2 . . . . 0.0 112.898 172.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.433 HD21 HG12 ' A' ' 96' ' ' VAL . 0.9 OUTLIER -61.15 -37.53 83.19 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.651 1.114 . . . . 0.0 111.859 178.592 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -43.09 88.03 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-O 119.215 -0.422 . . . . 0.0 109.993 173.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -55.3 -41.42 72.33 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.465 0.706 . . . . 0.0 110.198 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.01 -58.7 7.31 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.531 1.132 . . . . 0.0 110.623 177.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -29.72 70.58 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.557 -0.714 . . . . 0.0 112.107 -178.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.4 t -60.75 -51.12 70.68 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.595 1.558 . . . . 0.0 112.345 173.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -57.55 -41.87 81.84 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.686 -0.634 . . . . 0.0 110.99 171.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 84.3 m -67.34 -34.9 78.3 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.0 mt -62.62 -51.35 67.64 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.806 1.242 . . . . 0.0 110.284 170.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.7 mt -51.19 -45.32 61.78 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.238 0.615 . . . . 0.0 112.018 172.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.1 t -55.66 -48.0 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.57 0.748 . . . . 0.0 112.948 171.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -36.16 83.06 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 120.343 1.428 . . . . 0.0 113.563 176.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.66 -46.91 83.47 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 120.136 1.335 . . . . 0.0 110.107 172.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.59 -38.95 56.84 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.437 1.095 . . . . 0.0 113.482 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.53 -12.09 60.38 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 -177.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -127.49 -26.97 2.94 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -171.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.56 178.93 2.13 Favored Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 124.497 1.119 . . . . 0.0 110.513 170.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -54.68 -147.1 0.0 OUTLIER 'Trans proline' 0 CA--C 1.55 1.302 1 C-N-CA 125.554 4.169 . . . . 0.0 115.188 164.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.418 ' HA ' ' CE1' ' B' ' 116' ' ' HIS . . . -63.1 50.67 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.505 1.922 . . . . 0.0 114.335 170.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -46.57 -34.54 5.01 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 128.665 2.786 . . . . 0.0 115.071 -164.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -73.27 48.94 0.25 Allowed 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.714 0.769 . . . . 0.0 111.98 165.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.48 164.53 37.34 Favored Pre-proline 0 N--CA 1.48 1.067 0 O-C-N 120.642 -1.287 . . . . 0.0 108.985 171.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -57.47 -54.29 3.63 Favored 'Trans proline' 0 C--N 1.346 0.432 0 CA-C-N 120.846 1.338 . . . . 0.0 112.115 172.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.45 -28.57 64.06 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 -175.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.2 t -88.17 -43.7 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 118.44 -0.79 . . . . 0.0 111.039 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -65.39 -53.58 41.15 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.05 1.295 . . . . 0.0 111.356 175.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.56 -1.02 5.82 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.4 t -93.54 -61.59 1.53 Allowed 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.912 0.885 . . . . 0.0 110.074 164.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.12 -37.91 84.49 Favored 'General case' 0 C--N 1.335 -0.057 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -171.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.48 -51.19 70.93 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 119.809 1.186 . . . . 0.0 111.363 177.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 -28.46 51.4 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.843 0.857 . . . . 0.0 113.225 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -60.77 -56.84 16.38 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 119.615 1.098 . . . . 0.0 110.21 168.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.88 -37.67 85.45 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.81 0.732 . . . . 0.0 111.465 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.06 -44.91 83.51 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.726 1.148 . . . . 0.0 112.317 170.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 34.9 t -62.71 -42.57 99.71 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.311 0.96 . . . . 0.0 113.282 171.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 95.2 t -51.99 -49.81 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-O 118.186 -0.911 . . . . 0.0 109.567 171.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.2 t -58.56 -54.97 40.99 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 118.37 -0.824 . . . . 0.0 113.011 174.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 95.5 m -49.19 -35.74 17.88 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.91 1.232 . . . . 0.0 112.588 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 50.8 t -75.06 -50.66 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.319 1.047 . . . . 0.0 112.246 172.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.51 -10.34 7.68 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.094 1.758 . . . . 0.0 114.451 175.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 38.0 p -119.44 2.07 11.24 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 127.076 2.151 . . . . 0.0 111.444 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 CA--C 1.54 0.581 0 C-N-CA 125.203 1.401 . . . . 0.0 112.746 170.319 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.303 2.4 p . . . . . 0 N--CA 1.506 2.351 0 CA-C-O 116.966 -1.492 . . . . 0.0 112.692 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 71.5 t60 22.82 77.07 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 127.677 2.391 . . . . 0.0 116.081 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.23 161.25 19.71 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.664 0.786 . . . . 0.0 110.794 176.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.511 ' HG1' ' H ' ' B' ' 7' ' ' GLU . 6.5 p -67.47 157.76 84.64 Favored Pre-proline 0 N--CA 1.481 1.114 0 O-C-N 121.431 -0.793 . . . . 0.0 109.849 158.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -53.65 -38.9 84.68 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 122.466 2.111 . . . . 0.0 113.409 171.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -70.67 -43.03 69.95 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.609 1.164 . . . . 0.0 111.853 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.511 ' H ' ' HG1' ' B' ' 4' ' ' THR . 79.9 mt-10 -61.09 -42.95 99.45 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.459 -0.776 . . . . 0.0 111.49 170.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -60.13 -48.26 82.45 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.789 0.722 . . . . 0.0 110.962 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 51.3 m -55.23 -42.17 73.03 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 118.65 -0.69 . . . . 0.0 111.801 174.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.75 -56.25 24.66 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.263 0.938 . . . . 0.0 112.468 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.53 -52.97 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 119.543 1.065 . . . . 0.0 111.738 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.2 m -71.29 -34.06 70.3 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.156 0.889 . . . . 0.0 112.408 -170.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.56 77.59 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 120.113 1.324 . . . . 0.0 112.185 173.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -67.9 -42.42 81.17 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.402 -0.811 . . . . 0.0 110.532 172.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -51.27 -44.21 61.74 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.384 -0.822 . . . . 0.0 111.137 168.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.95 -12.45 15.14 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 127.077 2.275 . . . . 0.0 116.915 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.37 -2.13 7.5 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.492 1.646 . . . . 0.0 114.288 165.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.43 HG23 HG12 ' B' ' 23' ' ' VAL . 0.4 OUTLIER -58.22 139.84 17.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 123.903 0.881 . . . . 0.0 111.862 -178.556 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -84.7 77.72 10.0 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.71 0.804 . . . . 0.0 109.523 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 62.8 t -48.51 -36.21 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 C-N-CA 124.573 1.149 . . . . 0.0 113.631 -170.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -83.61 -10.78 58.01 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.476 1.91 . . . . 0.0 115.914 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -114.11 -52.49 2.73 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.752 1.221 . . . . 0.0 110.42 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.43 HG12 HG23 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -58.24 -32.32 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 121.216 -0.927 . . . . 0.0 111.904 172.516 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.96 -45.36 20.96 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 119.323 0.965 . . . . 0.0 112.01 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.69 -43.22 96.46 Favored Glycine 0 N--CA 1.469 0.888 0 CA-C-N 117.683 0.741 . . . . 0.0 112.188 172.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.0 -35.06 69.34 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 117.384 -1.293 . . . . 0.0 112.199 174.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.69 79.47 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 122.093 2.224 . . . . 0.0 111.309 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 tp -72.05 -44.26 63.62 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 122.345 -0.222 . . . . 0.0 111.198 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.54 -49.27 78.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 120.56 -1.337 . . . . 0.0 114.062 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -30.93 61.8 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 125.555 1.542 . . . . 0.0 112.142 175.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tt -78.12 -39.94 39.68 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.261 1.424 . . . . 0.0 112.852 172.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 53.9 mt -70.41 -34.15 72.18 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.728 -1.233 . . . . 0.0 110.72 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 22.6 m -75.96 -6.89 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.17 -4.79 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-N 121.17 1.804 . . . . 0.0 111.855 169.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 49.85 37.71 0.44 Allowed Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 125.652 1.581 . . . . 0.0 113.956 -166.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -81.92 178.04 6.82 Favored 'Trans proline' 0 C--N 1.359 1.079 0 C-N-CA 122.081 1.854 . . . . 0.0 110.271 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -40.22 -35.64 0.43 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 116.098 1.888 . . . . 0.0 116.098 176.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 24.2 p -54.69 -25.07 24.87 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.689 1.596 . . . . 0.0 114.411 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -46.56 -25.99 0.8 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.407 2.283 . . . . 0.0 114.91 173.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -50.95 -30.49 15.04 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -86.59 7.55 25.84 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -45.98 -39.79 9.49 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.89 1.676 . . . . 0.0 113.529 170.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.74 -22.33 57.49 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 16.7 t -97.31 -44.88 6.71 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.136 0.974 . . . . 0.0 112.181 173.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -61.76 -37.33 83.88 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.21 -106.18 2.96 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.56 1.076 . . . . 0.0 112.802 174.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.25 84.48 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.441 1.497 . . . . 0.0 112.655 177.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 tt -137.32 -19.03 1.26 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.964 1.706 . . . . 0.0 113.439 -174.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.7 t -54.93 -23.9 21.18 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.061 1.345 . . . . 0.0 114.37 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' THR . . . . . 0.549 ' HG1' ' H ' ' B' ' 53' ' ' ALA . 32.4 p -124.95 154.51 71.13 Favored Pre-proline 0 N--CA 1.474 0.735 0 C-N-CA 124.507 1.123 . . . . 0.0 111.299 167.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -55.88 -42.73 64.09 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.099 2.532 . . . . 0.0 114.004 173.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.04 -37.56 83.05 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.445 0.698 . . . . 0.0 111.801 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.549 ' H ' ' HG1' ' B' ' 50' ' ' THR . . . -62.37 -54.72 36.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.589 0.356 . . . . 0.0 111.072 170.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -37.35 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -171.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -71.34 -27.08 63.13 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.457 1.026 . . . . 0.0 113.61 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.6 -1.13 59.02 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 124.388 0.994 . . . . 0.0 114.684 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -74.39 130.38 82.26 Favored Pre-proline 0 CA--C 1.555 1.135 0 C-N-CA 125.342 1.457 . . . . 0.0 112.887 -170.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -67.93 -37.3 15.7 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 123.787 2.991 . . . . 0.0 113.659 -177.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -66.11 -45.56 80.73 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 121.212 -0.93 . . . . 0.0 110.777 174.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 83.6 t -62.03 -46.45 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.724 0.81 . . . . 0.0 111.557 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -66.05 -38.43 88.34 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 119.614 1.097 . . . . 0.0 113.043 176.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.7 -45.25 90.9 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.399 1.0 . . . . 0.0 112.793 173.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -61.85 -35.91 79.66 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.236 -0.915 . . . . 0.0 111.08 173.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.68 -50.37 63.77 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.385 1.469 . . . . 0.0 114.066 166.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -58.61 -42.34 87.97 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.675 1.238 . . . . 0.0 111.508 173.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -63.19 -53.85 46.74 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.971 0.908 . . . . 0.0 112.593 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 18.3 m -57.74 -44.9 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 CA-C-N 119.394 0.997 . . . . 0.0 111.181 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.411 ' HA ' ' CD2' ' B' ' 71' ' ' PHE . 3.3 tt -71.94 -35.66 69.67 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.476 -0.765 . . . . 0.0 112.242 -177.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.61 -42.04 93.95 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.333 0.968 . . . . 0.0 112.303 170.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.32 85.02 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.854 -0.792 . . . . 0.0 113.064 171.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.411 ' CD2' ' HA ' ' B' ' 68' ' ' LEU . 4.4 m-30 -60.57 -35.59 76.44 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.514 -1.366 . . . . 0.0 111.331 170.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -41.42 87.61 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.448 1.099 . . . . 0.0 113.219 171.17 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -57.45 -32.53 67.01 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.453 1.024 . . . . 0.0 111.86 170.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.22 -63.6 4.76 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 123.725 0.679 . . . . 0.0 111.68 166.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.61 -35.15 40.56 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.41 -28.45 62.0 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 176.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.8 49.18 1.49 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.082 1.753 . . . . 0.0 111.424 -169.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.33 -21.54 62.17 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.753 -1.217 . . . . 0.0 113.912 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.18 -19.65 65.47 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 174.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -97.8 -65.84 0.94 Allowed 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 118.981 0.809 . . . . 0.0 112.662 -175.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 46.15 18.12 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 116.969 2.211 . . . . 0.0 116.969 -173.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -138.21 -66.09 0.5 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.269 1.428 . . . . 0.0 111.299 176.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.37 -35.02 77.1 Favored Glycine 0 N--CA 1.479 1.551 0 CA-C-N 118.882 0.764 . . . . 0.0 113.892 177.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.3 p -67.91 -13.82 62.47 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.327 1.851 . . . . 0.0 114.853 173.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -128.9 -4.33 5.13 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.526 1.53 . . . . 0.0 113.931 -174.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.99 -40.9 70.56 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 120.169 1.35 . . . . 0.0 113.414 -173.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 25.0 p -64.55 -36.59 84.72 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.754 1.221 . . . . 0.0 113.017 173.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 71.4 mt -77.17 -37.16 54.32 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.325 1.05 . . . . 0.0 112.04 176.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 4.3 t -61.27 -44.67 96.85 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.521 1.128 . . . . 0.0 110.304 171.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.85 -49.27 78.37 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.244 -0.91 . . . . 0.0 112.343 170.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 49.4 tp -55.64 -53.92 50.55 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.477 1.035 . . . . 0.0 112.116 177.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -82.53 -19.95 37.62 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -170.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 49.5 t -90.68 -64.54 1.12 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.732 0.813 . . . . 0.0 112.074 169.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -75.99 -40.49 53.6 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.49 -1.381 . . . . 0.0 113.223 -169.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.4 -41.49 21.85 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 56.4 mt -114.63 -24.19 8.88 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -171.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 34.11 46.95 0.17 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.792 2.437 . . . . 0.0 114.915 -169.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.58 150.37 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 120.879 -1.138 . . . . 0.0 110.612 -178.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -64.51 141.34 98.21 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 123.614 0.765 . . . . 0.0 112.75 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.65 -28.92 44.11 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.698 2.266 . . . . 0.0 114.108 -171.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -67.35 -27.45 67.14 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.847 -1.158 . . . . 0.0 112.656 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -55.53 -49.99 71.18 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.169 1.387 . . . . 0.0 112.475 173.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -59.29 -46.31 88.89 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.657 1.183 . . . . 0.0 111.384 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -60.54 -44.93 95.55 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.746 0.818 . . . . 0.0 111.698 176.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.35 -46.2 91.22 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 118.567 -0.73 . . . . 0.0 112.007 175.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.99 -41.17 77.92 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.682 1.128 . . . . 0.0 109.82 176.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.45 -55.44 30.44 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 115.029 0.771 . . . . 0.0 115.029 174.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.59 -40.34 94.43 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 118.239 1.02 . . . . 0.0 111.12 177.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 98.0 t -66.72 -36.22 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 O-C-N 121.122 -0.986 . . . . 0.0 111.746 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 14.1 tp -54.45 -55.28 30.45 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.726 1.148 . . . . 0.0 110.602 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.62 -30.08 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.043 0.838 . . . . 0.0 112.873 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 78.3 m -70.76 -46.93 62.05 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 174.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 13.7 p -65.16 -36.53 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 120.012 1.278 . . . . 0.0 111.653 174.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 68.5 mt -58.76 -47.43 84.7 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.506 1.048 . . . . 0.0 110.815 171.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.5 -34.99 77.97 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 175.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . 0.418 ' CE1' ' HA ' ' A' ' 115' ' ' ALA . 11.2 t60 -65.49 -59.1 4.35 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.769 1.168 . . . . 0.0 112.005 169.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -65.39 -21.99 66.74 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -168.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -131.27 43.55 3.07 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.152 1.781 . . . . 0.0 111.228 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.3 -32.54 37.16 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.075 1.322 . . . . 0.0 116.202 -176.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -71.32 -8.83 56.32 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 118.783 1.291 . . . . 0.0 114.34 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -130.45 5.13 4.74 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.102 1.761 . . . . 0.0 113.193 -170.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.46 33.47 0.05 Allowed 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 -169.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' THR . . . . . 0.577 ' HG1' ' H ' ' B' ' 126' ' ' VAL . 17.6 p -43.65 148.51 0.71 Allowed Pre-proline 0 N--CA 1.486 1.344 0 C-N-CA 125.139 1.376 . . . . 0.0 113.983 -167.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -45.66 -48.16 12.53 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 121.911 1.741 . . . . 0.0 114.426 174.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.07 -30.31 56.21 Favored 'Trans proline' 0 C--N 1.353 0.801 0 CA-C-O 116.9 -1.375 . . . . 0.0 114.043 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . 0.577 ' H ' ' HG1' ' B' ' 123' ' ' THR . 0.3 OUTLIER -63.16 -40.21 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 122.683 2.492 . . . . 0.0 112.589 177.595 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -60.59 -54.23 47.95 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.948 0.499 . . . . 0.0 110.052 172.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.1 -36.8 82.8 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -177.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.42 -53.28 45.37 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.552 1.141 . . . . 0.0 111.528 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -56.07 -47.55 77.75 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 118.962 -0.542 . . . . 0.0 111.154 169.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -56.48 -40.31 74.69 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.78 0.718 . . . . 0.0 112.706 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -71.41 -33.1 69.14 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 120.014 1.279 . . . . 0.0 113.773 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 62.4 t -63.69 -50.87 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 CA-C-N 119.686 1.13 . . . . 0.0 109.664 168.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 12.0 t -61.86 -44.05 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 125.949 1.7 . . . . 0.0 112.725 -176.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.03 97.27 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.398 0.999 . . . . 0.0 111.789 175.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.13 -44.99 88.57 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 123.319 0.485 . . . . 0.0 112.577 168.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.59 -44.18 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.731 1.212 . . . . 0.0 113.323 175.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.69 93.69 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.2 0.909 . . . . 0.0 110.679 176.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -61.35 -40.19 93.38 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.418 0.687 . . . . 0.0 112.105 174.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.63 -45.12 91.7 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.217 1.007 . . . . 0.0 112.606 173.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.77 -24.43 63.51 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.605 -1.309 . . . . 0.0 112.332 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.63 -11.79 59.91 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 167.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -57.15 -43.7 82.75 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.162 -1.586 . . . . 0.0 113.474 -173.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -65.34 -7.84 15.44 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 176.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 . . . . . 0 N--CA 1.475 0.818 0 CA-C-N 120.343 1.429 . . . . 0.0 112.256 175.828 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.258 5.0 p . . . . . 0 N--CA 1.514 2.768 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 45.5 mt -137.13 172.61 12.75 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.716 1.606 . . . . 0.0 111.077 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.81 170.25 6.82 Favored Pre-proline 0 N--CA 1.475 0.787 0 C-N-CA 125.81 1.644 . . . . 0.0 110.654 -176.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -78.95 -40.77 0.26 Allowed 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 122.525 2.15 . . . . 0.0 112.837 176.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.09 -30.4 69.57 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -177.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -43.69 98.4 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.869 0.759 . . . . 0.0 110.743 174.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -54.72 -49.57 70.43 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.798 0.839 . . . . 0.0 111.137 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 64.5 m -58.06 -43.86 87.14 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.614 0.766 . . . . 0.0 111.538 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -69.11 -35.03 76.0 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.72 -0.613 . . . . 0.0 112.646 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.26 -49.96 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 119.055 0.843 . . . . 0.0 110.997 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -58.77 -44.13 90.57 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.059 0.845 . . . . 0.0 111.351 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.24 -51.43 69.39 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.267 0.627 . . . . 0.0 111.862 175.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.02 -53.93 48.61 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.796 0.726 . . . . 0.0 112.346 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -62.25 -27.46 69.02 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.663 0.785 . . . . 0.0 112.861 -177.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.39 -36.89 93.99 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.186 0.898 . . . . 0.0 113.708 170.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -74.92 -35.09 62.2 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 118.354 1.077 . . . . 0.0 111.74 172.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.29 -50.88 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.957 0.903 . . . . 0.0 111.183 174.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.67 -133.87 9.06 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.223 0.916 . . . . 0.0 113.946 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.85 -22.19 46.66 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -70.7 -7.24 43.2 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 175.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.49 -43.4 55.55 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.813 -1.179 . . . . 0.0 112.716 176.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.29 -48.34 75.44 Favored Glycine 0 C--N 1.341 0.81 0 C-N-CA 123.436 0.541 . . . . 0.0 113.594 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -66.76 -35.22 79.6 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.149 0.975 . . . . 0.0 111.814 177.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -65.84 -35.62 81.16 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.212 0.914 . . . . 0.0 112.538 173.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.1 -46.78 69.26 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-N 119.27 0.941 . . . . 0.0 112.54 171.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.56 75.17 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.894 0.878 . . . . 0.0 111.578 175.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -55.02 -48.85 72.82 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 125.33 1.452 . . . . 0.0 111.976 170.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.76 -37.98 88.76 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.784 0.72 . . . . 0.0 112.772 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.36 -51.54 65.46 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.352 1.061 . . . . 0.0 111.661 173.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -54.97 -53.27 57.82 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.635 -0.666 . . . . 0.0 111.597 173.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 78.4 mtt-85 -52.4 -40.42 62.08 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.716 1.206 . . . . 0.0 112.295 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 7.4 tmm? -60.27 -47.54 85.56 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.967 0.803 . . . . 0.0 112.004 173.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -61.94 -37.71 85.73 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.348 0.977 . . . . 0.0 113.575 -177.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.27 -35.5 15.26 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 178.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 63.3 m -71.1 -15.98 62.55 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.821 1.192 . . . . 0.0 113.181 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -142.32 79.45 15.74 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 125.171 1.389 . . . . 0.0 109.737 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -49.69 -28.02 16.37 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 123.958 3.105 . . . . 0.0 115.273 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.89 -32.09 8.34 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.947 1.699 . . . . 0.0 114.131 171.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.56 -18.11 58.85 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 177.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -60.71 -27.67 68.07 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 120.485 1.493 . . . . 0.0 114.202 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 13.9 t -57.31 -28.95 63.52 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 173.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -32.9 74.47 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -175.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 14.4 t80 5.22 77.55 0.05 OUTLIER Pre-proline 0 N--CA 1.48 1.031 0 C-N-CA 128.732 2.813 . . . . 0.0 114.548 172.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -64.15 -56.91 0.39 Allowed 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.109 1.872 . . . . 0.0 111.867 -172.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -169.36 10.06 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 126.548 1.939 . . . . 0.0 113.597 173.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.29 140.87 41.73 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 120.771 -1.205 . . . . 0.0 112.997 -167.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.14 -42.28 76.19 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 mt 47.07 26.45 0.63 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 126.035 1.734 . . . . 0.0 114.603 -172.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 62.2 m -74.45 28.14 0.08 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.162 2.185 . . . . 0.0 115.26 -175.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 74.4 t60 62.13 136.31 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.984 2.513 . . . . 0.0 113.949 -166.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.78 16.92 64.36 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.113 0.864 . . . . 0.0 114.907 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 48.8 m -55.48 112.04 1.03 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.884 2.074 . . . . 0.0 114.264 -170.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.69 -36.44 64.66 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -176.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.17 -35.78 81.9 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.511 -0.743 . . . . 0.0 112.753 175.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.97 -35.95 66.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 O-C-N 121.469 -0.769 . . . . 0.0 110.94 174.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -63.14 -48.97 76.21 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 119.236 0.925 . . . . 0.0 111.586 172.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.25 -52.64 48.14 Favored Glycine 0 N--CA 1.472 1.06 0 C-N-CA 124.232 0.92 . . . . 0.0 112.796 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -55.91 -43.56 77.43 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 117.828 0.814 . . . . 0.0 111.472 172.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.12 -50.53 55.14 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 124.353 0.978 . . . . 0.0 113.798 171.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -57.05 -41.5 78.8 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.146 1.473 . . . . 0.0 112.753 171.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -69.31 -44.92 70.77 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.805 0.729 . . . . 0.0 111.501 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 78.6 t -53.95 -48.0 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.309 1.043 . . . . 0.0 110.449 168.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.89 -46.73 88.13 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.71 -42.71 99.79 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.126 0.97 . . . . 0.0 111.363 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.01 -40.38 80.64 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.744 0.817 . . . . 0.0 112.893 169.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -44.14 85.34 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.55 -0.719 . . . . 0.0 111.7 172.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 65.4 m -57.6 -41.91 82.16 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.072 1.305 . . . . 0.0 112.013 172.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -58.32 -46.33 86.38 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.878 0.871 . . . . 0.0 111.444 170.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.65 -45.04 86.0 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 118.585 -0.722 . . . . 0.0 112.742 172.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 79.8 t -61.4 -45.09 99.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 120.104 1.32 . . . . 0.0 111.63 175.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.9 -23.91 66.74 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.003 1.321 . . . . 0.0 113.992 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -132.16 32.07 4.04 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.176 1.39 . . . . 0.0 111.671 -173.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.06 -18.83 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -164.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -102.52 -1.99 29.44 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.712 1.205 . . . . 0.0 114.019 173.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -127.74 -3.17 5.96 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 127.39 2.276 . . . . 0.0 113.096 -176.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -62.17 -18.97 0.48 Allowed Pre-proline 0 CA--C 1.545 0.78 0 N-CA-C 118.323 2.712 . . . . 0.0 118.323 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -43.22 -24.3 0.51 Allowed 'Trans proline' 0 C--N 1.362 1.286 0 C-N-CA 124.395 3.397 . . . . 0.0 118.063 174.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -118.32 -22.11 7.81 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 167.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.52 -18.73 64.13 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 120.497 1.499 . . . . 0.0 114.925 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 54.1 mt -101.23 3.94 41.39 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.212 1.005 . . . . 0.0 113.204 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 31.4 t -56.85 -36.56 70.16 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 120.193 1.36 . . . . 0.0 114.523 -169.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.7 -34.03 72.36 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.072 -1.018 . . . . 0.0 112.547 173.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 9.5 mt -76.56 -41.28 47.07 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.027 0.931 . . . . 0.0 110.518 174.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 5.2 m -58.91 -40.5 84.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.403 0.547 . . . . 0.0 112.156 175.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.01 -50.46 73.3 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.139 0.976 . . . . 0.0 112.071 172.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tp -49.02 -56.34 9.26 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.751 0.82 . . . . 0.0 111.02 171.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -69.23 -42.99 74.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 118.406 -0.807 . . . . 0.0 112.437 -174.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.19 -14.12 59.27 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -124.51 -47.69 1.84 Allowed 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.633 1.106 . . . . 0.0 113.691 -172.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -65.44 -44.46 87.25 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-N 119.442 1.019 . . . . 0.0 113.141 -171.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 mp -130.52 1.68 4.53 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.723 1.209 . . . . 0.0 113.459 172.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.88 47.07 12.31 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 126.272 1.829 . . . . 0.0 112.776 -171.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 60.8 t -49.33 123.99 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 127.573 2.349 . . . . 0.0 111.376 -176.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -70.94 119.18 71.68 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 126.927 2.091 . . . . 0.0 112.672 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -46.23 -32.15 10.06 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 124.852 3.701 . . . . 0.0 116.412 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 96' ' ' VAL . . . . . 0.433 HG12 HD21 ' C' ' 97' ' ' ASN . 8.8 p -51.21 -38.71 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 O-C-N 120.717 -1.239 . . . . 0.0 112.753 172.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 97' ' ' ASN . . . . . 0.433 HD21 HG12 ' C' ' 96' ' ' VAL . 0.9 OUTLIER -61.17 -37.61 83.52 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.564 1.074 . . . . 0.0 111.598 178.568 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -43.17 87.71 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.128 172.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -55.02 -41.91 71.92 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.455 0.702 . . . . 0.0 110.348 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.48 -59.17 5.83 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.652 1.181 . . . . 0.0 110.764 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -30.16 71.17 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.557 -0.714 . . . . 0.0 112.221 -178.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 47.9 t -60.42 -51.23 70.36 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.43 1.492 . . . . 0.0 112.458 173.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -57.26 -42.14 81.01 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.713 -0.617 . . . . 0.0 111.065 171.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 83.7 m -67.22 -34.83 78.3 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.87 -51.18 68.0 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.534 1.134 . . . . 0.0 110.077 170.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 5.7 mt -51.22 -44.82 61.75 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.373 0.669 . . . . 0.0 111.994 172.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.05 -48.3 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.718 0.807 . . . . 0.0 112.858 171.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.61 -36.29 83.31 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 120.171 1.35 . . . . 0.0 113.634 176.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.59 -47.14 82.69 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 120.076 1.307 . . . . 0.0 110.15 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.44 -39.06 56.64 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.326 1.05 . . . . 0.0 113.572 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.37 -11.85 60.36 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 116.512 2.041 . . . . 0.0 116.512 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -127.69 -27.05 2.88 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -171.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.67 179.17 2.03 Favored Pre-proline 0 CA--C 1.56 1.359 0 C-N-CA 124.348 1.059 . . . . 0.0 110.412 170.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -54.71 -147.23 0.0 OUTLIER 'Trans proline' 0 CA--C 1.551 1.335 1 C-N-CA 125.65 4.233 . . . . 0.0 115.14 164.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . 0.418 ' HA ' ' CE1' ' D' ' 116' ' ' HIS . . . -63.01 50.58 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.488 1.915 . . . . 0.0 114.431 170.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -46.65 -34.49 5.09 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 128.676 2.79 . . . . 0.0 115.113 -164.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -73.43 48.91 0.26 Allowed 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 121.859 0.838 . . . . 0.0 112.012 165.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.1 164.54 34.94 Favored Pre-proline 0 N--CA 1.478 0.956 0 O-C-N 120.532 -1.355 . . . . 0.0 108.993 170.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -57.15 -55.08 2.84 Favored 'Trans proline' 0 C--N 1.346 0.435 0 CA-C-N 120.85 1.339 . . . . 0.0 112.049 172.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.74 -29.33 65.54 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -175.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 61.5 t -87.53 -43.26 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-O 118.448 -0.787 . . . . 0.0 111.021 -177.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -65.77 -53.35 41.65 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 120.089 1.313 . . . . 0.0 111.205 175.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.7 -1.67 7.49 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 16.3 t -92.85 -61.6 1.55 Allowed 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.975 0.91 . . . . 0.0 110.257 164.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.12 -37.95 84.61 Favored 'General case' 0 C--N 1.338 0.066 0 CA-C-O 117.866 -1.064 . . . . 0.0 113.85 -171.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.54 -51.21 70.82 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.955 1.252 . . . . 0.0 111.277 178.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -28.74 53.44 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -60.58 -57.19 13.78 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.44 1.018 . . . . 0.0 110.157 168.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.68 -38.0 86.18 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.87 0.759 . . . . 0.0 111.383 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.93 -44.48 82.53 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.736 1.153 . . . . 0.0 112.288 170.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 35.3 t -63.02 -42.4 99.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.165 0.893 . . . . 0.0 113.164 171.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 93.5 t -52.07 -49.98 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-O 118.345 -0.836 . . . . 0.0 109.559 171.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 33.3 t -58.52 -54.85 42.39 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-O 118.251 -0.881 . . . . 0.0 112.891 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 93.3 m -49.43 -35.49 19.4 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.784 1.175 . . . . 0.0 112.474 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 49.7 t -75.43 -50.38 24.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 124.219 1.007 . . . . 0.0 112.176 172.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -10.26 7.67 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.124 1.77 . . . . 0.0 114.601 175.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 38.6 p -119.55 2.23 11.2 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 127.002 2.121 . . . . 0.0 111.439 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 CA--C 1.54 0.576 0 C-N-CA 125.272 1.429 . . . . 0.0 112.71 170.342 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.305 2.4 p . . . . . 0 N--CA 1.505 2.322 0 CA-C-O 116.924 -1.512 . . . . 0.0 112.773 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 71.3 t60 22.79 77.07 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 127.633 2.373 . . . . 0.0 116.095 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.22 161.37 19.44 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.452 0.701 . . . . 0.0 110.854 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.519 ' HG1' ' H ' ' D' ' 7' ' ' GLU . 6.5 p -67.56 157.75 84.89 Favored Pre-proline 0 N--CA 1.481 1.08 0 O-C-N 121.444 -0.785 . . . . 0.0 109.832 158.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -53.66 -38.98 84.84 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.456 2.104 . . . . 0.0 113.38 172.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -70.56 -42.94 70.46 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.508 1.123 . . . . 0.0 112.002 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 7' ' ' GLU . . . . . 0.519 ' H ' ' HG1' ' D' ' 4' ' ' THR . 80.4 mt-10 -61.07 -43.0 99.54 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.516 -0.74 . . . . 0.0 111.387 170.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -60.22 -48.33 82.17 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.955 0.798 . . . . 0.0 110.868 176.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 51.1 m -55.23 -42.16 73.02 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 118.743 -0.646 . . . . 0.0 111.826 174.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.53 -56.58 20.33 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.16 0.891 . . . . 0.0 112.396 174.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.53 -52.96 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-N 119.5 1.045 . . . . 0.0 111.887 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -71.12 -34.2 70.83 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 119.117 0.872 . . . . 0.0 112.452 -170.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.91 -36.43 78.0 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 120.096 1.316 . . . . 0.0 112.347 173.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -68.17 -42.31 80.21 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.499 -0.75 . . . . 0.0 110.533 172.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -51.26 -44.24 61.73 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.607 0.763 . . . . 0.0 111.134 168.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.88 -12.59 15.38 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 127.055 2.264 . . . . 0.0 116.953 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.3 -2.07 7.56 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 119.479 1.639 . . . . 0.0 114.268 165.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.447 HG22 HG12 ' D' ' 23' ' ' VAL . 0.4 OUTLIER -58.24 139.9 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 123.978 0.911 . . . . 0.0 111.894 -178.592 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -84.81 77.91 9.99 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.741 0.816 . . . . 0.0 109.555 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 57.8 t -48.89 -35.9 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 124.606 1.163 . . . . 0.0 113.584 -171.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -85.32 -5.09 59.34 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.806 2.042 . . . . 0.0 115.885 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -120.28 -52.84 2.15 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.018 1.327 . . . . 0.0 110.291 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . 0.447 HG12 HG22 ' D' ' 18' ' ' VAL . 0.3 OUTLIER -57.73 -32.51 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 O-C-N 121.169 -0.957 . . . . 0.0 111.949 172.208 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.86 -45.32 21.73 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-N 119.294 0.952 . . . . 0.0 112.136 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.89 -42.99 96.98 Favored Glycine 0 N--CA 1.469 0.88 0 CA-C-N 117.656 0.728 . . . . 0.0 112.24 172.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.96 -35.06 69.43 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-O 117.253 -1.356 . . . . 0.0 112.208 174.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.08 -48.85 78.88 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 122.137 2.244 . . . . 0.0 111.253 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 tp -71.7 -44.41 64.24 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 122.435 -0.166 . . . . 0.0 111.185 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.68 -49.29 77.93 Favored Glycine 0 N--CA 1.471 1.017 0 O-C-N 120.634 -1.291 . . . . 0.0 113.887 176.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -31.05 61.63 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 125.635 1.574 . . . . 0.0 112.182 175.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tt -77.84 -40.34 40.59 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.323 1.449 . . . . 0.0 112.911 171.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 53.2 mt -70.08 -34.54 73.31 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.675 -1.265 . . . . 0.0 110.649 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 22.4 m -75.82 -6.61 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.29 -4.72 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-N 121.149 1.795 . . . . 0.0 111.883 169.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 49.79 37.77 0.44 Allowed Pre-proline 0 CA--C 1.555 1.137 0 C-N-CA 125.725 1.61 . . . . 0.0 113.812 -166.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -81.86 178.16 6.74 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 122.075 1.85 . . . . 0.0 110.206 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -40.32 -35.53 0.43 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 176.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 23.7 p -54.75 -25.19 26.22 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.692 1.597 . . . . 0.0 114.408 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -46.44 -25.94 0.76 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.327 2.251 . . . . 0.0 115.068 173.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -51.02 -30.58 15.72 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 175.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -86.49 7.54 25.57 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -45.98 -39.84 9.57 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.887 1.675 . . . . 0.0 113.484 170.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.69 -22.42 57.16 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 174.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 16.7 t -97.35 -44.74 6.75 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.052 0.941 . . . . 0.0 112.21 173.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -61.75 -37.32 83.81 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.13 -106.11 2.95 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.556 1.074 . . . . 0.0 112.856 174.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.22 84.33 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.465 1.506 . . . . 0.0 112.624 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 tt -137.18 -19.03 1.28 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.911 1.685 . . . . 0.0 113.468 -174.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 8.7 t -54.84 -23.9 20.52 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.985 1.314 . . . . 0.0 114.381 -173.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 50' ' ' THR . . . . . 0.567 ' HG1' ' H ' ' D' ' 53' ' ' ALA . 32.6 p -124.98 154.45 71.22 Favored Pre-proline 0 N--CA 1.472 0.664 0 C-N-CA 124.447 1.099 . . . . 0.0 111.371 167.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -56.0 -42.6 65.06 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.074 2.516 . . . . 0.0 114.057 173.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -61.02 -37.56 83.0 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.465 0.706 . . . . 0.0 111.744 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 53' ' ' ALA . . . . . 0.567 ' H ' ' HG1' ' D' ' 50' ' ' THR . . . -62.39 -54.67 36.9 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.669 0.388 . . . . 0.0 111.079 170.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.84 -37.41 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -171.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -71.17 -27.28 63.41 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.396 0.998 . . . . 0.0 113.646 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.54 -0.99 59.13 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.315 0.96 . . . . 0.0 114.729 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -74.53 130.3 82.13 Favored Pre-proline 0 CA--C 1.556 1.196 0 C-N-CA 125.357 1.463 . . . . 0.0 112.935 -170.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -67.79 -37.4 16.05 Favored 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 123.749 2.966 . . . . 0.0 113.565 -177.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -66.14 -45.55 80.61 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.3 -0.875 . . . . 0.0 110.854 174.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 83.6 t -61.95 -46.51 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.848 0.859 . . . . 0.0 111.559 178.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -66.02 -38.45 88.46 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 119.624 1.102 . . . . 0.0 113.048 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.77 -45.07 91.43 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.42 1.009 . . . . 0.0 112.832 173.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -61.81 -36.13 80.22 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.258 -0.901 . . . . 0.0 111.084 173.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.41 -50.53 62.01 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 125.564 1.554 . . . . 0.0 114.154 166.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -58.71 -42.2 88.13 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.678 1.239 . . . . 0.0 111.573 173.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -63.15 -53.97 44.99 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.98 0.912 . . . . 0.0 112.641 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 18.0 m -57.66 -44.94 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 119.429 1.013 . . . . 0.0 111.089 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . 0.405 ' HA ' ' CD2' ' D' ' 71' ' ' PHE . 3.3 tt -71.89 -35.68 69.81 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.468 -0.77 . . . . 0.0 112.301 -177.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.58 -42.1 93.92 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.465 1.031 . . . . 0.0 112.294 170.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.35 -37.28 84.96 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 117.845 0.823 . . . . 0.0 113.109 171.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . 0.405 ' CD2' ' HA ' ' D' ' 68' ' ' LEU . 4.3 m-30 -60.62 -35.43 76.13 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.634 -1.291 . . . . 0.0 111.494 170.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -41.53 87.46 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.532 1.133 . . . . 0.0 113.169 171.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -57.39 -32.54 66.92 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.445 1.021 . . . . 0.0 111.911 170.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.23 -63.59 4.77 Favored Glycine 0 C--N 1.34 0.783 0 C-N-CA 123.807 0.717 . . . . 0.0 111.649 166.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 18.3 mt -51.65 -35.17 41.19 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -178.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.43 -28.42 61.97 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 176.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.92 49.26 1.48 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.148 1.779 . . . . 0.0 111.442 -169.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.27 -21.57 62.08 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.814 -1.179 . . . . 0.0 113.949 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.07 -19.79 65.49 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 174.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -97.79 -65.82 0.94 Allowed 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 118.976 0.807 . . . . 0.0 112.716 -175.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 46.16 18.01 0.05 OUTLIER 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -173.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -138.14 -66.14 0.5 Allowed 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.176 1.391 . . . . 0.0 111.327 176.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.15 -35.07 75.73 Favored Glycine 0 N--CA 1.48 1.625 0 CA-C-N 118.943 0.792 . . . . 0.0 113.98 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.2 p -68.0 -13.73 62.41 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.114 1.766 . . . . 0.0 114.938 173.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -128.87 -4.26 5.15 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.399 1.48 . . . . 0.0 113.972 -174.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.95 -40.83 70.38 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 120.232 1.378 . . . . 0.0 113.406 -173.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 25.2 p -64.59 -36.77 85.32 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.75 1.22 . . . . 0.0 112.885 173.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 72.4 mt -77.23 -36.97 54.2 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.121 0.968 . . . . 0.0 112.02 177.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 4.3 t -61.4 -44.57 96.91 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.464 1.106 . . . . 0.0 110.336 171.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.71 -49.24 78.5 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.212 -0.93 . . . . 0.0 112.463 170.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 48.0 tp -55.84 -53.94 50.63 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.382 0.992 . . . . 0.0 112.002 177.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -82.51 -19.95 37.71 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -171.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 49.1 t -90.64 -64.59 1.11 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.712 0.805 . . . . 0.0 112.107 169.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -75.94 -40.39 54.18 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.609 -1.307 . . . . 0.0 113.299 -169.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.5 -41.4 21.78 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 56.2 mt -114.68 -24.22 8.85 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -171.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 34.09 46.97 0.17 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.852 2.461 . . . . 0.0 114.863 -169.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.43 150.2 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 120.947 -1.096 . . . . 0.0 110.692 -178.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -64.5 141.32 98.2 Favored Pre-proline 0 CA--C 1.55 0.979 0 O-C-N 121.426 -0.796 . . . . 0.0 112.749 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.54 -28.95 44.94 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.676 2.25 . . . . 0.0 114.1 -171.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -67.33 -27.54 67.23 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.898 -1.126 . . . . 0.0 112.62 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -55.35 -50.06 70.64 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.133 1.373 . . . . 0.0 112.535 173.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -59.2 -46.53 88.19 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.724 1.209 . . . . 0.0 111.35 177.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -60.18 -45.37 93.35 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.76 0.824 . . . . 0.0 111.611 176.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 6.1 mp -61.0 -46.36 91.07 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 118.442 -0.79 . . . . 0.0 112.072 175.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.87 -41.21 77.58 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.779 1.172 . . . . 0.0 109.908 176.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.06 -56.73 23.47 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 114.908 0.723 . . . . 0.0 114.908 173.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.59 -40.03 90.23 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 118.161 0.98 . . . . 0.0 111.119 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 98.2 t -67.06 -36.33 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 O-C-N 121.123 -0.986 . . . . 0.0 111.654 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 14.1 tp -54.49 -54.71 37.4 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.754 1.161 . . . . 0.0 110.559 174.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 33.1 m -61.07 -29.36 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-N 118.821 0.737 . . . . 0.0 112.823 178.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 83.1 m -71.36 -46.73 59.72 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 174.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 12.7 p -65.46 -36.83 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 119.841 1.201 . . . . 0.0 111.563 174.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 66.5 mt -58.44 -47.77 82.89 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.641 1.11 . . . . 0.0 110.743 171.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.11 -35.07 77.59 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 175.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 116' ' ' HIS . . . . . 0.418 ' CE1' ' HA ' ' C' ' 115' ' ' ALA . 11.0 t60 -65.46 -59.01 4.45 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.7 1.136 . . . . 0.0 111.984 169.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -65.41 -22.04 66.73 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -168.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -131.37 43.39 3.08 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.195 1.798 . . . . 0.0 111.134 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.06 -32.51 35.29 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.06 1.314 . . . . 0.0 116.264 -177.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -71.47 -8.84 56.47 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 118.823 1.312 . . . . 0.0 114.39 173.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -130.39 5.14 4.77 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.137 1.775 . . . . 0.0 113.22 -170.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.42 33.51 0.05 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 -168.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 123' ' ' THR . . . . . 0.566 ' HG1' ' H ' ' D' ' 126' ' ' VAL . 17.2 p -44.07 148.74 0.76 Allowed Pre-proline 0 N--CA 1.484 1.237 0 C-N-CA 124.998 1.319 . . . . 0.0 114.042 -167.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -45.81 -48.06 12.96 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 121.933 1.755 . . . . 0.0 114.459 174.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.19 -29.66 55.54 Favored 'Trans proline' 0 C--N 1.353 0.789 0 CA-C-O 116.948 -1.355 . . . . 0.0 113.913 174.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 126' ' ' VAL . . . . . 0.566 ' H ' ' HG1' ' D' ' 123' ' ' THR . 0.3 OUTLIER -63.74 -40.24 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 122.542 2.428 . . . . 0.0 112.493 177.735 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -60.76 -54.17 48.5 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.011 0.525 . . . . 0.0 110.026 172.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.06 -37.13 83.82 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 113.321 0.859 . . . . 0.0 113.321 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.23 -52.78 52.37 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.537 1.135 . . . . 0.0 111.553 -178.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -56.78 -47.28 80.51 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.85 -0.531 . . . . 0.0 111.058 169.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -56.66 -40.35 75.32 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.889 0.768 . . . . 0.0 112.764 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -71.06 -33.76 70.57 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.009 1.277 . . . . 0.0 113.699 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.15 -51.0 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-N 119.745 1.157 . . . . 0.0 109.787 168.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 11.7 t -61.93 -43.51 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 C-N-CA 125.834 1.653 . . . . 0.0 112.832 -176.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.0 97.97 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.389 0.995 . . . . 0.0 111.657 175.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.24 -44.76 89.16 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 123.426 0.536 . . . . 0.0 112.562 168.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.63 -44.3 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.732 1.213 . . . . 0.0 113.303 175.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.7 94.07 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.061 0.846 . . . . 0.0 110.696 176.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -61.52 -39.93 92.81 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.169 0.588 . . . . 0.0 112.243 175.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.57 -45.25 91.32 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.163 0.985 . . . . 0.0 112.579 173.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.81 -24.39 63.47 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.625 -1.297 . . . . 0.0 112.374 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.49 -11.87 59.95 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 167.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -57.07 -43.72 82.37 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.036 -1.665 . . . . 0.0 113.42 -173.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -65.38 -7.75 15.25 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.043 1.498 . . . . 0.0 115.043 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -67.7 -18.05 64.78 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.365 1.439 . . . . 0.0 112.287 175.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 34.0 m80 . . . . . 0 C--O 1.251 1.175 0 C-N-CA 125.411 1.485 . . . . 0.0 112.951 -162.494 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.519 2.979 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.2 mt -148.47 -167.28 2.77 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 126.37 1.868 . . . . 0.0 110.999 -170.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.36 152.35 64.24 Favored Pre-proline 0 N--CA 1.487 1.386 0 CA-C-N 119.992 1.269 . . . . 0.0 112.966 -175.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -67.6 -50.34 0.94 Allowed 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.399 2.733 . . . . 0.0 112.748 -174.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.38 87.27 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 122.734 0.414 . . . . 0.0 111.222 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -53.57 55.91 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 124.304 1.042 . . . . 0.0 113.17 178.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -55.29 -46.58 76.19 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.376 173.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.9 m -56.02 -45.19 79.21 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.981 1.264 . . . . 0.0 112.718 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -62.78 -42.23 99.6 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.242 -0.912 . . . . 0.0 112.248 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.6 t -73.71 -37.99 50.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-O 118.498 -0.763 . . . . 0.0 111.458 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -56.08 -48.09 76.75 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.518 1.054 . . . . 0.0 110.948 167.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.76 -51.96 67.52 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.119 0.568 . . . . 0.0 111.793 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.18 -54.1 47.59 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.547 0.739 . . . . 0.0 111.702 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -62.35 -26.97 68.74 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.71 -42.67 97.1 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.792 1.187 . . . . 0.0 113.421 170.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -70.22 -37.03 74.93 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 118.547 1.173 . . . . 0.0 111.034 173.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.36 -50.71 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.862 1.265 . . . . 0.0 111.234 175.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.71 -134.01 11.32 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 123.977 0.799 . . . . 0.0 114.047 176.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.68 -22.29 56.75 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -70.88 -8.88 55.98 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.96 -49.74 20.17 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.177 0.899 . . . . 0.0 112.552 177.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.98 -38.45 95.49 Favored Glycine 0 C--N 1.339 0.731 0 CA-C-O 119.125 -0.819 . . . . 0.0 113.892 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -66.25 -42.94 87.87 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.492 1.146 . . . . 0.0 111.074 174.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -62.92 -37.13 85.74 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.204 -0.935 . . . . 0.0 112.056 174.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.93 -46.87 92.67 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-N 118.851 0.751 . . . . 0.0 112.656 170.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.2 -45.8 86.74 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.354 1.077 . . . . 0.0 112.227 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -60.11 -41.72 93.19 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.861 0.864 . . . . 0.0 111.283 172.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.457 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -63.68 -40.91 98.0 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 178.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.42 -52.14 64.72 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.131 0.972 . . . . 0.0 111.442 171.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -60.05 -42.27 94.11 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.095 0.862 . . . . 0.0 112.946 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -59.76 -45.0 93.59 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 118.557 -0.735 . . . . 0.0 111.064 172.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.3 tmm? -59.56 -47.74 84.38 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.46 1.027 . . . . 0.0 111.709 175.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -58.44 -41.35 84.88 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.44 -36.47 29.36 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 118.832 0.742 . . . . 0.0 112.311 178.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 t -71.2 -33.92 70.38 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.758 0.823 . . . . 0.0 112.77 -175.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -128.12 85.83 59.56 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.801 1.64 . . . . 0.0 108.769 176.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.46 -18.73 5.96 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 123.742 2.961 . . . . 0.0 114.675 173.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.56 -21.41 2.5 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.236 2.214 . . . . 0.0 115.124 165.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.6 p -86.34 -20.49 28.24 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.864 1.211 . . . . 0.0 113.228 174.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -54.05 -38.35 65.14 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.427 1.091 . . . . 0.0 113.154 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 t -53.54 -30.64 42.79 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 178.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -58.45 -32.44 68.72 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 118.069 -0.967 . . . . 0.0 113.091 176.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.5 t80 11.25 67.99 0.09 OUTLIER Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 129.201 3.0 . . . . 0.0 114.984 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -80.88 38.2 0.74 Allowed 'Trans proline' 0 CA--C 1.548 1.183 0 C-N-CA 123.589 2.859 . . . . 0.0 113.774 -158.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.296 0.7 OUTLIER 92.57 8.04 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.414 1 C-N-CA 131.815 4.046 . . . . 0.0 113.672 -170.311 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -71.52 -177.7 1.93 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.051 1.74 . . . . 0.0 114.584 -175.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -130.03 -41.95 1.26 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.14 0.976 . . . . 0.0 113.585 -173.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.4 mt 54.58 17.56 1.7 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 126.851 2.06 . . . . 0.0 116.089 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.7 m -72.73 21.29 0.07 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 126.671 1.989 . . . . 0.0 115.804 -176.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 63.39 142.16 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.804 2.442 . . . . 0.0 112.91 -164.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.15 20.99 73.54 Favored Glycine 0 CA--C 1.54 1.61 0 O-C-N 121.08 -1.012 . . . . 0.0 115.112 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.5 t -62.91 114.5 3.69 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 118.506 1.153 . . . . 0.0 113.248 -176.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.3 -33.86 63.64 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.655 1.182 . . . . 0.0 112.746 171.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -67.41 -41.18 85.32 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.31 1.044 . . . . 0.0 111.314 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.19 -38.0 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.682 -0.636 . . . . 0.0 111.462 172.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -62.19 -48.48 79.87 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 119.311 0.959 . . . . 0.0 111.174 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.17 -44.3 98.31 Favored Glycine 0 N--CA 1.472 1.053 0 C-N-CA 124.281 0.943 . . . . 0.0 113.121 177.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -61.0 -42.77 99.08 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.502 -0.999 . . . . 0.0 111.782 173.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.405 ' O ' ' HB1' ' A' ' 63' ' ' ALA . . . -58.36 -48.53 83.28 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 124.197 0.903 . . . . 0.0 113.204 172.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -55.25 -40.88 71.45 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.239 1.015 . . . . 0.0 112.164 172.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -65.24 -51.4 61.13 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 173.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.7 t -55.65 -43.21 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-N 120.372 1.442 . . . . 0.0 111.046 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' A' ' 59' ' ' GLY . . . -63.52 -51.0 67.37 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 176.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -61.84 -29.93 70.51 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.489 -0.757 . . . . 0.0 112.046 176.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.89 -36.04 81.39 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.133 -0.979 . . . . 0.0 113.226 168.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.57 -39.16 88.34 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.354 0.979 . . . . 0.0 111.696 168.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.1 m -58.72 -48.72 80.18 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.915 1.234 . . . . 0.0 111.725 169.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -61.1 -37.99 84.71 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.9 1.68 . . . . 0.0 112.919 175.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.01 -61.0 2.87 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.147 0.885 . . . . 0.0 110.129 165.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.0 t -51.47 -37.42 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.067 1.347 . . . . 0.0 113.095 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.99 -26.59 65.1 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -134.94 15.95 3.55 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.817 1.247 . . . . 0.0 113.346 -169.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.5 p -60.24 -30.1 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.056 1.342 . . . . 0.0 114.488 -165.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -61.07 -16.31 42.4 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.755 1.222 . . . . 0.0 113.737 172.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -136.94 28.13 2.9 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 128.317 2.647 . . . . 0.0 110.947 -176.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.5 ttp -50.94 -36.41 24.65 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 116.717 2.118 . . . . 0.0 116.717 -173.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -64.39 36.42 0.1 Allowed 'Trans proline' 0 CA--C 1.557 1.655 0 C-N-CA 124.918 3.745 . . . . 0.0 116.56 170.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -145.75 -40.96 0.22 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.305 2.242 . . . . 0.0 110.543 162.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.69 -29.2 69.93 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.9 mt -100.12 0.67 41.12 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -55.73 -41.2 73.53 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -171.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.5 -28.48 67.08 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.146 0.885 . . . . 0.0 113.243 175.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.7 mt -83.95 -42.31 16.41 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.603 1.161 . . . . 0.0 110.288 -178.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.7 m -55.16 -40.29 70.49 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 122.717 0.407 . . . . 0.0 111.284 166.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -51.41 70.18 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.041 0.936 . . . . 0.0 111.627 174.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.441 ' HG ' ' HD1' ' A' ' 87' ' ' HIS . 0.2 OUTLIER -58.74 -45.19 90.23 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.201 -0.937 . . . . 0.0 111.261 175.799 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.441 ' HD1' ' HG ' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -62.19 -26.53 68.4 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.199 1.0 . . . . 0.0 113.237 -179.405 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.81 -17.45 16.21 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.979 1.312 . . . . 0.0 114.502 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -131.0 -35.25 1.41 Allowed 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.278 1.585 . . . . 0.0 115.278 -171.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -65.23 -46.29 81.21 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 120.473 1.488 . . . . 0.0 109.821 173.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.98 -132.9 0.05 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.491 2.317 . . . . 0.0 108.189 172.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.84 54.88 0.83 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.402 1.081 . . . . 0.0 113.477 -166.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 76.4 t -52.42 103.09 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 124.146 0.978 . . . . 0.0 112.474 -172.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.01 134.15 89.79 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 123.515 0.726 . . . . 0.0 112.216 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -48.43 -33.1 22.04 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 125.165 3.91 . . . . 0.0 116.585 -176.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.2 p -47.04 -39.36 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.02 0.928 . . . . 0.0 113.049 173.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -73.53 -28.69 62.02 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.34 -0.85 . . . . 0.0 112.181 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -60.95 -48.77 80.3 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 119.062 0.846 . . . . 0.0 109.712 167.266 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -55.23 -45.92 75.97 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.707 0.685 . . . . 0.0 110.581 -177.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 64.2 mt -58.45 -62.97 1.45 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.7 1.2 . . . . 0.0 110.904 173.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.8 tp -52.11 -46.01 65.14 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.687 0.795 . . . . 0.0 112.776 -178.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.1 t -56.3 -51.25 68.89 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.522 1.129 . . . . 0.0 111.8 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -60.24 -45.65 92.5 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.887 -0.508 . . . . 0.0 111.21 175.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.457 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 59.6 m -59.07 -40.57 85.6 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.741 -0.6 . . . . 0.0 112.324 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 64.6 mt -64.38 -46.06 85.0 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.872 0.869 . . . . 0.0 111.478 175.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.2 mt -55.95 -45.04 78.97 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.475 -0.766 . . . . 0.0 111.194 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 20.1 t -59.69 -46.6 93.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 124.583 1.153 . . . . 0.0 112.573 176.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.5 p -66.64 -42.76 86.23 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.728 1.149 . . . . 0.0 111.787 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.04 -45.48 90.64 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.47 1.032 . . . . 0.0 110.787 175.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.23 -27.61 55.5 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.82 -12.03 60.01 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -128.34 -17.48 4.22 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -170.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -111.94 130.66 23.0 Favored Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 124.308 1.043 . . . . 0.0 109.427 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -47.47 -47.55 17.54 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 124.795 3.663 . . . . 0.0 117.632 -158.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' A' ' 117' ' ' PHE . . . -134.28 18.31 3.7 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 124.288 1.035 . . . . 0.0 112.164 -178.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -16.69 5.69 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 117.11 2.263 . . . . 0.0 117.11 -155.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.451 ' CE2' ' CG ' ' B' ' 116' ' ' HIS . 26.7 p90 -66.35 11.96 0.08 Allowed 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 126.514 1.926 . . . . 0.0 113.349 162.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -54.93 162.67 1.76 Allowed Pre-proline 0 N--CA 1.48 1.055 0 C-N-CA 126.189 1.796 . . . . 0.0 112.549 -176.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -52.22 -50.25 14.63 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.646 2.231 . . . . 0.0 113.315 172.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -67.56 -60.28 2.68 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.61 -35.13 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 120.677 -1.264 . . . . 0.0 112.827 -167.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -79.14 -45.3 20.26 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.876 1.216 . . . . 0.0 113.544 176.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.94 -48.45 73.14 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 120.291 1.405 . . . . 0.0 110.199 173.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.1 m -59.93 -57.0 14.78 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.576 1.151 . . . . 0.0 111.652 177.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 28.0 mt -58.31 -42.36 86.52 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 121.471 1.942 . . . . 0.0 113.534 177.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -60.06 -52.46 65.27 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.916 1.235 . . . . 0.0 111.67 177.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -27.75 63.64 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -68.12 -49.57 60.27 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.116 1.366 . . . . 0.0 110.642 172.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -59.79 -39.33 84.59 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.012 0.824 . . . . 0.0 111.196 172.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.57 -33.8 75.69 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 171.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 36.8 t -71.43 -45.12 63.5 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.539 -1.35 . . . . 0.0 112.27 170.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.7 t -51.98 -54.98 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 123.879 0.872 . . . . 0.0 109.436 173.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 96.1 p -64.09 -42.64 96.87 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 119.264 0.938 . . . . 0.0 113.151 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.5 m -49.82 -47.78 51.23 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.462 1.028 . . . . 0.0 110.923 171.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 90.3 t -71.21 -44.47 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 O-C-N 121.173 -0.954 . . . . 0.0 111.206 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -16.48 64.02 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.4 t -101.2 -17.27 16.7 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.29 1.436 . . . . 0.0 112.4 172.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.6 t . . . . . 0 CA--C 1.542 0.64 0 C-N-CA 124.143 0.977 . . . . 0.0 112.108 166.905 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.34 2.2 p . . . . . 0 N--CA 1.515 2.808 0 CA-C-O 116.859 -1.543 . . . . 0.0 113.206 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 5.1 m170 40.08 77.73 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 120.493 1.497 . . . . 0.0 113.69 -173.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.0 mt -58.41 114.51 2.47 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.156 -0.965 . . . . 0.0 109.709 170.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.63 134.26 82.46 Favored Pre-proline 0 N--CA 1.471 0.583 0 C-N-CA 126.189 1.796 . . . . 0.0 109.042 174.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -49.43 -42.73 40.71 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.068 2.512 . . . . 0.0 116.386 -168.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.77 -40.56 88.25 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.546 -0.721 . . . . 0.0 111.923 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.41 -44.72 82.19 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.022 0.929 . . . . 0.0 111.51 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -43.19 82.88 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.855 1.207 . . . . 0.0 111.593 171.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t -57.67 -45.97 84.88 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.491 1.042 . . . . 0.0 110.745 173.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.91 -59.47 5.19 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 121.619 -0.676 . . . . 0.0 112.731 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' B' ' 130' ' ' TYR . 2.6 p -63.63 -46.32 95.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 CA-C-N 119.751 1.16 . . . . 0.0 112.537 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -75.48 -31.83 60.37 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.246 0.93 . . . . 0.0 112.044 -172.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.67 -36.99 83.85 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 120.634 1.561 . . . . 0.0 111.987 171.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -32.71 70.57 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.57 -0.706 . . . . 0.0 111.616 173.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -60.75 -43.99 97.27 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.468 -0.77 . . . . 0.0 112.134 165.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.37 -32.05 57.35 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.758 1.647 . . . . 0.0 115.35 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -95.55 -13.01 24.8 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 174.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.453 HG22 HG13 ' B' ' 23' ' ' VAL . 0.5 OUTLIER -61.95 132.25 27.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.563 1.145 . . . . 0.0 111.525 -175.332 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -82.87 91.74 7.15 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.668 0.787 . . . . 0.0 109.178 172.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 90.5 t -54.76 -36.87 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 CA-C-N 119.408 1.004 . . . . 0.0 113.57 -171.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -63.41 -54.59 34.23 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.873 0.761 . . . . 0.0 112.82 172.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.79 -55.97 5.93 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 119.337 -0.364 . . . . 0.0 110.183 -175.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.453 HG13 HG22 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -60.29 -27.43 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 119.183 0.901 . . . . 0.0 112.834 179.157 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.92 -46.68 13.1 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-N 119.012 0.824 . . . . 0.0 112.248 175.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.0 -41.23 99.94 Favored Glycine 0 N--CA 1.469 0.872 0 CA-C-N 118.297 1.048 . . . . 0.0 112.759 171.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -54.48 -65.77 0.52 Allowed 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 125.052 1.341 . . . . 0.0 109.645 167.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.51 -52.06 63.15 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 121.037 1.744 . . . . 0.0 113.474 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 tp -70.95 -39.81 72.36 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.445 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.0 -43.35 99.29 Favored Glycine 0 N--CA 1.468 0.773 0 CA-C-N 119.777 1.171 . . . . 0.0 111.728 171.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.423 ' HA ' HG22 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -50.9 -40.67 57.34 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.583 1.553 . . . . 0.0 111.41 177.772 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' B' ' 106' ' ' LEU . 26.0 tp -49.79 -40.74 42.54 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.713 0.805 . . . . 0.0 111.873 176.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.421 HD23 ' CD2' ' B' ' 42' ' ' PHE . 0.3 OUTLIER -88.77 -29.8 19.51 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 122.014 -0.429 . . . . 0.0 110.797 -176.636 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.423 HG22 ' HA ' ' B' ' 30' ' ' ARG . 1.4 m -67.44 -18.25 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 177.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.8 2.42 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 119.656 1.116 . . . . 0.0 113.413 168.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.61 39.25 0.6 Allowed Pre-proline 0 CA--C 1.563 1.463 0 C-N-CA 126.249 1.819 . . . . 0.0 114.777 -173.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -83.75 158.43 14.05 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.235 1.957 . . . . 0.0 111.736 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 33.1 p90 -48.42 -36.12 14.18 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.01 0.924 . . . . 0.0 113.125 172.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 2.4 m -49.74 -30.87 10.2 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.888 1.675 . . . . 0.0 114.215 177.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -58.55 -28.26 65.32 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -30.18 69.95 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.535 0.734 . . . . 0.0 112.412 -177.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -87.53 -4.5 58.98 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 176.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.421 ' CD2' HD23 ' B' ' 32' ' ' LEU . 11.7 m-85 -89.72 8.7 30.33 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.884 0.874 . . . . 0.0 112.896 175.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -53.76 -31.69 49.55 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.428 -1.42 . . . . 0.0 113.347 170.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 46.9 p -59.35 -22.63 61.61 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.94 1.296 . . . . 0.0 114.33 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -79.5 -11.41 59.9 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.973 1.309 . . . . 0.0 112.991 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.52 -173.58 11.8 Favored Glycine 0 CA--C 1.537 1.419 0 CA-C-N 119.219 0.918 . . . . 0.0 113.515 -170.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 45.68 -124.29 1.2 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.463 1.105 . . . . 0.0 111.073 -170.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 tt 64.74 -22.03 0.08 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 127.407 2.283 . . . . 0.0 116.172 172.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -50.75 -29.74 12.22 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 127.663 2.385 . . . . 0.0 113.729 173.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' THR . . . . . 0.572 ' HG1' ' H ' ' B' ' 53' ' ' ALA . 11.0 p -127.66 155.0 77.79 Favored Pre-proline 0 N--CA 1.473 0.675 0 C-N-CA 124.408 1.083 . . . . 0.0 109.513 161.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -70.3 -33.16 15.04 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.125 1.216 . . . . 0.0 113.413 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -58.74 -38.87 79.34 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.955 0.798 . . . . 0.0 110.612 172.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.572 ' H ' ' HG1' ' B' ' 50' ' ' THR . . . -64.65 -43.94 92.02 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 118.317 -0.849 . . . . 0.0 112.127 171.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -34.27 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 CA-C-N 121.218 1.826 . . . . 0.0 113.213 177.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 2.0 ttm -74.46 -34.71 63.23 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.859 0.864 . . . . 0.0 113.112 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.4 -31.76 36.61 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 123.757 0.694 . . . . 0.0 114.301 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -49.67 116.4 6.03 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 126.106 1.763 . . . . 0.0 113.606 -171.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -62.53 -26.86 76.35 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.741 2.294 . . . . 0.0 113.292 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -65.76 -43.24 89.47 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.506 1.048 . . . . 0.0 112.165 174.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 26.5 t -69.97 -35.26 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 O-C-N 121.487 -0.758 . . . . 0.0 111.392 174.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -63.04 -51.9 64.92 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 119.793 1.179 . . . . 0.0 112.217 171.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.39 -46.66 88.06 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.299 1.04 . . . . 0.0 112.604 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -68.05 -35.39 78.16 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.936 -1.103 . . . . 0.0 112.425 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.73 -46.21 83.26 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.907 1.241 . . . . 0.0 112.819 169.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.86 -42.25 79.43 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.268 1.034 . . . . 0.0 111.845 169.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -66.08 -49.64 66.89 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.17 0.895 . . . . 0.0 113.258 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 4.6 m -62.66 -39.84 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 120.047 1.294 . . . . 0.0 111.718 175.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 tt -71.19 -36.67 72.03 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 120.715 -1.241 . . . . 0.0 112.213 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.78 -35.72 76.02 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.616 1.103 . . . . 0.0 113.049 168.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.41 -45.67 75.45 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.268 -1.136 . . . . 0.0 112.453 168.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -57.88 -37.79 74.6 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 120.398 -1.439 . . . . 0.0 112.915 172.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 38.4 p -73.25 -36.73 66.45 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.474 1.034 . . . . 0.0 113.435 176.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -55.46 -35.58 65.65 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.361 0.982 . . . . 0.0 111.239 165.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.12 -63.64 5.11 Favored Glycine 0 C--N 1.34 0.802 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 167.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mt -54.01 -21.24 7.77 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 177.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.5 -20.87 22.2 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.719 1.608 . . . . 0.0 114.889 175.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -139.71 41.96 2.0 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.342 1.457 . . . . 0.0 113.257 -171.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.92 -11.52 28.82 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 177.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -4.88 42.76 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.93 0.892 . . . . 0.0 113.31 171.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.38 -63.41 1.39 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -171.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 51.03 -13.46 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 128.51 2.724 . . . . 0.0 118.266 -171.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -119.62 -57.54 1.97 Allowed 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 120.731 1.605 . . . . 0.0 111.153 -178.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.23 -39.41 94.54 Favored Glycine 0 CA--C 1.537 1.458 0 CA-C-N 118.811 0.732 . . . . 0.0 114.061 176.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 3.2 t -71.85 -18.89 62.04 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -121.48 5.76 10.12 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.49 1.292 . . . . 0.0 114.49 -175.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.02 -39.8 69.51 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 120.803 1.638 . . . . 0.0 113.409 -173.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 17.0 p -63.81 -44.07 94.38 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.813 1.245 . . . . 0.0 112.654 173.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 20.9 mt -68.25 -39.45 82.25 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.584 -0.697 . . . . 0.0 111.896 175.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -63.44 -38.52 91.45 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.249 1.02 . . . . 0.0 111.682 175.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -64.9 -49.82 68.98 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.162 -0.962 . . . . 0.0 112.047 170.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 12.4 tp -50.64 -54.69 20.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.094 0.958 . . . . 0.0 111.363 173.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -74.62 10.95 1.14 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.79 1.236 . . . . 0.0 114.209 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 41.9 t -130.55 -58.64 1.04 Allowed 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.951 -1.093 . . . . 0.0 111.715 174.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.64 -40.01 70.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.172 0.989 . . . . 0.0 113.005 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -41.55 15.97 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.39 0.676 . . . . 0.0 112.36 178.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.93 82.07 1.44 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.633 1.573 . . . . 0.0 111.551 -176.03 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -66.09 28.81 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 126.946 2.098 . . . . 0.0 115.127 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 76.2 t -51.41 145.29 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 128.044 2.537 . . . . 0.0 112.377 -173.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -56.88 131.94 79.31 Favored Pre-proline 0 CA--C 1.553 1.059 0 O-C-N 121.469 -0.769 . . . . 0.0 112.914 -178.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -49.73 -30.03 21.54 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 124.018 3.145 . . . . 0.0 115.558 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -42.64 -46.4 4.99 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.399 1.479 . . . . 0.0 113.976 169.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -65.19 -31.71 73.03 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.27 -0.894 . . . . 0.0 112.77 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -67.1 -45.77 76.23 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.936 0.895 . . . . 0.0 110.117 176.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -63.05 -38.31 90.66 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 119.365 -0.35 . . . . 0.0 111.696 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 13.7 mt -60.47 -48.49 81.51 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.071 0.949 . . . . 0.0 112.755 172.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . 0.432 ' HA ' HD12 ' B' ' 31' ' ' LEU . 1.4 tt -56.99 -42.36 80.12 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 118.773 0.715 . . . . 0.0 110.952 174.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.35 -63.73 5.02 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 124.475 1.035 . . . . 0.0 114.04 172.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -44.71 -49.31 10.56 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.159 1.783 . . . . 0.0 110.792 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 36.9 t -59.74 -52.36 61.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 123.636 0.774 . . . . 0.0 112.223 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 58.7 tp -56.33 -51.9 66.55 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.724 1.147 . . . . 0.0 110.946 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.4 m -62.69 -31.78 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.915 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 21.9 t -65.82 -42.82 90.13 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.218 0.463 . . . . 0.0 111.88 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . 0.262 1.7 m -68.95 -37.32 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 120.678 -1.264 . . . . 0.0 112.614 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.78 -36.46 83.96 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.53 -0.731 . . . . 0.0 110.943 172.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.08 69.55 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 172.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . 0.451 ' CG ' ' CE2' ' A' ' 117' ' ' PHE . 0.9 OUTLIER -77.74 -50.0 13.28 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.649 1.113 . . . . 0.0 112.216 172.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.96 -19.24 61.92 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -167.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -128.93 41.27 3.51 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.231 1.813 . . . . 0.0 110.04 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -54.61 -22.86 26.45 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 126.022 1.772 . . . . 0.0 116.114 -177.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -79.63 -8.73 59.38 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.849 1.324 . . . . 0.0 113.744 173.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -128.73 3.94 5.48 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 127.484 2.314 . . . . 0.0 112.586 -172.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.11 27.03 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 127.081 2.152 . . . . 0.0 116.125 -171.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 29.1 p -46.31 144.34 3.27 Favored Pre-proline 0 N--CA 1.48 1.065 0 O-C-N 120.566 -1.334 . . . . 0.0 113.562 -165.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -40.47 -45.96 4.46 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 C-N-CA 123.402 2.734 . . . . 0.0 116.102 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.69 -27.23 27.07 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.696 1.597 . . . . 0.0 115.057 173.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -44.75 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 121.998 2.181 . . . . 0.0 111.85 174.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -73.73 -28.25 61.61 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 118.215 -0.898 . . . . 0.0 112.41 175.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.37 -48.31 67.81 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.853 1.66 . . . . 0.0 111.769 170.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.56 81.15 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 124.944 1.297 . . . . 0.0 111.369 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.491 ' CE2' HG21 ' B' ' 11' ' ' VAL . 1.0 OUTLIER -54.52 -51.47 65.06 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 118.571 -0.728 . . . . 0.0 111.535 170.785 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.13 -36.15 74.71 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.745 1.157 . . . . 0.0 112.975 178.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -66.83 -44.01 82.24 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.764 1.166 . . . . 0.0 112.833 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.82 -39.83 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.133 -0.98 . . . . 0.0 112.416 172.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 19.9 t -60.75 -42.25 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.665 1.186 . . . . 0.0 112.058 176.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.04 96.42 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.616 1.166 . . . . 0.0 111.806 174.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -54.52 -49.85 59.28 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.733 -0.482 . . . . 0.0 112.148 169.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 3.7 t -58.28 -47.87 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 117.946 0.873 . . . . 0.0 112.191 172.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.82 -47.67 79.75 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 120.28 1.4 . . . . 0.0 111.908 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -66.52 -35.95 81.51 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.744 -0.597 . . . . 0.0 112.259 176.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.5 79.44 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.015 -1.053 . . . . 0.0 112.561 173.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.17 -27.99 66.89 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.119 -0.988 . . . . 0.0 111.812 177.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . 0.487 ' HA ' ' CE1' ' B' ' 145' ' ' TYR . . . -77.56 -6.7 54.59 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.83 1.418 . . . . 0.0 114.83 168.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -62.7 -42.24 99.53 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 119.706 -1.871 . . . . 0.0 113.041 -167.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.6 -9.43 3.82 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.404 1.481 . . . . 0.0 114.872 176.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 145' ' ' TYR . . . . . 0.487 ' CE1' ' HA ' ' B' ' 142' ' ' ALA . 1.7 m-30 . . . . . 0 CA--C 1.546 0.791 0 CA-C-N 119.456 1.025 . . . . 0.0 111.639 -177.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.518 2.934 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 21.8 mt -148.52 -167.24 2.76 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 126.287 1.835 . . . . 0.0 110.929 -170.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.3 152.41 64.12 Favored Pre-proline 0 N--CA 1.486 1.359 0 CA-C-N 119.989 1.268 . . . . 0.0 113.014 -175.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -67.68 -50.17 0.96 Allowed 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.229 2.619 . . . . 0.0 112.806 -174.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.35 87.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 122.856 0.463 . . . . 0.0 111.11 175.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -53.69 54.5 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.268 1.027 . . . . 0.0 113.154 178.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -55.23 -46.58 75.98 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-O 118.137 -0.935 . . . . 0.0 111.392 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 54.2 m -56.03 -45.21 79.23 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.988 1.267 . . . . 0.0 112.638 175.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -62.8 -42.22 99.62 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.111 0.869 . . . . 0.0 112.204 177.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 81.7 t -73.75 -38.0 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 118.558 -0.734 . . . . 0.0 111.379 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -56.05 -48.18 76.51 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.48 1.036 . . . . 0.0 110.94 167.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.82 -51.92 67.68 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.188 0.595 . . . . 0.0 111.673 177.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.13 -54.12 47.29 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.493 0.717 . . . . 0.0 111.69 176.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -62.3 -26.96 68.71 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.89 -42.5 96.91 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.677 1.132 . . . . 0.0 113.464 170.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -70.41 -36.92 74.33 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 118.577 1.189 . . . . 0.0 111.012 173.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 53.6 t -57.35 -50.78 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 124.957 1.303 . . . . 0.0 111.179 175.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.75 -134.0 11.42 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 123.939 0.781 . . . . 0.0 114.054 176.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.71 -22.42 57.39 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -70.72 -8.71 54.16 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 175.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.08 -49.73 21.13 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.247 0.93 . . . . 0.0 112.581 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.86 -38.89 96.11 Favored Glycine 0 C--N 1.34 0.752 0 CA-C-O 119.226 -0.763 . . . . 0.0 113.9 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.83 -42.98 89.86 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.4 1.1 . . . . 0.0 111.09 174.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -63.06 -37.05 85.66 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.261 -0.899 . . . . 0.0 112.048 174.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.85 -46.82 92.81 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-N 118.877 0.762 . . . . 0.0 112.74 170.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.37 -45.72 86.5 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.173 0.986 . . . . 0.0 112.097 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -60.05 -41.72 92.91 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.851 0.86 . . . . 0.0 111.387 172.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . 0.448 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -63.91 -40.71 97.11 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 178.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 73.0 mt -62.53 -51.97 65.3 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.083 0.953 . . . . 0.0 111.488 170.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -60.31 -42.2 95.05 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.099 0.863 . . . . 0.0 112.844 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -59.73 -44.94 93.55 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 118.585 -0.722 . . . . 0.0 111.096 172.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 9.3 tmm? -59.78 -47.45 85.62 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.379 0.99 . . . . 0.0 111.662 175.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -58.77 -41.23 86.12 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.29 -36.44 29.84 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 118.808 0.731 . . . . 0.0 112.531 177.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 7.4 t -71.17 -33.85 70.39 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.808 0.843 . . . . 0.0 112.82 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -128.22 85.75 59.7 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.907 1.683 . . . . 0.0 108.75 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.54 -18.67 6.11 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.684 2.923 . . . . 0.0 114.653 173.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -21.36 2.23 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 127.377 2.271 . . . . 0.0 115.108 165.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 26.8 p -86.55 -20.61 27.72 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.959 1.254 . . . . 0.0 113.305 174.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -53.86 -38.42 64.68 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.41 1.084 . . . . 0.0 113.229 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 2.8 t -53.28 -30.95 41.4 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 178.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -58.28 -32.53 68.5 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 118.132 -0.937 . . . . 0.0 113.156 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 2.5 t80 11.25 67.98 0.09 OUTLIER Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 129.122 2.969 . . . . 0.0 115.072 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -80.83 38.08 0.73 Allowed 'Trans proline' 0 CA--C 1.548 1.213 0 C-N-CA 123.601 2.867 . . . . 0.0 113.794 -158.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.297 0.7 OUTLIER 92.68 7.97 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.38 1 C-N-CA 131.787 4.035 . . . . 0.0 113.715 -170.315 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -71.45 -177.66 1.89 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.963 1.705 . . . . 0.0 114.73 -175.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -130.05 -41.95 1.26 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.125 0.97 . . . . 0.0 113.51 -173.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 mt 54.48 17.56 1.65 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.943 2.097 . . . . 0.0 116.143 175.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 66.1 m -72.63 21.23 0.07 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 126.668 1.987 . . . . 0.0 115.748 -176.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 63.36 142.16 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 127.839 2.455 . . . . 0.0 112.897 -164.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.06 21.15 73.45 Favored Glycine 0 CA--C 1.541 1.715 0 O-C-N 121.026 -1.046 . . . . 0.0 115.18 -177.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 26.3 t -62.94 114.64 3.79 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.483 1.113 . . . . 0.0 113.205 -176.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.28 -34.04 63.75 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.663 1.185 . . . . 0.0 112.778 171.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -67.38 -41.13 85.52 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.215 1.006 . . . . 0.0 111.375 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 90.3 t -65.23 -37.91 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 O-C-N 121.567 -0.708 . . . . 0.0 111.402 172.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -62.16 -48.54 79.62 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 119.29 0.95 . . . . 0.0 111.225 176.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.09 -44.49 98.1 Favored Glycine 0 N--CA 1.472 1.097 0 C-N-CA 124.196 0.903 . . . . 0.0 113.121 177.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.81 -42.71 98.17 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.414 -1.051 . . . . 0.0 111.817 173.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . 0.409 ' O ' ' HB1' ' C' ' 63' ' ' ALA . . . -58.42 -48.65 82.75 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 124.137 0.875 . . . . 0.0 113.19 172.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -55.11 -40.78 70.88 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.307 1.043 . . . . 0.0 112.245 172.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -65.34 -51.48 60.26 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 173.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 88.1 t -55.6 -43.24 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 CA-C-N 120.333 1.424 . . . . 0.0 110.983 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 63' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' C' ' 59' ' ' GLY . . . -63.53 -51.1 66.92 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 123.943 0.897 . . . . 0.0 113.323 176.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -61.68 -30.03 70.47 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.478 -0.764 . . . . 0.0 112.058 176.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.06 -36.01 81.1 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.27 -0.894 . . . . 0.0 113.235 169.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.37 -39.08 88.89 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.346 0.975 . . . . 0.0 111.847 168.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 78.9 m -58.62 -49.0 79.11 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.985 1.266 . . . . 0.0 111.674 169.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -60.83 -38.1 84.3 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.889 1.676 . . . . 0.0 113.037 175.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.13 -60.76 3.25 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 119.078 0.853 . . . . 0.0 110.181 165.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 53.3 t -51.5 -37.51 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.108 1.363 . . . . 0.0 113.013 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.01 -26.49 65.03 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 177.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -134.93 15.91 3.55 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.814 1.246 . . . . 0.0 113.46 -169.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 5.4 p -60.2 -30.14 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.958 1.303 . . . . 0.0 114.513 -165.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.98 -16.32 41.68 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.672 1.189 . . . . 0.0 113.766 172.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -137.0 28.2 2.88 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 128.338 2.655 . . . . 0.0 110.853 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 11.4 ttp -51.02 -36.48 25.64 Favored Pre-proline 0 CA--C 1.548 0.887 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 -173.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -64.31 35.75 0.1 OUTLIER 'Trans proline' 0 CA--C 1.558 1.706 0 C-N-CA 124.851 3.701 . . . . 0.0 116.641 170.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -145.0 -40.96 0.24 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.084 2.154 . . . . 0.0 110.559 162.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.71 -29.05 69.85 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -178.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 85.2 mt -100.07 0.5 40.91 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 67.4 m -55.64 -41.37 73.45 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -171.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.27 -28.59 66.88 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.143 0.883 . . . . 0.0 113.325 175.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 11.7 mt -83.81 -42.29 16.61 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.565 1.146 . . . . 0.0 110.336 -178.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 14.8 m -55.2 -40.32 70.62 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.812 0.445 . . . . 0.0 111.208 166.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.07 -51.38 70.31 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.0 0.92 . . . . 0.0 111.587 174.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . 0.429 ' HG ' ' HD1' ' C' ' 87' ' ' HIS . 0.2 OUTLIER -58.91 -44.94 91.36 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.196 -0.94 . . . . 0.0 111.225 175.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . 0.429 ' HD1' ' HG ' ' C' ' 86' ' ' LEU . 0.6 OUTLIER -62.26 -26.67 68.52 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.23 1.012 . . . . 0.0 113.172 -179.518 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.78 -17.39 16.26 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.978 1.311 . . . . 0.0 114.529 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -131.01 -35.34 1.4 Allowed 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -171.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -65.28 -46.3 81.01 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 120.52 1.509 . . . . 0.0 109.832 173.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.91 -132.83 0.05 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.497 2.319 . . . . 0.0 108.245 172.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.82 54.0 0.83 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.38 1.072 . . . . 0.0 113.56 -166.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 76.7 t -51.68 103.15 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 124.306 1.042 . . . . 0.0 112.614 -172.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.23 134.27 89.3 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 123.473 0.709 . . . . 0.0 112.152 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -48.53 -33.07 22.51 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 125.171 3.914 . . . . 0.0 116.648 -176.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 14.4 p -47.14 -39.25 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 119.178 0.899 . . . . 0.0 113.047 173.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -73.51 -28.74 62.06 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 121.311 -0.868 . . . . 0.0 112.091 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -60.96 -48.73 80.45 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.116 0.871 . . . . 0.0 109.768 167.316 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -55.35 -45.77 76.45 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 118.631 0.65 . . . . 0.0 110.576 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 64.6 mt -58.5 -62.93 1.49 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.676 1.19 . . . . 0.0 110.964 173.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 56.3 tp -52.06 -45.94 64.93 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.718 0.807 . . . . 0.0 112.789 -178.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 41.1 t -56.46 -51.38 68.67 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.622 1.169 . . . . 0.0 111.626 177.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -60.11 -45.68 92.16 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 122.061 -0.399 . . . . 0.0 111.269 175.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 104' ' ' CYS . . . . . 0.448 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 59.6 m -58.85 -40.9 85.64 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.69 -0.631 . . . . 0.0 112.306 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 64.8 mt -64.35 -45.89 85.82 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.875 0.87 . . . . 0.0 111.423 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.04 -44.99 79.32 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.545 -0.722 . . . . 0.0 111.05 173.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 20.2 t -59.93 -46.57 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.651 1.181 . . . . 0.0 112.401 176.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 10.6 p -66.54 -42.92 86.46 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.78 1.173 . . . . 0.0 111.72 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.06 -45.38 90.94 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.538 1.063 . . . . 0.0 110.811 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.08 -27.87 55.37 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.6 -12.04 60.0 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 178.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -128.47 -17.45 4.16 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 -170.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -111.95 130.78 22.89 Favored Pre-proline 0 CA--C 1.555 1.163 0 C-N-CA 124.266 1.026 . . . . 0.0 109.343 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -47.58 -47.66 17.51 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 124.807 3.672 . . . . 0.0 117.488 -158.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . 0.427 ' HA ' ' CE2' ' C' ' 117' ' ' PHE . . . -134.21 18.41 3.72 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.369 1.067 . . . . 0.0 112.171 -178.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.43 -16.4 5.72 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 117.149 2.277 . . . . 0.0 117.149 -155.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 117' ' ' PHE . . . . . 0.461 ' CE2' ' CG ' ' D' ' 116' ' ' HIS . 27.0 p90 -66.56 12.16 0.08 Allowed 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 126.48 1.912 . . . . 0.0 113.287 162.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.15 162.88 1.81 Allowed Pre-proline 0 N--CA 1.48 1.047 0 C-N-CA 126.138 1.775 . . . . 0.0 112.471 -176.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -52.29 -50.33 14.39 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.675 2.25 . . . . 0.0 113.25 172.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -67.61 -60.26 2.69 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.6 -35.14 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 O-C-N 120.839 -1.163 . . . . 0.0 112.909 -167.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -79.01 -45.56 19.97 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.845 1.202 . . . . 0.0 113.486 176.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.77 -48.59 72.47 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 120.301 1.41 . . . . 0.0 110.245 173.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 50.4 m -59.88 -57.04 14.59 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.653 176.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 27.3 mt -58.38 -42.26 86.65 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 121.507 1.958 . . . . 0.0 113.534 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.76 -52.72 64.29 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 120.074 1.306 . . . . 0.0 111.71 176.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -27.7 63.56 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -68.13 -49.46 60.96 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.062 1.345 . . . . 0.0 110.693 172.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -59.81 -39.4 84.92 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.965 0.802 . . . . 0.0 111.213 172.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.59 -33.66 75.43 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 119.523 1.056 . . . . 0.0 113.78 171.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 36.9 t -71.61 -45.19 62.87 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.622 -1.299 . . . . 0.0 112.119 170.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 57.6 t -51.96 -54.92 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 123.871 0.868 . . . . 0.0 109.487 173.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 95.7 p -64.22 -42.59 96.51 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 119.156 0.889 . . . . 0.0 113.112 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 1.5 m -49.99 -47.64 52.75 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.522 1.055 . . . . 0.0 110.98 171.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 89.2 t -71.1 -44.58 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 O-C-N 121.155 -0.966 . . . . 0.0 111.276 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -16.34 63.95 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 1.4 t -101.23 -17.24 16.69 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.197 1.399 . . . . 0.0 112.427 172.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 CA--C 1.542 0.643 0 C-N-CA 124.2 1.0 . . . . 0.0 112.047 166.94 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.337 2.2 p . . . . . 0 N--CA 1.515 2.8 0 CA-C-O 116.674 -1.631 . . . . 0.0 113.233 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 5.1 m170 39.99 77.74 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 120.583 1.538 . . . . 0.0 113.757 -173.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 63.3 mt -58.41 114.47 2.46 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.135 -0.978 . . . . 0.0 109.68 170.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.63 134.3 82.47 Favored Pre-proline 0 N--CA 1.472 0.658 0 C-N-CA 126.165 1.786 . . . . 0.0 109.08 174.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.52 -42.72 41.37 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.094 2.529 . . . . 0.0 116.351 -168.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.92 -40.38 87.61 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.648 -0.658 . . . . 0.0 111.904 176.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.39 -44.66 82.47 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.147 0.979 . . . . 0.0 111.526 173.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -43.23 83.56 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.787 1.176 . . . . 0.0 111.482 171.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 16.9 t -57.74 -45.86 85.26 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.439 1.018 . . . . 0.0 110.83 173.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.78 -59.43 5.23 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 175.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 11' ' ' VAL . . . . . 0.485 HG21 ' CE2' ' D' ' 130' ' ' TYR . 2.6 p -63.7 -46.23 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 CA-C-N 119.757 1.162 . . . . 0.0 112.462 -179.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -75.54 -32.08 60.31 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.321 0.964 . . . . 0.0 111.961 -172.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.69 -37.07 83.98 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.474 1.488 . . . . 0.0 111.875 171.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -32.81 70.82 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.461 -0.775 . . . . 0.0 111.631 173.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 7.3 t90 -60.56 -44.06 96.58 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.524 -0.735 . . . . 0.0 112.087 165.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.57 -31.99 57.86 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.693 1.616 . . . . 0.0 115.266 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -95.57 -13.06 24.73 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 118.283 1.041 . . . . 0.0 113.76 174.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.448 HG22 HG13 ' D' ' 23' ' ' VAL . 0.5 OUTLIER -61.77 132.19 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.748 1.219 . . . . 0.0 111.491 -175.396 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -82.88 91.78 7.17 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.714 0.806 . . . . 0.0 109.184 172.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -54.76 -36.75 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 119.367 0.985 . . . . 0.0 113.563 -171.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.56 -54.71 31.86 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 118.906 0.776 . . . . 0.0 112.71 172.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -72.61 -56.2 5.7 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 119.36 -0.352 . . . . 0.0 110.198 -175.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . 0.448 HG13 HG22 ' D' ' 18' ' ' VAL . 0.3 OUTLIER -60.06 -27.46 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 119.01 0.823 . . . . 0.0 112.782 179.074 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.9 -46.73 13.01 Favored Glycine 0 CA--C 1.527 0.823 0 CA-C-N 119.048 0.84 . . . . 0.0 112.256 175.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.99 -41.18 99.96 Favored Glycine 0 N--CA 1.468 0.804 0 CA-C-N 118.337 1.069 . . . . 0.0 112.757 171.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -54.55 -65.89 0.5 Allowed 'General case' 0 C--O 1.214 -0.791 0 C-N-CA 125.112 1.365 . . . . 0.0 109.455 167.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.43 -52.05 63.0 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 121.021 1.737 . . . . 0.0 113.527 -176.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 24.5 tp -70.98 -39.74 72.31 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-O 118.266 -0.874 . . . . 0.0 111.432 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.08 -43.32 99.31 Favored Glycine 0 N--CA 1.468 0.787 0 CA-C-N 119.817 1.189 . . . . 0.0 111.72 171.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 30' ' ' ARG . . . . . 0.417 ' HA ' HG23 ' D' ' 33' ' ' VAL . 0.0 OUTLIER -50.76 -40.84 55.94 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.735 1.614 . . . . 0.0 111.423 177.67 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' D' ' 106' ' ' LEU . 26.0 tp -49.63 -40.78 40.52 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 123.714 0.806 . . . . 0.0 112.032 176.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . 0.413 HD23 ' CD2' ' D' ' 42' ' ' PHE . 0.3 OUTLIER -88.92 -29.73 19.36 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 119.38 -0.343 . . . . 0.0 110.723 -176.629 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 33' ' ' VAL . . . . . 0.417 HG23 ' HA ' ' D' ' 30' ' ' ARG . 1.4 m -67.35 -18.1 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 177.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.0 2.44 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 119.564 1.074 . . . . 0.0 113.378 168.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.65 39.21 0.6 Allowed Pre-proline 0 CA--C 1.563 1.48 0 C-N-CA 126.263 1.825 . . . . 0.0 114.756 -173.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -83.7 158.34 14.14 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 122.195 1.93 . . . . 0.0 111.738 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 32.9 p90 -48.22 -36.17 13.32 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.038 0.935 . . . . 0.0 113.136 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 2.4 m -49.85 -30.81 10.63 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.799 1.639 . . . . 0.0 114.228 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -58.57 -28.24 65.34 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -30.35 69.94 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.493 0.717 . . . . 0.0 112.519 -177.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -87.47 -4.47 59.0 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 176.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 42' ' ' PHE . . . . . 0.413 ' CD2' HD23 ' D' ' 32' ' ' LEU . 11.6 m-85 -89.71 8.64 30.65 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.811 0.845 . . . . 0.0 112.888 175.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -53.74 -31.65 49.2 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 120.455 -1.403 . . . . 0.0 113.328 170.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 48.4 p -59.3 -22.77 61.71 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.026 1.331 . . . . 0.0 114.343 175.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -79.54 -11.27 59.89 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.939 1.295 . . . . 0.0 112.999 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.71 -173.56 12.61 Favored Glycine 0 CA--C 1.537 1.436 0 CA-C-N 119.337 0.971 . . . . 0.0 113.557 -171.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 45.58 -124.34 1.18 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.493 1.117 . . . . 0.0 110.96 -170.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 tt 64.65 -21.94 0.08 Allowed 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 127.567 2.347 . . . . 0.0 116.091 173.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -50.62 -29.8 11.84 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.643 2.377 . . . . 0.0 113.686 173.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 50' ' ' THR . . . . . 0.57 ' HG1' ' H ' ' D' ' 53' ' ' ALA . 10.9 p -127.68 155.02 77.79 Favored Pre-proline 0 N--CA 1.473 0.706 0 C-N-CA 124.384 1.074 . . . . 0.0 109.456 161.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -70.4 -33.0 14.94 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 121.065 1.177 . . . . 0.0 113.391 177.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -58.89 -38.93 79.99 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.061 0.846 . . . . 0.0 110.502 172.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 53' ' ' ALA . . . . . 0.57 ' H ' ' HG1' ' D' ' 50' ' ' THR . . . -64.53 -43.93 92.45 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 118.375 -0.821 . . . . 0.0 112.246 171.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.13 -34.29 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 CA-C-N 121.085 1.766 . . . . 0.0 113.4 177.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 2.0 ttm -74.3 -34.81 63.61 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.778 0.831 . . . . 0.0 113.171 176.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.48 -31.54 36.94 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.721 0.677 . . . . 0.0 114.246 176.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -49.77 116.45 6.17 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 126.048 1.739 . . . . 0.0 113.506 -171.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -62.56 -26.82 76.18 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.727 2.285 . . . . 0.0 113.292 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -65.87 -43.24 88.93 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.498 1.045 . . . . 0.0 112.117 174.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 26.3 t -69.9 -35.38 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 O-C-N 121.473 -0.767 . . . . 0.0 111.286 174.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -63.08 -51.85 65.02 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.836 1.198 . . . . 0.0 112.277 171.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.23 -46.82 87.45 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.361 1.064 . . . . 0.0 112.677 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -68.02 -35.26 77.99 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.097 -1.002 . . . . 0.0 112.466 175.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.98 -46.2 84.93 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 125.047 1.308 . . . . 0.0 112.702 169.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.79 -42.35 79.31 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 118.289 1.044 . . . . 0.0 111.905 169.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -65.89 -49.65 67.29 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 4.6 m -62.69 -39.73 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 120.033 1.288 . . . . 0.0 111.707 175.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 tt -71.21 -36.73 71.98 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 120.845 -1.16 . . . . 0.0 112.162 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.77 -35.69 75.82 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.674 1.131 . . . . 0.0 113.055 168.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.46 -45.57 75.59 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.264 -1.139 . . . . 0.0 112.426 168.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -58.02 -37.64 74.69 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 120.434 -1.416 . . . . 0.0 112.885 172.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 37.6 p -73.29 -36.85 66.37 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.55 1.068 . . . . 0.0 113.424 176.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -55.54 -35.51 65.77 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.324 0.966 . . . . 0.0 111.3 165.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.93 -63.85 4.93 Favored Glycine 0 C--N 1.339 0.697 0 C-N-CA 123.846 0.736 . . . . 0.0 111.349 167.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 mt -53.73 -21.63 7.56 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 177.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.05 -21.09 22.5 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.689 1.596 . . . . 0.0 114.859 175.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -139.59 41.86 2.02 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.439 1.496 . . . . 0.0 113.264 -171.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.88 -11.71 30.1 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.084 1.512 . . . . 0.0 115.084 177.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.43 -4.95 42.46 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.011 0.924 . . . . 0.0 113.335 170.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.45 -63.4 1.39 Allowed 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -171.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 50.91 -13.38 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 118.343 2.72 . . . . 0.0 118.343 -171.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -119.75 -57.53 1.96 Allowed 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.702 1.592 . . . . 0.0 111.105 -178.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.25 -39.37 94.51 Favored Glycine 0 CA--C 1.537 1.435 0 CA-C-N 118.876 0.762 . . . . 0.0 114.067 176.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 3.1 t -71.69 -18.98 62.13 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -121.55 5.69 10.08 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -175.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.98 -39.72 69.3 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 120.648 1.567 . . . . 0.0 113.479 -173.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 17.1 p -63.68 -44.1 94.74 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.931 1.292 . . . . 0.0 112.75 173.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 20.9 mt -68.49 -39.34 81.36 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.539 -0.726 . . . . 0.0 111.829 175.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -63.46 -38.48 91.3 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.244 1.018 . . . . 0.0 111.637 175.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -64.88 -49.78 69.14 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.196 -0.94 . . . . 0.0 112.107 170.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 12.5 tp -50.72 -54.69 21.17 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.14 0.976 . . . . 0.0 111.285 173.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -74.56 10.74 1.22 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.012 1.325 . . . . 0.0 114.239 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 41.9 t -130.47 -58.35 1.05 Allowed 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.934 -1.104 . . . . 0.0 111.704 174.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.65 -40.18 69.86 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.141 0.976 . . . . 0.0 112.893 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.71 -41.51 16.18 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.326 0.65 . . . . 0.0 112.447 178.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.99 82.24 1.44 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.596 1.558 . . . . 0.0 111.521 -176.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -66.22 28.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 126.997 2.119 . . . . 0.0 115.091 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 75.2 t -51.55 145.46 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 127.872 2.469 . . . . 0.0 112.392 -173.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -57.01 131.98 80.05 Favored Pre-proline 0 CA--C 1.553 1.06 0 O-C-N 121.555 -0.716 . . . . 0.0 112.877 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -49.44 -30.29 20.39 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 124.076 3.184 . . . . 0.0 115.49 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -42.72 -46.49 5.13 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.395 1.478 . . . . 0.0 113.897 170.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -64.97 -31.83 73.26 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.232 -0.918 . . . . 0.0 112.752 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -67.2 -45.72 76.06 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.961 0.904 . . . . 0.0 109.96 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 24.8 mtt85 -62.97 -38.54 91.52 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 122.04 -0.412 . . . . 0.0 111.635 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.33 -48.5 81.5 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.099 0.96 . . . . 0.0 112.708 172.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . 0.436 ' HA ' HD13 ' D' ' 31' ' ' LEU . 1.4 tt -56.98 -42.5 80.34 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.876 0.762 . . . . 0.0 110.832 174.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.3 -63.52 5.21 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 124.348 0.975 . . . . 0.0 114.182 172.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -44.9 -49.27 11.08 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.108 1.763 . . . . 0.0 110.762 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 37.2 t -59.64 -52.55 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 123.653 0.781 . . . . 0.0 112.221 176.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 58.3 tp -56.37 -51.6 67.7 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 119.654 1.115 . . . . 0.0 110.938 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 1.4 m -62.84 -31.52 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.796 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 22.4 t -66.24 -42.68 88.28 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.289 0.495 . . . . 0.0 111.73 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . 0.261 1.7 m -69.1 -37.39 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 120.679 -1.263 . . . . 0.0 112.472 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.79 -36.43 83.87 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.693 -0.629 . . . . 0.0 110.89 172.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.6 -29.96 69.53 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 171.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 116' ' ' HIS . . . . . 0.461 ' CG ' ' CE2' ' C' ' 117' ' ' PHE . 0.8 OUTLIER -77.85 -50.01 13.12 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.579 1.081 . . . . 0.0 112.302 172.764 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.91 -19.14 61.97 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -167.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -129.08 41.26 3.5 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.157 1.783 . . . . 0.0 110.005 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -54.47 -23.02 25.84 Favored Glycine 0 N--CA 1.475 1.271 0 C-N-CA 126.063 1.792 . . . . 0.0 116.088 -177.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -79.75 -8.54 59.31 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 118.879 1.339 . . . . 0.0 113.794 173.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -128.83 3.93 5.41 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 127.364 2.266 . . . . 0.0 112.541 -173.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.85 26.79 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 127.161 2.184 . . . . 0.0 116.108 -171.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 29.1 p -46.3 144.48 3.18 Favored Pre-proline 0 N--CA 1.48 1.054 0 O-C-N 120.675 -1.266 . . . . 0.0 113.571 -165.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -40.42 -46.0 4.4 Favored 'Trans proline' 0 CA--C 1.548 1.182 0 C-N-CA 123.335 2.69 . . . . 0.0 116.121 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.83 -26.99 26.66 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 121.684 1.589 . . . . 0.0 115.074 173.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -44.78 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 121.9 2.136 . . . . 0.0 111.765 174.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -73.91 -28.28 61.45 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 118.289 -0.862 . . . . 0.0 112.48 175.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.38 -48.35 67.68 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 120.855 1.661 . . . . 0.0 111.688 170.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.41 81.71 Favored 'General case' 0 CA--C 1.527 0.074 0 C-N-CA 124.894 1.278 . . . . 0.0 111.483 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 130' ' ' TYR . . . . . 0.485 ' CE2' HG21 ' D' ' 11' ' ' VAL . 1.0 OUTLIER -54.67 -51.37 65.7 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 118.498 -0.763 . . . . 0.0 111.514 170.694 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.19 -36.1 74.74 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.856 1.207 . . . . 0.0 113.026 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -66.83 -44.0 82.25 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.714 1.143 . . . . 0.0 112.881 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.77 -39.83 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.024 -1.047 . . . . 0.0 112.413 172.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 20.0 t -60.83 -42.27 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.636 1.174 . . . . 0.0 111.972 176.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.0 96.75 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.686 1.194 . . . . 0.0 111.951 174.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -54.59 -49.8 59.73 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.747 -0.474 . . . . 0.0 112.135 169.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 3.7 t -58.33 -47.93 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 117.895 0.848 . . . . 0.0 112.159 172.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.96 -47.53 80.51 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 120.213 1.369 . . . . 0.0 111.836 178.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -66.48 -36.06 81.82 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.749 -0.595 . . . . 0.0 112.308 176.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.28 -48.57 79.3 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.074 -1.016 . . . . 0.0 112.578 173.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 8.9 mt -68.2 -27.79 66.69 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.182 -0.949 . . . . 0.0 111.782 177.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 142' ' ' ALA . . . . . 0.473 ' HA ' ' CE1' ' D' ' 145' ' ' TYR . . . -77.69 -6.79 55.12 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 168.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -62.66 -42.17 99.46 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 119.815 -1.803 . . . . 0.0 113.111 -167.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -9.51 3.83 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.447 1.499 . . . . 0.0 114.923 176.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 145' ' ' TYR . . . . . 0.473 ' CE1' ' HA ' ' D' ' 142' ' ' ALA . 1.7 m-30 -70.99 -27.05 63.42 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 119.388 0.995 . . . . 0.0 111.623 -177.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 60.5 m80 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.131 1.772 . . . . 0.0 112.788 177.908 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.27 3.1 p . . . . . 0 N--CA 1.511 2.613 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 58.4 mt -141.98 165.9 26.18 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 120.683 1.583 . . . . 0.0 113.238 -172.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.21 165.66 25.3 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 126.891 2.076 . . . . 0.0 113.2 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -78.57 -49.75 0.08 OUTLIER 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.368 2.712 . . . . 0.0 114.245 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.78 -29.08 70.43 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.344 -0.847 . . . . 0.0 112.501 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -48.01 -61.36 2.01 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.914 1.286 . . . . 0.0 112.184 165.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -54.66 -47.07 74.03 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.746 0.818 . . . . 0.0 110.678 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.7 m -55.04 -49.28 71.98 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 118.95 0.796 . . . . 0.0 112.609 178.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -66.32 -37.66 85.88 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.068 0.849 . . . . 0.0 112.932 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.5 t -63.34 -48.42 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-O 118.732 -0.652 . . . . 0.0 110.925 174.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -58.21 -44.34 88.11 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.521 1.055 . . . . 0.0 111.354 174.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.9 -53.31 59.88 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.31 0.644 . . . . 0.0 111.671 176.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.17 -52.49 65.12 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.34 0.656 . . . . 0.0 111.57 176.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -62.27 -27.21 68.86 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.36 -41.95 97.91 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.625 1.107 . . . . 0.0 113.45 170.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -71.07 -35.93 72.09 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 118.538 1.169 . . . . 0.0 111.172 173.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.04 -43.02 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.445 1.098 . . . . 0.0 111.808 174.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.83 -142.65 7.16 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.51 1.052 . . . . 0.0 114.529 175.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.73 -21.84 63.38 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.313 -1.11 . . . . 0.0 113.951 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -66.35 -10.71 45.89 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.241 1.017 . . . . 0.0 113.372 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -44.95 -48.07 11.36 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.917 1.287 . . . . 0.0 113.531 177.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.53 -35.91 91.84 Favored Glycine 0 C--N 1.34 0.767 0 O-C-N 121.903 -0.498 . . . . 0.0 113.776 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.39 -46.66 82.35 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.453 1.101 . . . . 0.0 110.047 175.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -63.96 -36.2 83.18 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.855 0.862 . . . . 0.0 111.891 176.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.95 -46.39 81.89 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-N 118.783 0.72 . . . . 0.0 112.838 171.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.71 92.71 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.228 1.014 . . . . 0.0 111.605 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.04 -41.39 98.06 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 123.634 0.774 . . . . 0.0 111.728 173.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.09 93.66 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.5 1.045 . . . . 0.0 112.603 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.2 mt -66.47 -50.79 62.14 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.601 1.16 . . . . 0.0 112.111 174.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -57.39 -45.52 84.42 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.442 -0.787 . . . . 0.0 111.822 177.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -47.62 79.04 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.272 1.829 . . . . 0.0 112.156 171.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.9 ttp -57.77 -49.61 76.03 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.765 174.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -61.32 -40.19 93.31 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.601 0.964 . . . . 0.0 113.601 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -83.89 -29.97 26.76 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.9 m -68.58 -43.96 75.4 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 119.804 1.184 . . . . 0.0 112.396 170.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -127.61 81.24 70.56 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 125.906 1.683 . . . . 0.0 109.802 -174.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.11 -27.49 17.18 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.984 3.123 . . . . 0.0 115.052 175.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 p -51.8 -35.98 46.05 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.724 1.21 . . . . 0.0 113.161 170.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.2 p -64.01 -28.11 69.58 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 174.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -63.12 -37.29 86.64 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.665 1.12 . . . . 0.0 112.535 177.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -32.4 73.93 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 121.189 -0.944 . . . . 0.0 113.063 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -62.8 -26.38 68.7 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -156.64 110.94 2.0 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 123.601 0.76 . . . . 0.0 109.921 161.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.89 -133.66 0.01 OUTLIER 'Trans proline' 0 CA--C 1.547 1.145 0 C-N-CA 123.876 3.051 . . . . 0.0 109.567 171.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 p80 58.13 -11.77 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 127.651 2.38 . . . . 0.0 116.823 -174.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -72.36 114.97 11.05 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.491 1.917 . . . . 0.0 112.45 176.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -80.61 69.83 7.2 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.355 1.462 . . . . 0.0 111.202 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.8 mt -69.71 31.86 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 125.874 1.67 . . . . 0.0 114.789 -175.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.4 m -72.71 7.76 1.79 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 127.334 2.254 . . . . 0.0 114.966 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.4 m170 75.89 124.09 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 129.032 2.933 . . . . 0.0 112.641 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.97 1.96 59.58 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 124.908 1.242 . . . . 0.0 114.997 -175.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -53.9 116.93 2.81 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.705 2.002 . . . . 0.0 114.838 -171.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.65 -37.11 72.81 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.518 1.127 . . . . 0.0 113.451 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -68.2 -31.51 71.08 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 176.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.6 t -72.92 -48.5 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 119.87 1.214 . . . . 0.0 110.837 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -60.11 -42.08 93.96 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.357 0.526 . . . . 0.0 111.638 173.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.38 -48.76 79.96 Favored Glycine 0 N--CA 1.47 0.911 0 C-N-CA 124.127 0.87 . . . . 0.0 113.06 175.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -58.65 -42.94 89.53 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.923 1.361 . . . . 0.0 111.789 173.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.9 -50.68 49.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 121.45 -0.781 . . . . 0.0 113.589 170.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -55.11 -44.99 75.45 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.311 1.044 . . . . 0.0 112.215 172.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -63.46 -50.65 68.89 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.988 0.915 . . . . 0.0 112.502 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 80.4 t -54.57 -47.45 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-N 118.98 0.809 . . . . 0.0 110.785 174.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.477 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -62.89 -41.26 99.36 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.81 -38.69 91.72 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 118.941 0.792 . . . . 0.0 111.422 175.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.13 -30.3 70.76 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 169.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.47 -43.43 94.23 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.863 1.21 . . . . 0.0 110.904 167.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.0 m -58.88 -46.28 88.2 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.36 1.436 . . . . 0.0 112.686 170.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -30.52 69.8 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.034 -1.041 . . . . 0.0 112.973 179.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.61 -56.97 14.1 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 124.241 1.016 . . . . 0.0 110.554 163.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.5 t -53.05 -41.56 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-N 119.584 1.084 . . . . 0.0 112.845 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.5 -23.87 67.58 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -138.35 29.77 2.43 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.406 1.482 . . . . 0.0 111.827 -172.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.1 p -62.67 -30.22 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -162.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -78.08 -15.09 59.2 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 173.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.3 17.46 10.64 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 127.946 2.499 . . . . 0.0 111.178 -173.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.499 ' HE1' ' HG ' ' A' ' 131' ' ' SER . 13.3 ttp -55.96 -29.42 5.72 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 126.403 1.881 . . . . 0.0 115.899 -170.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -50.25 23.53 0.02 OUTLIER 'Trans proline' 0 CA--C 1.551 1.354 1 C-N-CA 126.638 4.892 . . . . 0.0 119.123 161.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -150.2 -35.98 0.16 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.759 2.024 . . . . 0.0 111.066 169.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.89 -33.91 65.04 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 176.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 mt -96.81 7.51 46.44 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -175.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -55.39 -38.47 68.91 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 120.705 1.593 . . . . 0.0 114.67 -175.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.95 73.52 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.949 -1.094 . . . . 0.0 112.634 172.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.3 mt -79.64 -31.04 41.48 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.577 1.151 . . . . 0.0 111.216 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.0 t -54.8 -49.52 70.77 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 117.731 -1.128 . . . . 0.0 110.813 162.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -57.26 -36.67 71.27 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 120.396 1.453 . . . . 0.0 113.553 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -56.83 -62.01 2.04 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.984 0.811 . . . . 0.0 111.024 170.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.63 -25.65 66.69 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.012 -1.055 . . . . 0.0 113.77 -178.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.3 -33.37 16.13 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.896 1.225 . . . . 0.0 113.521 -173.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -135.06 2.71 3.1 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -169.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -135.98 -17.97 1.61 Allowed 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.8 mt -141.34 -46.66 0.38 Allowed 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 116.493 2.034 . . . . 0.0 116.493 -172.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 46.68 32.64 1.78 Allowed 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 126.418 1.887 . . . . 0.0 115.596 -176.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.36 142.05 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.319 1.047 . . . . 0.0 111.955 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -58.56 131.65 85.44 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 124.999 1.32 . . . . 0.0 111.801 172.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -45.16 -19.91 0.39 Allowed 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 124.698 3.599 . . . . 0.0 116.84 173.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.2 p -47.93 -40.61 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 O-C-N 120.172 -1.58 . . . . 0.0 113.361 170.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -63.38 -33.93 76.62 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.117 -0.99 . . . . 0.0 112.378 174.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -57.96 -49.62 76.19 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 119.501 1.046 . . . . 0.0 109.326 173.341 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -57.79 -40.33 79.62 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.982 0.896 . . . . 0.0 111.109 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.24 -51.11 62.94 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.764 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.2 tp -57.72 -47.92 81.04 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.649 -0.657 . . . . 0.0 112.708 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.3 p -63.57 -43.39 97.14 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.303 0.956 . . . . 0.0 111.683 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -58.46 -52.12 66.95 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 122.692 0.397 . . . . 0.0 110.621 172.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 92.7 m -60.28 -32.68 71.41 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.4 mt -68.34 -48.31 65.2 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 124.258 1.023 . . . . 0.0 111.863 173.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.0 mt -54.69 -40.53 69.25 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.426 -0.796 . . . . 0.0 110.652 173.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.6 -45.77 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 124.033 0.933 . . . . 0.0 112.826 174.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.6 p -67.58 -32.12 72.65 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.276 1.398 . . . . 0.0 112.333 177.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.71 -45.22 90.97 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.155 0.889 . . . . 0.0 111.059 169.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.07 -32.81 64.45 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.26 -12.42 61.58 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 177.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -128.48 -16.89 4.27 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -173.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.1 mp -114.4 124.63 30.38 Favored Pre-proline 0 CA--C 1.557 1.223 0 C-N-CA 124.907 1.283 . . . . 0.0 109.099 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -40.2 -61.03 0.49 Allowed 'Trans proline' 0 C--N 1.357 1.003 1 C-N-CA 125.689 4.259 . . . . 0.0 118.0 -159.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -132.63 40.8 3.24 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 125.275 1.43 . . . . 0.0 108.86 176.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -21.29 6.13 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 -164.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -62.97 7.99 0.07 Allowed 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 165.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.9 149.84 5.91 Favored Pre-proline 0 N--CA 1.477 0.923 0 CA-C-N 120.777 1.626 . . . . 0.0 111.398 -178.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.452 ' HA ' ' HB ' ' B' ' 33' ' ' VAL . 5.6 Cg_exo -48.98 -39.87 40.49 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.513 2.142 . . . . 0.0 114.83 173.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.12 -60.14 2.38 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 174.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.94 -38.05 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 120.877 -1.14 . . . . 0.0 112.695 -169.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -78.34 -43.67 27.16 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 125.349 1.46 . . . . 0.0 113.628 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.23 -48.4 76.55 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-N 119.876 1.216 . . . . 0.0 109.499 172.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.7 m -53.59 -63.29 1.2 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.709 0.804 . . . . 0.0 112.042 173.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 37.3 mt -61.22 -40.81 95.38 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 120.473 -1.392 . . . . 0.0 113.956 -175.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.04 -48.94 74.3 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.264 1.393 . . . . 0.0 111.678 177.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -28.44 65.83 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 118.727 0.694 . . . . 0.0 112.747 178.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -67.92 -45.53 74.09 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.504 1.047 . . . . 0.0 111.446 169.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.27 -31.08 69.89 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.335 -1.478 . . . . 0.0 111.417 170.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.87 65.85 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 172.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' SER . . . . . 0.499 ' HG ' ' HE1' ' A' ' 76' ' ' MET . 79.0 p -78.57 -42.28 29.6 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.397 -1.439 . . . . 0.0 111.658 170.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 73.0 t -50.43 -54.46 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.615 1.166 . . . . 0.0 109.582 169.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 87.0 p -63.63 -46.75 84.27 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.9 m -48.44 -51.66 25.82 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 118.848 0.749 . . . . 0.0 110.566 173.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 91.4 t -67.35 -43.27 87.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 118.391 0.542 . . . . 0.0 111.367 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -32.05 65.3 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.2 0.909 . . . . 0.0 113.049 175.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 98.8 m -93.85 -7.9 41.92 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.227 2.211 . . . . 0.0 112.929 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.474 0.74 0 C-N-CA 125.195 1.398 . . . . 0.0 111.551 -171.313 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . 0.426 HG12 ' H ' ' B' ' 2' ' ' HIS 0.312 5.2 p . . . . . 0 N--CA 1.516 2.856 0 CA-C-O 116.995 -1.478 . . . . 0.0 112.919 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' HIS . . . . . 0.426 ' H ' HG12 ' B' ' 1' ' ' VAL . 44.4 m80 20.2 70.84 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 128.213 2.605 . . . . 0.0 115.266 -177.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.38 156.84 12.09 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.036 0.534 . . . . 0.0 111.286 -177.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.58 147.29 83.79 Favored Pre-proline 0 N--CA 1.479 1.003 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 162.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -50.77 -38.45 56.78 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 123.099 2.533 . . . . 0.0 114.863 175.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -73.84 -36.04 64.87 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.875 0.761 . . . . 0.0 111.875 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.32 -41.05 81.39 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.502 -0.749 . . . . 0.0 111.393 171.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -54.9 -50.89 67.64 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.894 0.877 . . . . 0.0 110.736 170.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 45.4 m -55.61 -43.12 75.8 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.449 1.022 . . . . 0.0 112.137 174.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.11 -48.43 80.22 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 177.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.6 p -69.06 -55.45 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 CA-C-N 119.459 1.027 . . . . 0.0 112.461 174.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -68.45 -34.77 76.55 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.696 -1.252 . . . . 0.0 112.678 -169.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.25 -37.6 85.88 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.683 1.129 . . . . 0.0 112.207 174.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 tt -67.92 -35.39 78.37 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.456 -0.777 . . . . 0.0 111.106 172.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . 0.4 ' CZ2' ' CD1' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -61.49 -32.02 72.02 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 167.753 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.55 -37.38 93.25 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.303 0.954 . . . . 0.0 114.012 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -90.4 -16.94 28.13 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 176.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.47 HG23 HG12 ' B' ' 23' ' ' VAL . 0.3 OUTLIER -58.68 135.44 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 123.838 0.855 . . . . 0.0 112.603 -167.267 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -87.08 87.91 7.57 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.806 0.842 . . . . 0.0 109.255 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.415 HG12 HD21 ' B' ' 68' ' ' LEU . 70.3 t -52.78 -38.9 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 CA-C-N 119.574 1.079 . . . . 0.0 113.864 -170.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -45.39 76.32 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.898 0.772 . . . . 0.0 112.789 175.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -79.31 -52.87 7.54 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.834 -0.541 . . . . 0.0 110.762 -175.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.47 HG12 HG23 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -60.97 -30.93 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 123.73 0.812 . . . . 0.0 111.825 175.468 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.21 -45.74 18.44 Favored Glycine 0 C--N 1.342 0.865 0 CA-C-N 119.395 0.998 . . . . 0.0 112.067 177.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.55 -45.11 96.93 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 117.926 0.863 . . . . 0.0 112.538 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.15 -29.48 68.38 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 118.083 -0.961 . . . . 0.0 112.08 174.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.596 ' HA ' HG13 ' B' ' 113' ' ' VAL . . . -68.97 -62.28 1.45 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 121.189 1.813 . . . . 0.0 111.693 172.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.4 tp -64.05 -37.37 87.18 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.745 -0.597 . . . . 0.0 110.448 -176.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -48.78 -62.8 4.27 Favored Glycine 0 CA--C 1.525 0.692 0 CA-C-O 118.239 -1.312 . . . . 0.0 112.012 161.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -50.54 -26.13 4.88 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 120.229 2.015 . . . . 0.0 114.261 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tt -77.73 -51.11 11.08 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 120.507 1.503 . . . . 0.0 111.462 169.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.451 ' HB3' HD12 ' B' ' 48' ' ' LEU . 5.1 mp -76.72 -8.9 58.16 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.906 -1.121 . . . . 0.0 113.113 -176.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.452 ' HB ' ' HA ' ' A' ' 119' ' ' PRO . 3.0 m -74.91 -26.44 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 119.842 1.201 . . . . 0.0 114.186 172.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.12 1.42 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 CA-C-N 119.874 1.215 . . . . 0.0 113.846 -167.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.4 42.32 1.24 Allowed Pre-proline 0 CA--C 1.557 1.242 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -162.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . 0.402 ' HG2' ' HG1' ' B' ' 38' ' ' THR . 44.5 Cg_endo -73.88 164.23 35.11 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.49 2.127 . . . . 0.0 111.78 177.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -54.38 -32.84 57.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.438 1.095 . . . . 0.0 113.422 168.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.402 ' HG1' ' HG2' ' B' ' 36' ' ' PRO . 16.8 p -57.74 -20.59 35.9 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 120.606 -1.309 . . . . 0.0 113.638 173.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -60.03 -16.63 32.64 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 171.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.28 -41.81 19.62 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 121.461 1.937 . . . . 0.0 112.083 169.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -74.66 3.22 8.21 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.418 ' HB2' HD13 ' B' ' 48' ' ' LEU . 6.2 p90 -50.52 -23.16 2.32 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -179.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -50.54 -33.95 23.58 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 171.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.23 6.23 26.88 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 176.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -123.96 23.74 8.48 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.306 1.842 . . . . 0.0 111.206 -174.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.27 -97.2 0.03 OUTLIER Glycine 0 CA--C 1.539 1.569 0 C-N-CA 125.935 1.731 . . . . 0.0 116.052 168.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.79 -94.45 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 125.602 1.561 . . . . 0.0 112.788 -174.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.451 HD12 ' HB3' ' B' ' 32' ' ' LEU . 10.2 tt 58.46 -23.33 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 129.199 2.999 . . . . 0.0 118.023 174.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 59.3 p -53.81 -17.03 2.04 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 127.669 2.388 . . . . 0.0 115.939 -175.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 13.7 p -135.46 159.62 70.93 Favored Pre-proline 0 N--CA 1.472 0.672 0 C-N-CA 125.683 1.593 . . . . 0.0 111.604 166.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -57.61 -50.07 11.68 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.447 2.764 . . . . 0.0 114.451 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.29 -34.62 75.51 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.696 -0.627 . . . . 0.0 112.246 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.15 -51.26 70.37 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.458 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.81 -31.63 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 CA-C-N 121.294 1.861 . . . . 0.0 114.215 -174.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 6.1 ptp -90.6 -18.0 25.93 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 177.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.64 -14.1 55.86 Favored Glycine 0 CA--C 1.541 1.682 0 C-N-CA 124.238 0.923 . . . . 0.0 114.488 170.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -65.26 120.77 70.25 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 127.178 2.191 . . . . 0.0 113.308 -173.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -63.3 -32.53 72.76 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.783 2.322 . . . . 0.0 112.729 -177.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 38.9 tttp -70.55 -38.77 74.21 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.82 0.848 . . . . 0.0 112.309 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 72.6 t -65.9 -41.89 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.63 -0.669 . . . . 0.0 111.04 171.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -65.72 -44.23 86.66 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.472 1.033 . . . . 0.0 111.624 175.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.54 -50.19 73.67 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.673 1.124 . . . . 0.0 113.362 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -64.62 -35.85 82.36 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.002 -1.062 . . . . 0.0 111.629 173.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.57 -48.53 84.01 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 124.426 1.012 . . . . 0.0 112.78 173.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -58.25 -39.03 78.09 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.487 1.115 . . . . 0.0 111.999 171.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -66.82 -53.0 37.19 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.188 0.995 . . . . 0.0 113.374 175.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 4.5 m -60.14 -38.31 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 120.234 1.379 . . . . 0.0 111.61 176.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.415 HD21 HG12 ' B' ' 20' ' ' VAL . 7.0 tt -69.2 -44.97 71.03 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.403 -0.811 . . . . 0.0 111.903 175.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.73 -41.75 75.9 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.825 1.202 . . . . 0.0 112.029 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.29 89.89 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 171.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.4 ' CD1' ' CZ2' ' B' ' 15' ' ' TRP . 7.4 t80 -55.77 -41.58 74.23 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.884 -1.135 . . . . 0.0 112.1 170.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -63.74 -44.08 94.58 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.193 0.997 . . . . 0.0 112.228 176.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -30.31 66.21 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.761 1.224 . . . . 0.0 111.85 170.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.53 -63.2 5.44 Favored Glycine 0 C--N 1.34 0.753 0 C-N-CA 125.002 1.287 . . . . 0.0 110.659 169.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.56 -32.09 62.7 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.814 1.307 . . . . 0.0 113.833 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.84 -28.91 67.95 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 173.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -142.78 45.1 1.59 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.488 1.515 . . . . 0.0 113.183 -169.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.76 -19.66 59.69 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 120.774 -1.204 . . . . 0.0 113.987 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.85 -40.44 21.43 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.607 1.963 . . . . 0.0 114.041 177.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -157.29 134.39 10.29 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.303 1.041 . . . . 0.0 111.22 169.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 48.1 mt -104.15 -43.4 5.26 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.35 0.66 . . . . 0.0 112.142 -173.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -57.61 -24.84 58.56 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 125.541 1.536 . . . . 0.0 113.929 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.94 4.04 58.91 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 126.235 1.874 . . . . 0.0 115.429 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.23 -19.84 5.43 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.098 1.449 . . . . 0.0 113.529 173.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -106.83 13.3 28.0 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.681 1.193 . . . . 0.0 113.875 174.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.41 -40.14 64.88 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.93 1.241 . . . . 0.0 113.753 -177.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 6.2 p -64.42 -42.45 96.03 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.443 1.097 . . . . 0.0 112.664 173.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 15.4 mt -70.07 -32.79 71.05 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.702 -0.623 . . . . 0.0 112.026 175.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.566 ' HG ' ' HB3' ' B' ' 143' ' ' HIS . 7.3 t -62.93 -46.65 86.76 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.035 0.934 . . . . 0.0 111.31 172.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -62.71 -37.95 88.51 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.245 -0.91 . . . . 0.0 112.728 171.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.54 -56.66 17.6 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.557 -1.339 . . . . 0.0 111.953 174.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -73.96 -21.96 59.81 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 37.9 t -97.41 -53.3 3.5 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 174.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -85.83 -38.57 17.99 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.62 1.555 . . . . 0.0 113.264 -171.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -85.5 -28.65 24.84 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 77.1 mt -119.44 -39.59 2.87 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -174.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 50.89 18.09 0.48 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 127.646 2.378 . . . . 0.0 116.316 -178.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 1.3 m -52.02 140.96 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.015 1.726 . . . . 0.0 112.672 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.07 136.27 96.61 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-O 119.13 -0.462 . . . . 0.0 112.22 -175.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -48.78 -35.27 30.18 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.12 3.214 . . . . 0.0 116.599 -175.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -50.25 -30.39 11.6 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.32 -1.488 . . . . 0.0 113.274 173.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -62.76 -37.79 88.0 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.328 1.051 . . . . 0.0 111.597 176.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' B' ' 104' ' ' ARG . 0.4 OUTLIER -61.59 -46.26 90.6 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.625 1.102 . . . . 0.0 110.513 172.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' ARG . . . . . 0.407 ' N ' ' CD1' ' B' ' 103' ' ' PHE . 8.3 tpm_? -64.65 -36.9 85.75 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.922 0.889 . . . . 0.0 110.166 -173.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -47.6 85.64 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.175 0.99 . . . . 0.0 111.911 170.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -38.24 85.4 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.431 1.014 . . . . 0.0 111.403 176.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -64.05 -54.42 30.5 Favored Glycine 0 N--CA 1.466 0.69 0 O-C-N 121.51 -0.744 . . . . 0.0 113.236 174.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -58.11 -32.02 67.7 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 118.04 0.92 . . . . 0.0 111.536 177.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 6.7 t -63.67 -57.02 13.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 120.869 -1.144 . . . . 0.0 112.052 167.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 48.4 tp -56.35 -45.49 80.4 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 119.362 0.983 . . . . 0.0 111.796 -176.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.6 m -61.7 -26.7 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 121.452 -0.78 . . . . 0.0 112.389 178.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 20.3 t -94.21 -35.11 12.63 Favored 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -172.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . 0.596 HG13 ' HA ' ' B' ' 27' ' ' ALA . 0.2 OUTLIER -55.84 -38.57 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-N 120.106 1.321 . . . . 0.0 110.183 167.339 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 35.7 mt -64.0 -43.54 95.37 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.129 0.422 . . . . 0.0 111.357 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.02 -21.92 65.29 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 170.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.98 -60.01 2.51 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.128 0.876 . . . . 0.0 111.103 167.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -66.82 -26.0 66.72 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.606 0.639 . . . . 0.0 112.418 -170.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -129.99 39.38 3.69 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.857 1.663 . . . . 0.0 110.282 -175.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -49.05 -40.32 27.92 Favored Glycine 0 N--CA 1.474 1.192 0 C-N-CA 125.171 1.367 . . . . 0.0 114.629 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -9.6 5.49 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 171.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -134.82 11.09 3.66 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.163 1.785 . . . . 0.0 113.078 -176.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.16 27.14 0.06 Allowed 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -168.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 18.9 p -43.46 144.73 1.22 Allowed Pre-proline 0 N--CA 1.485 1.298 0 CA-C-N 120.23 1.377 . . . . 0.0 114.375 -159.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -41.64 -47.38 6.06 Favored 'Trans proline' 0 CA--C 1.546 1.108 0 C-N-CA 122.951 2.434 . . . . 0.0 115.444 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.58 -23.75 31.28 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 121.911 1.741 . . . . 0.0 115.229 173.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.44 -47.96 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 121.135 1.789 . . . . 0.0 110.413 173.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -64.26 -43.75 93.89 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.247 -0.908 . . . . 0.0 111.524 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.79 -32.6 69.47 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.386 0.675 . . . . 0.0 112.562 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.67 -52.18 22.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.429 0.691 . . . . 0.0 110.419 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -53.67 -46.87 70.76 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.517 0.599 . . . . 0.0 112.052 172.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -59.81 -39.25 84.37 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 117.912 -1.042 . . . . 0.0 112.971 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.34 -39.85 89.46 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 120.283 1.401 . . . . 0.0 113.377 172.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 17.5 t -65.88 -47.31 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 CA-C-N 119.754 1.161 . . . . 0.0 111.084 174.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.64 -40.84 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.223 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.76 -44.66 86.31 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.997 1.271 . . . . 0.0 111.22 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -60.08 -54.56 36.39 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 121.784 -0.573 . . . . 0.0 112.993 171.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -44.46 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 118.353 1.076 . . . . 0.0 110.465 -177.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.04 -41.74 94.96 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.579 1.152 . . . . 0.0 113.315 176.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -64.55 -19.55 65.69 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.416 1.007 . . . . 0.0 112.404 172.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.35 24.26 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.095 -1.003 . . . . 0.0 111.897 165.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.38 -27.65 69.23 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.551 -1.343 . . . . 0.0 112.799 174.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -75.11 -15.58 60.59 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.611 1.964 . . . . 0.0 113.922 172.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 143' ' ' HIS . . . . . 0.566 ' HB3' ' HG ' ' B' ' 89' ' ' SER . 7.2 t60 -52.87 -44.76 67.07 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.943 1.701 . . . . 0.0 114.286 -173.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -68.94 -15.0 63.37 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 173.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.555 1.16 0 C-N-CA 126.595 1.958 . . . . 0.0 113.281 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.272 3.0 p . . . . . 0 N--CA 1.513 2.698 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 58.6 mt -141.96 165.98 25.97 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 120.645 1.566 . . . . 0.0 113.282 -172.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.35 165.79 24.37 Favored Pre-proline 0 N--CA 1.479 0.983 0 C-N-CA 126.826 2.051 . . . . 0.0 113.15 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -78.76 -49.74 0.08 OUTLIER 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 123.362 2.708 . . . . 0.0 114.138 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.72 -29.19 70.48 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 121.367 -0.833 . . . . 0.0 112.408 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -47.93 -61.43 1.96 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.856 1.262 . . . . 0.0 112.2 165.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -54.51 -47.25 73.3 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.82 0.848 . . . . 0.0 110.599 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 56.5 m -54.99 -49.23 72.01 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 118.819 0.736 . . . . 0.0 112.6 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -66.44 -37.43 85.14 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.997 0.817 . . . . 0.0 112.993 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 84.9 t -63.5 -48.34 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 118.753 -0.641 . . . . 0.0 110.922 174.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -58.32 -44.27 88.55 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.496 1.044 . . . . 0.0 111.284 174.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.88 -53.36 59.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.376 0.671 . . . . 0.0 111.661 176.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.2 -52.42 65.38 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.225 0.61 . . . . 0.0 111.598 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -62.21 -27.34 68.91 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.25 -42.03 98.03 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.613 1.101 . . . . 0.0 113.42 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -70.98 -36.01 72.33 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 118.592 1.196 . . . . 0.0 111.195 173.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.97 -43.0 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.436 1.094 . . . . 0.0 111.856 174.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.78 -142.6 7.12 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.501 1.048 . . . . 0.0 114.568 175.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.72 -21.82 63.34 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -66.26 -10.91 46.78 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.344 1.058 . . . . 0.0 113.394 177.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . 0.481 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -44.8 -48.22 10.94 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.88 1.272 . . . . 0.0 113.589 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.27 -36.12 92.39 Favored Glycine 0 N--CA 1.467 0.748 0 O-C-N 121.893 -0.505 . . . . 0.0 113.859 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.38 -46.51 83.0 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.395 1.078 . . . . 0.0 110.11 175.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -64.04 -36.2 83.23 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.75 0.82 . . . . 0.0 111.972 176.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.88 -46.36 82.66 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-N 118.67 0.668 . . . . 0.0 112.862 171.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.75 92.54 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.194 0.997 . . . . 0.0 111.602 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.97 -41.39 97.96 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 123.592 0.757 . . . . 0.0 111.86 173.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.18 -39.02 93.45 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.347 0.976 . . . . 0.0 112.671 176.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 45.5 mt -66.46 -50.83 62.01 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.632 1.173 . . . . 0.0 112.079 173.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -57.33 -45.59 84.12 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.363 -0.836 . . . . 0.0 111.786 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -47.47 79.95 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.18 1.792 . . . . 0.0 112.088 172.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 62.9 ttp -57.76 -49.64 75.92 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 118.69 0.677 . . . . 0.0 111.772 174.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -61.31 -40.25 93.5 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 pp -84.0 -29.63 26.81 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 66.2 m -68.65 -44.1 74.84 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.79 1.177 . . . . 0.0 112.316 170.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -127.58 81.28 70.46 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 125.89 1.676 . . . . 0.0 109.72 -174.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -50.1 -27.36 16.84 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.815 3.01 . . . . 0.0 115.193 175.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 2.2 p -51.92 -35.84 46.95 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.78 1.232 . . . . 0.0 113.122 170.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 69.7 p -64.33 -27.82 69.29 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -63.18 -37.26 86.54 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.619 1.099 . . . . 0.0 112.527 177.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.19 -32.27 73.79 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 121.179 -0.951 . . . . 0.0 113.016 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -62.81 -26.35 68.7 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -176.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -156.78 110.85 1.97 Allowed Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 123.446 0.699 . . . . 0.0 109.813 161.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -74.81 -133.77 0.01 OUTLIER 'Trans proline' 0 CA--C 1.549 1.253 0 C-N-CA 123.817 3.012 . . . . 0.0 109.552 171.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 p80 58.32 -11.85 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 127.579 2.352 . . . . 0.0 116.709 -174.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -72.29 114.95 10.95 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.523 1.929 . . . . 0.0 112.418 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -80.67 69.87 7.29 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.326 1.45 . . . . 0.0 111.148 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 36.8 mt -69.54 31.82 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.872 1.669 . . . . 0.0 114.836 -175.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 33.9 m -72.89 7.96 1.77 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.283 2.233 . . . . 0.0 114.962 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 12.5 m170 75.61 124.3 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 129.106 2.963 . . . . 0.0 112.657 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.92 2.04 59.64 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 124.909 1.243 . . . . 0.0 114.986 -175.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -53.98 117.01 2.87 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.835 2.054 . . . . 0.0 114.681 -170.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.72 -37.17 73.06 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.512 1.125 . . . . 0.0 113.373 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -68.17 -31.61 71.28 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 176.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 64.5 t -72.95 -48.34 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 119.897 1.226 . . . . 0.0 110.857 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -60.27 -41.92 94.29 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.338 0.517 . . . . 0.0 111.721 173.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.43 -48.67 80.44 Favored Glycine 0 N--CA 1.469 0.89 0 C-N-CA 124.168 0.889 . . . . 0.0 113.106 175.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -58.71 -43.05 90.0 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.868 1.334 . . . . 0.0 111.681 173.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.84 -50.69 49.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 121.437 -0.79 . . . . 0.0 113.581 170.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -55.06 -45.01 75.26 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.268 1.027 . . . . 0.0 112.201 172.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -63.6 -50.45 69.38 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.876 0.871 . . . . 0.0 112.512 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 80.6 t -54.74 -47.25 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.841 0.746 . . . . 0.0 110.859 174.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 63' ' ' ALA . . . . . 0.481 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -62.89 -41.29 99.37 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 178.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.96 -38.46 91.19 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.77 0.713 . . . . 0.0 111.394 175.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.22 -30.35 70.78 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 169.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.46 -43.42 94.3 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.894 1.225 . . . . 0.0 111.001 167.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 29.8 m -58.8 -46.39 87.7 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 120.266 1.394 . . . . 0.0 112.662 170.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -30.58 69.96 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.002 -1.061 . . . . 0.0 112.941 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.79 -56.77 16.0 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.269 1.028 . . . . 0.0 110.441 163.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 71.4 t -53.14 -41.54 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.709 1.14 . . . . 0.0 112.674 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.64 -23.88 67.56 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -138.3 29.67 2.45 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.442 1.497 . . . . 0.0 111.87 -172.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 12.9 p -62.76 -30.18 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -162.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -78.02 -15.14 59.19 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 173.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.3 17.5 10.64 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.883 2.473 . . . . 0.0 111.053 -173.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 13.3 ttp -55.91 -29.53 5.91 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 126.359 1.864 . . . . 0.0 115.906 -170.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -50.05 23.39 0.02 OUTLIER 'Trans proline' 0 CA--C 1.553 1.426 1 C-N-CA 126.743 4.962 . . . . 0.0 119.09 161.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -150.18 -36.05 0.16 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.745 2.018 . . . . 0.0 111.014 169.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.77 -33.97 64.82 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 mt -96.83 7.6 46.24 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -175.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 67.3 m -55.47 -38.38 69.02 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 120.672 1.578 . . . . 0.0 114.601 -175.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.09 -32.84 73.43 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.913 -1.117 . . . . 0.0 112.677 172.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 2.3 mt -79.78 -31.0 40.82 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.624 1.17 . . . . 0.0 111.206 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 45.1 t -54.82 -49.62 70.57 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 117.74 -1.124 . . . . 0.0 110.767 162.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -57.19 -36.69 71.13 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.45 1.477 . . . . 0.0 113.572 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -56.76 -62.23 1.88 Allowed 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.023 0.829 . . . . 0.0 110.853 170.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.57 -25.5 66.67 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -178.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.49 -33.2 16.04 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.926 1.239 . . . . 0.0 113.547 -173.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -135.19 2.79 3.08 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 -169.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -135.98 -18.2 1.6 Allowed 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 16.7 mt -141.23 -46.46 0.38 Allowed 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 116.539 2.051 . . . . 0.0 116.539 -172.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 46.46 32.62 1.65 Allowed 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 126.413 1.885 . . . . 0.0 115.708 -176.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 95.3 t -71.3 142.09 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.392 1.077 . . . . 0.0 111.93 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -58.65 131.74 85.74 Favored Pre-proline 0 CA--C 1.554 1.131 0 C-N-CA 125.051 1.34 . . . . 0.0 111.693 172.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -45.22 -19.84 0.4 Allowed 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.765 3.643 . . . . 0.0 116.793 173.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 10.2 p -47.92 -40.71 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 120.105 -1.622 . . . . 0.0 113.402 170.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -63.38 -33.9 76.56 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.198 -0.939 . . . . 0.0 112.379 174.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -57.98 -49.56 76.4 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.449 1.022 . . . . 0.0 109.316 173.345 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -57.89 -40.3 79.94 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.927 0.87 . . . . 0.0 110.978 -174.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.28 -51.12 62.83 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.653 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 52.4 tp -57.67 -48.05 80.58 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.644 -0.66 . . . . 0.0 112.666 176.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 88.1 p -63.58 -43.41 97.08 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.329 0.968 . . . . 0.0 111.681 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -58.51 -51.99 67.55 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.618 0.367 . . . . 0.0 110.633 172.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 92.7 m -60.49 -32.43 71.42 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 36.5 mt -68.5 -48.23 64.94 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.153 0.981 . . . . 0.0 111.809 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 18.1 mt -54.72 -40.57 69.37 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.488 -0.757 . . . . 0.0 110.64 173.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 76.2 t -63.52 -45.73 96.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.04 0.936 . . . . 0.0 112.877 174.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 19.6 p -67.57 -32.23 72.84 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 120.328 1.422 . . . . 0.0 112.446 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.75 -45.14 91.19 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.996 0.816 . . . . 0.0 111.082 169.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.06 -32.87 64.47 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.41 -12.24 61.45 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -128.56 -16.85 4.23 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -173.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.0 mp -114.38 124.49 30.64 Favored Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 124.969 1.308 . . . . 0.0 109.197 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -40.19 -61.03 0.49 Allowed 'Trans proline' 0 C--N 1.358 1.037 1 C-N-CA 125.789 4.326 . . . . 0.0 117.981 -159.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -132.62 40.96 3.23 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 125.321 1.448 . . . . 0.0 108.836 176.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -21.37 6.33 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -164.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -62.85 7.94 0.07 Allowed 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 165.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.82 149.87 5.77 Favored Pre-proline 0 N--CA 1.477 0.911 0 CA-C-N 120.856 1.662 . . . . 0.0 111.268 -178.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 119' ' ' PRO . . . . . 0.456 ' HA ' ' HB ' ' D' ' 33' ' ' VAL . 5.6 Cg_exo -48.95 -40.06 40.29 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.526 2.151 . . . . 0.0 114.784 173.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.02 -60.21 2.35 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 174.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.93 -37.96 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 120.954 -1.091 . . . . 0.0 112.694 -169.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 20.8 t-160 -78.36 -43.71 26.99 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.382 1.473 . . . . 0.0 113.57 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.32 -48.32 76.96 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 119.832 1.196 . . . . 0.0 109.438 172.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 29.3 m -53.74 -63.24 1.21 Allowed 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.572 0.749 . . . . 0.0 112.046 173.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 37.6 mt -61.12 -40.81 95.18 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 120.516 -1.365 . . . . 0.0 113.895 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -64.23 -48.73 74.69 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 120.29 1.404 . . . . 0.0 111.702 177.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -28.24 65.44 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.69 0.677 . . . . 0.0 112.721 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -67.95 -45.57 73.87 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.511 1.051 . . . . 0.0 111.501 169.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.11 -31.2 69.82 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.289 -1.507 . . . . 0.0 111.443 170.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.87 -30.8 65.8 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 172.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 78.9 p -78.71 -42.27 28.81 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.25 -1.531 . . . . 0.0 111.627 170.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 73.4 t -50.41 -54.53 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.659 1.183 . . . . 0.0 109.586 169.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 87.4 p -63.68 -46.71 84.3 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 1.9 m -48.34 -51.73 24.86 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.003 0.82 . . . . 0.0 110.657 173.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.13 -43.39 88.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 123.153 0.581 . . . . 0.0 111.535 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -31.96 65.49 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.928 0.891 . . . . 0.0 112.891 175.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 98.9 m -93.93 -7.97 41.48 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.3 2.24 . . . . 0.0 112.883 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.473 0.711 0 C-N-CA 125.162 1.385 . . . . 0.0 111.49 -171.35 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . 0.4 HG13 ' H ' ' D' ' 2' ' ' HIS 0.313 5.3 p . . . . . 0 N--CA 1.516 2.85 0 CA-C-O 117.004 -1.474 . . . . 0.0 112.95 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 2' ' ' HIS . . . . . 0.4 ' H ' HG13 ' D' ' 1' ' ' VAL . 44.4 m80 20.25 70.68 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 128.212 2.605 . . . . 0.0 115.355 -177.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.41 156.79 12.25 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.198 -177.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.49 147.25 83.35 Favored Pre-proline 0 N--CA 1.477 0.888 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.013 162.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -50.84 -38.46 57.45 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.909 2.406 . . . . 0.0 114.837 175.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -73.72 -36.03 65.16 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.907 0.776 . . . . 0.0 111.942 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -41.22 81.27 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.542 -0.724 . . . . 0.0 111.371 171.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -54.72 -51.3 66.05 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.682 170.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 45.8 m -55.34 -43.06 74.62 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.603 1.092 . . . . 0.0 112.185 174.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.38 -48.08 81.77 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 118.938 0.79 . . . . 0.0 112.966 177.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 3.6 p -69.31 -55.34 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 CA-C-N 119.494 1.043 . . . . 0.0 112.426 174.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -68.54 -34.74 76.39 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.708 -1.245 . . . . 0.0 112.715 -169.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.54 85.66 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.564 1.075 . . . . 0.0 112.127 174.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 tt -68.09 -35.4 78.11 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.33 -0.856 . . . . 0.0 111.008 172.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -32.12 71.94 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 167.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.53 -37.37 93.22 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.189 0.9 . . . . 0.0 114.099 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -90.42 -16.9 28.17 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.462 HG23 HG12 ' D' ' 23' ' ' VAL . 0.3 OUTLIER -58.68 135.39 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.763 0.825 . . . . 0.0 112.65 -167.334 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -87.07 88.12 7.62 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.759 0.824 . . . . 0.0 109.17 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . 0.422 HG12 HD21 ' D' ' 68' ' ' LEU . 70.5 t -52.98 -38.87 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-N 119.553 1.069 . . . . 0.0 113.828 -170.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -45.42 76.69 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 118.97 0.804 . . . . 0.0 112.85 175.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -79.26 -52.8 7.65 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.874 -0.516 . . . . 0.0 110.848 -175.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . 0.462 HG12 HG23 ' D' ' 18' ' ' VAL . 0.3 OUTLIER -61.05 -30.76 48.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.414 0 C-N-CA 123.772 0.829 . . . . 0.0 111.897 175.432 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.46 -45.67 17.69 Favored Glycine 0 C--N 1.341 0.854 0 CA-C-N 119.304 0.956 . . . . 0.0 111.985 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.63 -45.08 97.04 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-N 118.021 0.911 . . . . 0.0 112.52 170.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.16 -29.41 68.28 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-O 118.039 -0.982 . . . . 0.0 112.136 174.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 27' ' ' ALA . . . . . 0.59 ' HA ' HG13 ' D' ' 113' ' ' VAL . . . -68.91 -62.32 1.43 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 121.268 1.849 . . . . 0.0 111.703 172.155 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 17.4 tp -64.06 -37.37 87.19 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.661 -0.649 . . . . 0.0 110.453 -176.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -48.89 -62.75 4.34 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-O 118.18 -1.344 . . . . 0.0 111.985 161.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -50.5 -26.17 4.85 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 120.359 2.08 . . . . 0.0 114.305 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 tt -77.67 -51.25 10.9 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 120.562 1.528 . . . . 0.0 111.523 168.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . 0.447 ' HB3' HD12 ' D' ' 48' ' ' LEU . 5.1 mp -76.46 -9.04 58.35 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 120.885 -1.135 . . . . 0.0 113.115 -176.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 33' ' ' VAL . . . . . 0.456 ' HB ' ' HA ' ' C' ' 119' ' ' PRO . 2.9 m -74.8 -26.58 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 119.846 1.203 . . . . 0.0 114.116 172.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.16 1.51 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 CA-C-N 119.947 1.249 . . . . 0.0 113.845 -166.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.31 42.34 1.25 Allowed Pre-proline 0 CA--C 1.556 1.199 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -162.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 36' ' ' PRO . . . . . 0.405 ' HG2' ' HG1' ' D' ' 38' ' ' THR . 44.4 Cg_endo -73.89 164.24 35.07 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.451 2.101 . . . . 0.0 111.747 177.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -54.31 -32.96 57.76 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.406 1.082 . . . . 0.0 113.438 168.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 38' ' ' THR . . . . . 0.405 ' HG1' ' HG2' ' D' ' 36' ' ' PRO . 16.8 p -57.68 -20.53 34.48 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 120.558 -1.339 . . . . 0.0 113.661 173.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -60.01 -16.79 33.73 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 171.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.23 -41.78 19.1 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 121.468 1.94 . . . . 0.0 112.109 169.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -74.62 3.14 8.29 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 42' ' ' PHE . . . . . 0.406 ' HB2' HD13 ' D' ' 48' ' ' LEU . 6.2 p90 -50.59 -23.07 2.31 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -179.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -50.49 -34.04 23.55 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 171.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.09 6.07 27.06 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 176.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -123.91 23.83 8.49 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.373 1.869 . . . . 0.0 111.284 -174.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.13 -97.34 0.03 OUTLIER Glycine 0 CA--C 1.538 1.517 0 C-N-CA 125.778 1.656 . . . . 0.0 116.137 168.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.81 -94.5 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 125.643 1.577 . . . . 0.0 112.681 -174.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 48' ' ' LEU . . . . . 0.447 HD12 ' HB3' ' D' ' 32' ' ' LEU . 10.2 tt 58.6 -23.44 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 129.187 2.995 . . . . 0.0 117.995 174.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 59.7 p -53.8 -17.15 2.13 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.597 2.359 . . . . 0.0 115.944 -175.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 13.3 p -135.29 159.62 71.11 Favored Pre-proline 0 N--CA 1.471 0.608 0 C-N-CA 125.709 1.604 . . . . 0.0 111.659 166.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.45 -50.17 11.62 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.454 2.77 . . . . 0.0 114.535 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.24 -34.77 75.69 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.534 -0.729 . . . . 0.0 112.072 176.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.19 70.67 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 118.272 -0.87 . . . . 0.0 111.511 176.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 1.3 p -58.78 -31.65 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 CA-C-N 121.303 1.865 . . . . 0.0 114.239 -174.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 6.1 ptp -90.56 -17.94 26.09 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 177.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.79 -14.07 55.7 Favored Glycine 0 CA--C 1.54 1.649 0 C-N-CA 124.216 0.912 . . . . 0.0 114.439 170.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -65.23 120.9 71.32 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 127.014 2.126 . . . . 0.0 113.381 -173.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -63.4 -32.5 71.61 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.815 2.344 . . . . 0.0 112.764 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -70.43 -38.94 74.63 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.969 0.907 . . . . 0.0 112.301 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.82 -41.84 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.528 -0.733 . . . . 0.0 111.077 171.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -66.07 -43.88 86.1 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.479 1.036 . . . . 0.0 111.672 175.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.53 -50.37 72.96 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.799 1.181 . . . . 0.0 113.33 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -64.5 -35.86 82.33 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 120.837 -1.165 . . . . 0.0 111.707 173.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.52 -48.51 83.94 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 124.415 1.007 . . . . 0.0 112.716 173.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -58.35 -39.02 78.37 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.496 1.118 . . . . 0.0 111.977 171.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -66.8 -52.94 38.05 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.236 1.015 . . . . 0.0 113.471 175.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 4.4 m -59.94 -38.57 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 120.2 1.364 . . . . 0.0 111.633 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . 0.422 HD21 HG12 ' D' ' 20' ' ' VAL . 7.0 tt -69.08 -45.06 71.25 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.281 -0.887 . . . . 0.0 111.912 175.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.74 -41.66 75.77 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 124.884 1.231 . . . . 0.0 112.022 177.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.08 -46.18 90.21 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 171.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -55.97 -41.46 74.8 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 119.628 1.104 . . . . 0.0 112.134 170.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -63.8 -44.08 94.36 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.181 0.993 . . . . 0.0 112.138 176.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.18 -30.21 66.25 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.602 1.161 . . . . 0.0 112.027 170.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.51 -63.19 5.45 Favored Glycine 0 C--N 1.341 0.83 0 C-N-CA 124.864 1.221 . . . . 0.0 110.733 168.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.4 -32.18 62.45 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.776 1.288 . . . . 0.0 113.87 177.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.72 -28.9 68.05 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 173.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -142.82 44.95 1.59 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.43 1.492 . . . . 0.0 113.244 -169.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.68 -19.57 58.79 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.699 -1.25 . . . . 0.0 114.029 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.93 -40.54 22.31 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.648 1.979 . . . . 0.0 113.927 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -157.16 134.48 10.49 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.333 1.053 . . . . 0.0 111.204 169.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 47.5 mt -104.2 -43.43 5.24 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.472 0.709 . . . . 0.0 112.201 -173.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -57.55 -24.9 58.75 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.507 1.523 . . . . 0.0 113.954 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.79 4.0 59.19 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 126.216 1.865 . . . . 0.0 115.554 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.25 -19.85 5.42 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 119.1 1.45 . . . . 0.0 113.376 173.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -106.71 13.17 28.38 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.668 1.187 . . . . 0.0 113.966 174.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.34 -40.2 64.71 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.833 1.197 . . . . 0.0 113.754 -177.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 6.2 p -64.39 -42.43 96.13 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.315 1.046 . . . . 0.0 112.666 173.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 15.5 mt -70.13 -32.7 70.83 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.615 -0.678 . . . . 0.0 111.95 175.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 89' ' ' SER . . . . . 0.568 ' HG ' ' HB3' ' D' ' 143' ' ' HIS . 7.3 t -63.08 -46.49 87.18 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.999 0.92 . . . . 0.0 111.359 172.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.83 -37.78 88.15 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.112 -0.992 . . . . 0.0 112.716 171.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.71 -56.59 18.03 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.489 -1.382 . . . . 0.0 111.9 174.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -74.07 -21.8 59.78 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -174.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 38.2 t -97.58 -53.39 3.45 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 174.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -85.63 -38.72 18.09 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.669 1.577 . . . . 0.0 113.254 -171.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -85.37 -28.65 25.03 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 77.2 mt -119.42 -39.7 2.86 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -174.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 50.89 18.16 0.49 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 127.683 2.393 . . . . 0.0 116.348 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 1.2 m -52.16 140.96 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.931 1.692 . . . . 0.0 112.675 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.0 136.24 96.59 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-O 119.091 -0.481 . . . . 0.0 112.239 -175.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -48.67 -35.42 29.81 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 124.235 3.29 . . . . 0.0 116.673 -175.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -50.12 -30.54 11.35 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.286 -1.509 . . . . 0.0 113.279 173.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -62.79 -37.73 87.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.295 1.038 . . . . 0.0 111.548 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 103' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' D' ' 104' ' ' ARG . 0.4 OUTLIER -61.55 -46.18 91.01 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.601 1.091 . . . . 0.0 110.628 172.808 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 104' ' ' ARG . . . . . 0.408 ' N ' ' CD1' ' D' ' 103' ' ' PHE . 8.3 tpm_? -64.73 -36.96 85.97 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.974 0.909 . . . . 0.0 110.101 -173.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.78 -47.54 85.85 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.09 0.956 . . . . 0.0 112.007 170.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -38.19 85.53 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.581 1.082 . . . . 0.0 111.355 176.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -64.05 -54.44 30.4 Favored Glycine 0 N--CA 1.464 0.507 0 O-C-N 121.569 -0.707 . . . . 0.0 113.227 174.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -58.11 -31.99 67.67 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 121.96 0.886 . . . . 0.0 111.557 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 6.8 t -63.67 -57.06 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 120.85 -1.156 . . . . 0.0 112.008 167.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 48.3 tp -56.43 -45.46 80.75 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.383 0.992 . . . . 0.0 111.803 -177.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 2.6 m -61.59 -26.76 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 121.447 -0.783 . . . . 0.0 112.45 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 20.1 t -94.2 -35.08 12.65 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 -172.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 113' ' ' VAL . . . . . 0.59 HG13 ' HA ' ' D' ' 27' ' ' ALA . 0.2 OUTLIER -55.88 -38.52 52.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 CA-C-N 120.213 1.37 . . . . 0.0 110.246 167.269 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 35.7 mt -63.93 -43.45 95.85 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 118.177 0.444 . . . . 0.0 111.405 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.1 -21.93 65.39 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 170.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -60.06 2.49 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.247 0.93 . . . . 0.0 111.01 167.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -25.81 66.57 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.564 0.62 . . . . 0.0 112.537 -170.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -129.87 39.14 3.73 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.0 1.72 . . . . 0.0 110.32 -175.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -48.97 -40.49 27.59 Favored Glycine 0 N--CA 1.475 1.257 0 C-N-CA 125.145 1.355 . . . . 0.0 114.584 178.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -9.7 5.06 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 171.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -134.82 11.25 3.66 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.225 1.81 . . . . 0.0 113.052 -176.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.16 27.1 0.06 Allowed 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 -168.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 19.2 p -43.54 144.82 1.23 Allowed Pre-proline 0 N--CA 1.486 1.328 0 CA-C-N 120.292 1.405 . . . . 0.0 114.182 -159.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -41.91 -47.35 6.54 Favored 'Trans proline' 0 CA--C 1.547 1.125 0 C-N-CA 122.835 2.357 . . . . 0.0 115.389 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.47 -23.7 31.84 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 121.828 1.685 . . . . 0.0 115.26 173.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -47.93 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 121.194 1.816 . . . . 0.0 110.397 173.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -64.44 -43.83 93.05 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.311 -0.868 . . . . 0.0 111.435 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.57 -32.65 69.13 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.463 0.705 . . . . 0.0 112.581 174.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.56 -52.29 22.66 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.577 0.751 . . . . 0.0 110.448 176.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -53.66 -46.78 70.7 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.013 0.525 . . . . 0.0 112.043 172.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -59.97 -39.09 84.45 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 117.837 -1.077 . . . . 0.0 112.961 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.22 -40.08 90.05 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 120.376 1.444 . . . . 0.0 113.329 172.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 17.8 t -65.92 -47.29 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 CA-C-N 119.616 1.098 . . . . 0.0 111.024 174.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.64 -40.84 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.27 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.86 -44.68 86.75 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.934 1.243 . . . . 0.0 111.185 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.96 -54.54 36.66 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 121.846 -0.534 . . . . 0.0 113.007 171.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.76 -44.35 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 118.384 1.092 . . . . 0.0 110.361 -177.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.92 -42.0 95.07 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.728 1.211 . . . . 0.0 113.222 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -64.44 -19.48 65.57 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.367 0.985 . . . . 0.0 112.403 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.98 -42.28 24.23 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.058 -1.026 . . . . 0.0 111.905 165.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.32 -27.75 69.26 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 120.497 -1.377 . . . . 0.0 112.836 174.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -75.06 -15.55 60.62 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.415 1.886 . . . . 0.0 114.072 172.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 143' ' ' HIS . . . . . 0.568 ' HB3' ' HG ' ' D' ' 89' ' ' SER . 7.3 t60 -52.76 -44.74 66.7 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 120.794 1.634 . . . . 0.0 114.175 -173.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -69.14 -14.87 63.24 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 174.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -102.3 -19.52 14.99 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 126.701 2.0 . . . . 0.0 113.2 178.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . 0.28 0.2 OUTLIER . . . . . 0 C--O 1.254 1.33 0 C-N-CA 128.718 2.807 . . . . 0.0 115.028 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.509 2.495 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.5 mt -137.5 -176.86 4.55 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 119.946 -1.722 . . . . 0.0 111.126 -169.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.95 167.83 16.44 Favored Pre-proline 0 N--CA 1.487 1.375 0 C-N-CA 124.691 1.196 . . . . 0.0 112.718 -176.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.53 -50.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.272 1.981 . . . . 0.0 114.525 -169.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.25 -35.14 73.6 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -169.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -63.5 -37.71 88.33 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.127 -0.983 . . . . 0.0 112.341 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -59.17 -42.44 90.81 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.718 1.145 . . . . 0.0 111.945 173.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.8 m -59.39 -40.66 87.3 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.045 0.538 . . . . 0.0 111.12 174.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -67.96 -36.91 80.87 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.758 -0.588 . . . . 0.0 112.206 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.7 t -61.08 -48.07 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 119.435 1.016 . . . . 0.0 111.244 169.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.14 -44.29 97.56 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.669 0.668 . . . . 0.0 111.812 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.42 -52.96 63.41 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.427 0.691 . . . . 0.0 111.448 174.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.79 -53.82 52.04 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.14 0.976 . . . . 0.0 112.546 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.2 t-105 -63.39 -30.04 71.24 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.327 -0.858 . . . . 0.0 112.919 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.73 -36.68 90.62 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.456 1.027 . . . . 0.0 113.221 169.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -73.95 -36.81 64.66 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 118.456 1.128 . . . . 0.0 111.468 172.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.34 -54.4 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.777 0.831 . . . . 0.0 111.268 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.13 -128.06 4.41 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.336 0.97 . . . . 0.0 113.863 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.07 -22.44 50.37 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -72.31 -7.0 47.17 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.79 -44.2 63.35 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.789 -1.194 . . . . 0.0 112.772 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.04 -46.07 94.8 Favored Glycine 0 N--CA 1.469 0.895 0 C-N-CA 123.812 0.72 . . . . 0.0 113.829 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -67.86 -36.93 81.16 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.491 1.145 . . . . 0.0 112.05 177.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -66.86 -37.59 84.74 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.071 -1.018 . . . . 0.0 112.585 173.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.67 -44.01 90.62 Favored Glycine 0 CA--C 1.532 1.139 0 O-C-N 121.098 -1.001 . . . . 0.0 112.286 173.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.72 -50.67 71.5 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.161 0.984 . . . . 0.0 110.971 174.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -65.26 -24.77 67.41 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.092 0.957 . . . . 0.0 113.331 177.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.36 -38.6 49.81 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.499 1.045 . . . . 0.0 111.821 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.4 mt -60.93 -44.05 97.79 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.505 0.722 . . . . 0.0 110.727 169.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -61.09 -49.56 76.82 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.351 0.66 . . . . 0.0 112.203 173.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -60.46 -36.88 79.29 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.654 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.8 ttp -55.38 -52.23 64.23 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.947 1.249 . . . . 0.0 111.349 169.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -55.97 27.87 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.02 0.373 . . . . 0.0 111.648 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.11 -29.68 69.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.625 0.648 . . . . 0.0 112.025 -173.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.2 t -72.31 -24.11 61.27 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -150.86 67.35 7.8 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 123.799 0.84 . . . . 0.0 110.247 -172.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -51.28 -27.8 24.44 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 123.808 3.005 . . . . 0.0 115.329 -171.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.43 -33.8 14.97 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.758 1.623 . . . . 0.0 114.39 172.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.5 p -70.9 -17.99 62.69 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 120.901 1.682 . . . . 0.0 114.295 175.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -57.73 -31.05 66.05 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 120.771 1.623 . . . . 0.0 112.958 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 t -73.21 -18.22 61.27 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.763 1.024 . . . . 0.0 113.763 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -32.76 74.36 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 120.695 -1.253 . . . . 0.0 112.208 177.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -147.97 78.01 9.86 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 125.656 1.582 . . . . 0.0 111.443 175.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -77.68 -0.9 11.08 Favored 'Trans proline' 0 CA--C 1.548 1.195 0 C-N-CA 123.653 2.902 . . . . 0.0 114.383 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.03 0.17 0.43 Allowed 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 -176.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.93 147.61 42.51 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.248 1.419 . . . . 0.0 112.824 -176.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -76.93 152.06 35.47 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.485 0.714 . . . . 0.0 110.401 167.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -154.45 13.87 0.43 Allowed 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 -174.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -86.63 56.41 3.99 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.119 1.368 . . . . 0.0 112.921 -173.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 68.97 118.18 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 127.566 2.346 . . . . 0.0 113.623 -177.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.33 14.08 74.99 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 121.242 -0.911 . . . . 0.0 115.064 174.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 t -58.49 133.61 55.95 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.338 1.055 . . . . 0.0 112.921 178.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.66 -27.67 68.85 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 173.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -80.64 -40.25 25.94 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.615 -0.678 . . . . 0.0 111.688 175.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.3 t -66.22 -34.01 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 121.463 -0.773 . . . . 0.0 111.794 175.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -59.87 -38.19 81.46 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 120.004 1.275 . . . . 0.0 112.718 174.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.77 -53.19 6.57 Favored Glycine 0 N--CA 1.47 0.922 0 C-N-CA 124.351 0.976 . . . . 0.0 111.854 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.36 -33.8 68.15 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.761 -0.847 . . . . 0.0 112.117 175.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -61.73 -50.66 63.81 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 125.034 1.302 . . . . 0.0 113.801 170.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -56.77 -36.13 69.46 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 118.958 1.379 . . . . 0.0 113.232 170.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -66.28 -51.76 54.26 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.005 0.82 . . . . 0.0 112.889 173.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 77.8 t -56.78 -43.35 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 CA-C-N 119.42 1.009 . . . . 0.0 111.093 173.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.57 80.78 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.133 0.973 . . . . 0.0 113.237 174.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.98 -38.82 87.34 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.96 0.8 . . . . 0.0 112.228 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.49 94.21 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 170.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.18 -44.89 88.23 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 118.818 -0.61 . . . . 0.0 111.581 172.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.9 m -57.28 -49.27 76.59 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.702 1.137 . . . . 0.0 111.9 172.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -21.93 65.52 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 120.089 1.313 . . . . 0.0 113.03 177.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.23 -51.9 18.87 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 119.472 1.033 . . . . 0.0 110.418 167.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.1 t -54.55 -46.94 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.821 1.191 . . . . 0.0 111.543 177.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.38 -21.43 50.2 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.024 1.329 . . . . 0.0 113.961 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -143.24 35.67 1.35 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.564 1.146 . . . . 0.0 111.214 -176.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.05 -23.77 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 119.602 -1.936 . . . . 0.0 116.001 -162.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -119.1 27.48 8.82 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.61 1.164 . . . . 0.0 112.402 170.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -153.68 29.02 0.48 Allowed 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 129.339 3.055 . . . . 0.0 111.661 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.9 ptt? -101.22 18.07 0.05 OUTLIER Pre-proline 0 N--CA 1.482 1.132 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 -176.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -64.86 -41.59 17.48 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 CA-C-N 123.459 2.271 . . . . 0.0 113.743 -161.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -84.82 -19.37 32.6 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.127 0.971 . . . . 0.0 112.909 171.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.43 -10.0 52.31 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -173.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.0 mt -107.39 5.26 27.19 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 120.958 -1.088 . . . . 0.0 112.984 168.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.6 m -59.37 -35.05 73.18 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.572 -1.33 . . . . 0.0 113.344 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.23 -16.22 42.84 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 172.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mt -97.29 -38.6 9.6 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.336 1.454 . . . . 0.0 110.68 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.5 t -52.21 -42.57 63.66 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.571 1.148 . . . . 0.0 111.418 161.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.64 -53.83 41.62 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.673 1.189 . . . . 0.0 111.949 170.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -54.52 -53.31 56.14 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.319 0.963 . . . . 0.0 110.983 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -52.89 -43.52 66.23 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.84 1.256 . . . . 0.0 113.607 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.8 -31.91 14.18 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -174.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -84.57 -45.47 12.53 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.169 0.988 . . . . 0.0 112.837 -175.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -147.66 52.34 1.05 Allowed 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -178.407 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.37 -62.08 0.84 Allowed 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.391 -0.818 . . . . 0.0 111.158 169.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 57.32 18.27 4.23 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 124.661 1.184 . . . . 0.0 113.623 -175.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.3 t -83.14 143.04 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 126.582 1.953 . . . . 0.0 111.655 -173.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -58.78 143.3 82.89 Favored Pre-proline 0 CA--C 1.55 0.978 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 172.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -50.73 -16.99 2.7 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 124.311 3.341 . . . . 0.0 116.574 173.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.8 p -47.92 -41.01 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 119.735 1.152 . . . . 0.0 112.995 171.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -65.36 -34.08 77.48 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.429 -0.796 . . . . 0.0 112.565 175.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -59.34 -51.81 68.32 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 119.625 1.102 . . . . 0.0 109.104 170.056 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -55.83 -51.71 66.54 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.333 0.587 . . . . 0.0 109.899 -175.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.3 mt -58.85 -50.1 75.25 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 124.006 0.922 . . . . 0.0 112.2 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.53 -41.46 93.07 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.83 1.195 . . . . 0.0 112.61 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.9 m -66.0 -46.05 79.36 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.167 1.349 . . . . 0.0 112.886 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -61.21 -43.81 98.28 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.505 1.048 . . . . 0.0 111.233 173.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 91.1 m -67.25 -34.12 76.78 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.196 -0.94 . . . . 0.0 113.489 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.4 mt -64.55 -47.12 79.93 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.042 1.292 . . . . 0.0 111.174 170.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.7 mt -53.91 -42.59 68.91 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 121.69 -0.631 . . . . 0.0 111.381 171.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 37.1 t -69.35 -38.12 76.81 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 117.749 -1.119 . . . . 0.0 113.593 177.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.6 p -73.05 -39.37 65.99 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 121.839 2.108 . . . . 0.0 112.477 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.73 -59.32 5.19 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 167.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -47.65 -47.21 29.39 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.8 -20.02 59.95 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 -174.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -131.17 -16.36 3.17 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -172.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.1 75.63 53.44 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 129.891 3.277 . . . . 0.0 106.995 170.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -44.62 146.03 2.4 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.879 3.053 . . . . 0.0 114.413 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.41 16.91 0.05 Allowed 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 176.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 52.01 19.02 0.92 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.931 2.092 . . . . 0.0 114.208 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.6 p90 44.2 8.41 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 128.997 2.919 . . . . 0.0 117.207 -166.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.0 144.03 81.7 Favored Pre-proline 0 N--CA 1.478 0.93 0 O-C-N 120.513 -1.367 . . . . 0.0 111.547 -176.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -64.34 -33.34 59.19 Favored 'Trans proline' 0 CA--C 1.536 0.59 0 C-N-CA 122.519 2.146 . . . . 0.0 112.422 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.0 -39.45 72.4 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.519 -0.738 . . . . 0.0 112.423 176.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.5 t -71.63 -38.65 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-N 119.879 1.218 . . . . 0.0 111.293 174.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -61.84 -34.39 75.88 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.248 -0.908 . . . . 0.0 113.235 172.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.27 -57.14 9.19 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.495 0.589 . . . . 0.0 110.151 165.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.4 p -58.62 -55.45 34.9 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 117.687 -1.149 . . . . 0.0 113.445 -165.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.34 -43.69 97.01 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 120.11 1.323 . . . . 0.0 112.203 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.18 -51.34 31.89 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.163 0.585 . . . . 0.0 111.387 -175.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -35.84 74.63 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.063 0.545 . . . . 0.0 111.321 169.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -67.61 -44.82 77.15 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 119.701 1.137 . . . . 0.0 111.129 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.86 -28.97 68.77 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 120.465 1.484 . . . . 0.0 111.595 173.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.26 97.13 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 118.131 -0.938 . . . . 0.0 113.243 166.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 94.1 p -76.55 -35.49 58.21 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 121.535 1.971 . . . . 0.0 113.795 176.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 95.8 t -54.66 -53.59 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 119.495 1.043 . . . . 0.0 108.963 165.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.0 t -52.39 -60.34 3.34 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.907 173.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 28.4 m -51.4 -47.71 62.85 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 117.893 -1.051 . . . . 0.0 112.554 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 81.5 t -70.93 -38.48 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-N 120.417 1.462 . . . . 0.0 111.972 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.84 -41.74 78.45 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 120.27 1.395 . . . . 0.0 110.312 168.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 69.9 p -92.06 31.16 1.3 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.058 1.743 . . . . 0.0 113.596 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 CA--C 1.545 0.784 0 O-C-N 120.443 -1.41 . . . . 0.0 111.285 175.819 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.315 7.4 p . . . . . 0 N--CA 1.511 2.604 0 CA-C-O 117.58 -1.2 . . . . 0.0 112.979 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 5.2 t60 35.18 74.03 0.07 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.075 2.15 . . . . 0.0 115.58 178.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 68.3 mt -54.43 122.54 10.69 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.318 -0.864 . . . . 0.0 111.37 176.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 63.6 m -52.55 132.47 45.24 Favored Pre-proline 0 N--CA 1.478 0.968 0 CA-C-O 117.291 -1.338 . . . . 0.0 109.523 168.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -48.72 -41.62 37.88 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.445 2.764 . . . . 0.0 116.602 -171.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.41 -36.81 79.63 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.297 -0.877 . . . . 0.0 112.382 176.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.11 -39.54 75.42 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.434 -0.791 . . . . 0.0 111.926 172.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.13 -47.21 78.59 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 117.526 -1.225 . . . . 0.0 110.386 167.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.0 t -56.8 -47.04 81.13 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.897 1.226 . . . . 0.0 111.611 175.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.87 -57.28 11.52 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.499 1.12 . . . . 0.0 113.826 177.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.96 -49.83 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 119.107 0.867 . . . . 0.0 111.555 176.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.411 ' HG1' HD22 ' B' ' 75' ' ' LEU . 17.2 m -66.42 -35.53 80.54 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.807 1.185 . . . . 0.0 112.154 -167.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.84 -38.01 87.75 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.463 1.029 . . . . 0.0 112.459 172.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 tt -70.46 -35.05 73.1 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.364 -0.835 . . . . 0.0 111.377 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -36.57 75.36 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.44 1.096 . . . . 0.0 112.9 166.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.46 -41.45 98.63 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.799 1.19 . . . . 0.0 113.957 175.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -87.3 -16.91 33.74 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.13 131.21 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.939 1.296 . . . . 0.0 111.814 -178.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -88.33 77.71 8.13 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.596 1.158 . . . . 0.0 109.861 -177.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 62.0 t -49.84 -38.89 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 124.731 1.212 . . . . 0.0 113.731 -169.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -13.57 62.37 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.894 1.278 . . . . 0.0 114.045 -178.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -124.87 -50.03 1.72 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.916 1.286 . . . . 0.0 111.198 -176.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.85 -29.56 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.107 -0.996 . . . . 0.0 112.846 173.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.65 -40.01 11.42 Favored Glycine 0 N--CA 1.47 0.958 0 O-C-N 121.344 -0.848 . . . . 0.0 112.715 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.96 -43.06 99.87 Favored Glycine 0 N--CA 1.476 1.321 0 CA-C-N 118.131 0.966 . . . . 0.0 112.02 169.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -56.57 -56.54 20.0 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 124.42 1.088 . . . . 0.0 111.13 166.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.51 94.55 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 121.351 1.887 . . . . 0.0 114.344 -175.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 tp -69.51 -49.74 51.78 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.096 0.862 . . . . 0.0 111.745 176.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.63 -39.62 96.79 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-N 118.263 0.483 . . . . 0.0 112.232 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -54.52 -45.73 73.41 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 117.133 -1.413 . . . . 0.0 112.01 172.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.26 -49.06 17.8 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.918 1.236 . . . . 0.0 112.12 -177.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.53 -44.39 96.47 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.983 0.913 . . . . 0.0 112.706 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -78.14 -27.87 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 O-C-N 121.408 -0.808 . . . . 0.0 112.576 -177.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 19.2 t -67.77 -46.44 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 126.663 1.985 . . . . 0.0 111.049 175.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -133.74 83.75 46.64 Favored Pre-proline 0 CA--C 1.541 0.611 0 C-N-CA 124.61 1.164 . . . . 0.0 110.483 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -50.18 -18.65 3.51 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 124.613 3.542 . . . . 0.0 117.091 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 -60.26 -33.73 72.72 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.129 1.331 . . . . 0.0 112.945 170.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 73.9 p -62.96 -20.84 65.63 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 15.6 tm0? -53.42 -30.75 41.95 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.976 0.91 . . . . 0.0 113.136 167.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -60.02 -15.71 24.91 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 120.84 1.654 . . . . 0.0 114.339 175.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -108.82 1.61 21.05 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.989 1.716 . . . . 0.0 113.344 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -53.33 59.47 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.156 1.344 . . . . 0.0 112.513 -173.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 26.13 5.15 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.392 1 C-N-CA 134.585 5.154 . . . . 0.0 120.677 -176.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -162.48 -28.43 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.928 2.091 . . . . 0.0 113.007 -169.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -52.36 -32.55 38.88 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 176.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.56 159.51 17.32 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.859 1.218 . . . . 0.0 114.891 175.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 49.5 t0 42.5 -98.53 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 127.028 2.131 . . . . 0.0 114.078 -173.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 47.59 9.93 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 118.972 2.953 . . . . 0.0 118.972 176.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -57.71 -22.18 44.85 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -172.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' THR . . . . . 0.68 ' HG1' ' H ' ' B' ' 53' ' ' ALA . 69.3 p -134.54 162.45 57.66 Favored Pre-proline 0 N--CA 1.471 0.586 0 C-N-CA 126.205 1.802 . . . . 0.0 110.573 171.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -50.06 -40.72 50.25 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.104 2.536 . . . . 0.0 114.263 167.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -62.75 -44.51 96.01 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.482 0.713 . . . . 0.0 111.795 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.68 ' H ' ' HG1' ' B' ' 50' ' ' THR . . . -62.86 -45.02 94.52 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.616 0.766 . . . . 0.0 112.796 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -66.21 -37.65 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 O-C-N 120.988 -1.07 . . . . 0.0 112.781 -177.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 3.0 ttm -79.64 -12.93 59.81 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.69 -21.86 10.04 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.074 1.321 . . . . 0.0 115.11 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -55.16 117.15 13.4 Favored Pre-proline 0 CA--C 1.554 1.13 0 CA-C-N 119.221 1.51 . . . . 0.0 111.893 177.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -51.35 -40.28 62.08 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 124.072 3.181 . . . . 0.0 115.159 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -26.16 61.53 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.038 -1.038 . . . . 0.0 112.514 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 97.7 t -69.13 -33.4 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 119.488 1.04 . . . . 0.0 111.456 169.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -64.71 -44.81 89.04 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.457 1.481 . . . . 0.0 111.746 168.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.08 -49.42 77.72 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 118.776 0.717 . . . . 0.0 112.804 174.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -67.12 -28.29 68.03 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.691 -1.255 . . . . 0.0 112.195 174.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.73 -49.07 82.52 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 125.815 1.674 . . . . 0.0 113.094 168.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -58.55 -40.19 82.32 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.992 -0.711 . . . . 0.0 111.564 168.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -63.77 -51.82 63.11 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.326 1.05 . . . . 0.0 112.639 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 13.1 p -62.51 -46.62 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 119.273 0.942 . . . . 0.0 112.317 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 tt -69.39 -37.38 77.49 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.508 -0.745 . . . . 0.0 110.866 177.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.8 -43.92 48.24 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 125.262 1.41 . . . . 0.0 112.718 170.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.67 80.41 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 118.733 1.266 . . . . 0.0 112.428 172.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -59.01 -37.02 75.93 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.285 -1.51 . . . . 0.0 113.279 172.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.3 t -67.86 -43.92 78.31 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.978 1.311 . . . . 0.0 112.884 175.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -56.59 -37.42 70.61 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.998 0.919 . . . . 0.0 111.225 168.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.16 -57.61 18.29 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 123.429 0.538 . . . . 0.0 112.294 170.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.411 HD22 ' HG1' ' B' ' 12' ' ' THR . 10.7 mt -57.94 -24.26 57.16 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 176.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.47 -19.73 27.58 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.573 1.549 . . . . 0.0 114.824 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -141.19 41.04 1.78 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.688 1.595 . . . . 0.0 112.764 -172.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 95.8 mt -55.8 -19.19 10.49 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 120.634 -1.291 . . . . 0.0 114.222 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -52.69 -42.06 64.45 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.816 1.646 . . . . 0.0 113.186 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -153.73 113.49 3.85 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.691 1.596 . . . . 0.0 110.212 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 88.5 mt -94.32 2.43 55.84 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.253 1.021 . . . . 0.0 113.453 176.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -87.21 -53.24 4.95 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.525 -1.359 . . . . 0.0 112.443 -174.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.18 -36.77 71.71 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.605 0.622 . . . . 0.0 113.467 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.8 p -69.31 -12.64 61.83 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.231 1.813 . . . . 0.0 114.486 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -130.03 9.65 5.33 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.191 1.396 . . . . 0.0 112.912 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.37 -34.51 70.77 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 -170.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 21.9 p -65.81 -39.31 90.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.996 0.918 . . . . 0.0 112.018 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 53.0 mt -73.65 -40.77 63.49 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.755 1.222 . . . . 0.0 111.638 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 98.6 p -64.43 -41.52 96.54 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.781 1.173 . . . . 0.0 111.445 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.2 -48.57 79.94 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.382 0.673 . . . . 0.0 112.67 170.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.6 tp -51.27 -55.16 19.69 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.645 0.778 . . . . 0.0 111.828 173.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -74.72 -31.04 61.73 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.096 -1.003 . . . . 0.0 113.329 -173.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 85.2 m -78.66 -39.03 38.05 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.6 1.091 . . . . 0.0 113.799 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -107.65 -24.49 11.72 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -169.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -24.86 19.76 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 174.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 32.0 mt -128.23 -44.81 1.4 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.515 1.126 . . . . 0.0 113.585 -172.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 15.2 t60 55.97 22.32 5.69 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 127.659 2.383 . . . . 0.0 116.39 -176.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 23.9 m -61.13 154.23 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 120.733 -1.229 . . . . 0.0 112.595 173.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.03 157.58 86.8 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 127.9 2.48 . . . . 0.0 113.08 -176.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.02 -41.24 40.62 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 124.646 3.564 . . . . 0.0 115.204 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -61.07 -30.11 70.14 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.923 -1.11 . . . . 0.0 113.13 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -62.7 -41.02 98.91 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.13 0.877 . . . . 0.0 111.388 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -65.49 -46.78 78.38 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.557 0.743 . . . . 0.0 110.325 174.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -55.45 -43.8 75.75 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.076 0.55 . . . . 0.0 110.961 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 34.9 mt -58.37 -45.08 88.92 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.015 1.326 . . . . 0.0 113.431 175.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 tt -58.88 -46.58 87.51 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.593 1.088 . . . . 0.0 110.534 173.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.12 -38.44 95.58 Favored Glycine 0 CA--C 1.534 1.277 0 O-C-N 121.107 -0.996 . . . . 0.0 113.929 174.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -63.44 -39.93 95.79 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.652 1.226 . . . . 0.0 111.803 174.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.54 -54.21 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.447 -0.783 . . . . 0.0 110.708 167.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 45.9 tp -50.98 -53.57 32.05 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.375 1.07 . . . . 0.0 111.944 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 24.7 m -60.03 -35.73 62.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 118.928 0.785 . . . . 0.0 112.564 177.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 24.3 t -64.3 -38.27 90.45 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.784 0.72 . . . . 0.0 111.719 178.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 1.9 m -67.93 -43.69 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.05 -1.031 . . . . 0.0 111.46 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -38.43 84.44 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.585 -0.697 . . . . 0.0 111.595 172.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.66 -21.44 62.8 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.146 0.884 . . . . 0.0 112.895 172.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -63.11 1.46 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.493 0.717 . . . . 0.0 111.559 166.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -66.4 -27.43 67.84 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 119.568 1.077 . . . . 0.0 113.753 -170.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -114.58 28.13 8.95 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.185 1.794 . . . . 0.0 111.072 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.87 -36.92 51.65 Favored Glycine 0 N--CA 1.472 1.085 0 C-N-CA 124.763 1.173 . . . . 0.0 115.396 -175.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -65.39 -7.18 12.6 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.531 1.533 . . . . 0.0 114.66 173.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -126.27 22.73 7.12 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.173 1.789 . . . . 0.0 111.949 -168.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -59.65 80.62 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 127.299 2.24 . . . . 0.0 113.922 175.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.92 148.59 87.67 Favored Pre-proline 0 N--CA 1.482 1.133 0 O-C-N 120.231 -1.543 . . . . 0.0 111.588 176.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . 0.439 ' CB ' ' HD3' ' B' ' 125' ' ' PRO 0.364 12.5 Cg_exo -33.37 -93.54 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 2.011 1 C-N-CA 126.865 5.043 . . . . 0.0 118.199 -173.191 . . . . . . . . 4 3 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . 0.439 ' HD3' ' CB ' ' B' ' 124' ' ' PRO . 70.6 Cg_exo -70.13 17.82 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 CA-C-N 124.576 2.67 . . . . 0.0 118.585 169.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 2.4 p -53.91 -42.96 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-N 123.261 2.755 . . . . 0.0 113.871 -167.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -64.16 -41.36 97.17 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.245 -0.909 . . . . 0.0 111.802 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.74 -46.14 91.58 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.437 1.095 . . . . 0.0 111.789 174.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.67 95.95 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.288 1.035 . . . . 0.0 111.088 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -59.77 -52.29 66.12 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 118.591 -0.718 . . . . 0.0 112.415 168.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -38.04 64.83 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.839 1.2 . . . . 0.0 112.505 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -61.69 -51.86 66.67 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.796 1.239 . . . . 0.0 113.378 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.4 -36.29 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 CA-C-N 120.041 1.291 . . . . 0.0 113.018 175.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 26.1 t -59.13 -45.6 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.949 1.299 . . . . 0.0 111.394 173.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.11 94.5 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.124 0.875 . . . . 0.0 111.774 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.65 -50.52 64.64 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 121.851 -0.531 . . . . 0.0 112.827 170.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 33.1 t -61.04 -44.59 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 117.98 0.89 . . . . 0.0 112.277 175.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -57.7 -49.73 75.54 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.32 0.964 . . . . 0.0 111.969 175.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.4 -36.88 85.18 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.167 0.587 . . . . 0.0 112.184 176.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.65 95.96 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.416 -0.802 . . . . 0.0 112.63 172.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 8.6 mt -68.25 -31.95 71.8 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 120.599 -1.313 . . . . 0.0 112.202 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.46 -6.65 41.95 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 169.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -56.31 -41.49 76.05 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.149 -1.595 . . . . 0.0 113.188 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -70.31 5.7 1.63 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.316 1.446 . . . . 0.0 114.838 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 . . . . . 0 CA--C 1.551 1.007 0 CA-C-N 120.387 1.449 . . . . 0.0 113.628 167.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.51 2.551 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 45.2 mt -137.53 -176.93 4.57 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 119.967 -1.708 . . . . 0.0 111.212 -169.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.91 167.93 16.11 Favored Pre-proline 0 N--CA 1.487 1.384 0 C-N-CA 124.689 1.196 . . . . 0.0 112.837 -176.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.61 -50.12 0.09 OUTLIER 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.317 2.011 . . . . 0.0 114.429 -169.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.34 -34.88 73.19 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -169.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -63.64 -37.38 87.11 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.085 -1.01 . . . . 0.0 112.379 177.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -59.55 -42.38 92.27 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.688 1.131 . . . . 0.0 111.827 173.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 38.7 m -59.48 -41.01 88.82 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.189 0.596 . . . . 0.0 110.939 174.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -67.48 -37.04 82.28 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.724 -0.61 . . . . 0.0 112.253 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 69.9 t -61.16 -48.06 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.481 1.037 . . . . 0.0 111.227 170.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -60.99 -44.33 97.56 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.763 0.711 . . . . 0.0 111.898 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.39 -53.0 63.23 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.426 0.69 . . . . 0.0 111.429 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.72 -53.88 51.16 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.056 0.942 . . . . 0.0 112.589 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -63.3 -29.99 71.21 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.21 -0.931 . . . . 0.0 112.956 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.92 -36.51 90.39 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.408 1.004 . . . . 0.0 113.215 169.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -73.96 -36.73 64.63 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 118.411 1.105 . . . . 0.0 111.528 172.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 90.6 t -59.39 -54.4 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.826 0.85 . . . . 0.0 111.205 176.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.05 -128.1 4.34 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.326 0.965 . . . . 0.0 113.883 -177.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.01 -22.48 49.84 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -72.37 -6.79 45.88 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.01 -44.03 63.96 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 120.854 -1.154 . . . . 0.0 112.792 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.15 -45.93 95.03 Favored Glycine 0 C--N 1.341 0.854 0 CA-C-O 119.297 -0.724 . . . . 0.0 113.881 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -67.88 -36.96 81.16 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.57 1.185 . . . . 0.0 112.053 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -66.8 -37.8 85.24 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 121.135 -0.978 . . . . 0.0 112.507 173.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.46 -43.97 91.27 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 121.186 -0.946 . . . . 0.0 112.368 173.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.86 -50.55 72.11 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.105 0.962 . . . . 0.0 111.072 174.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -65.25 -24.74 67.41 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 124.116 0.966 . . . . 0.0 113.443 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.45 -38.41 49.46 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.555 1.07 . . . . 0.0 111.884 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.09 -44.03 97.98 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.523 0.729 . . . . 0.0 110.658 169.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -61.06 -49.48 77.18 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.307 0.643 . . . . 0.0 112.278 173.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -60.52 -36.93 79.57 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 117.902 -1.047 . . . . 0.0 112.583 175.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 26.8 ttp -55.44 -52.14 64.58 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.977 1.262 . . . . 0.0 111.396 169.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -55.87 29.1 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 117.956 0.344 . . . . 0.0 111.644 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.06 -29.67 69.52 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.583 0.628 . . . . 0.0 112.158 -173.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 8.2 t -72.24 -24.22 61.34 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 177.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -150.81 67.51 7.88 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 123.762 0.825 . . . . 0.0 110.198 -172.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -51.53 -27.65 25.84 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.835 3.023 . . . . 0.0 115.242 -171.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.18 -33.85 13.24 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.889 1.676 . . . . 0.0 114.417 172.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 35.9 p -71.14 -18.07 62.52 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 120.856 1.662 . . . . 0.0 114.039 175.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -57.61 -31.21 66.0 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 120.93 1.696 . . . . 0.0 112.952 -178.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 1.7 t -73.22 -18.03 61.28 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -32.64 74.13 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.772 -1.205 . . . . 0.0 112.195 177.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -148.07 78.16 9.72 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.665 1.586 . . . . 0.0 111.446 174.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -77.65 -0.86 11.04 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 C-N-CA 123.739 2.959 . . . . 0.0 114.372 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.17 0.28 0.44 Allowed 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 -176.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.99 147.7 42.51 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.3 1.44 . . . . 0.0 112.826 -176.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -77.17 152.15 34.96 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.461 0.704 . . . . 0.0 110.407 167.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -154.57 14.04 0.42 Allowed 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 115.254 1.576 . . . . 0.0 115.254 -174.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -86.8 56.41 3.99 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.156 1.383 . . . . 0.0 112.875 -173.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 69.13 118.15 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.567 2.347 . . . . 0.0 113.761 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.24 14.34 74.61 Favored Glycine 0 CA--C 1.536 1.389 0 O-C-N 121.135 -0.978 . . . . 0.0 115.088 174.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -58.51 133.89 56.22 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.444 1.097 . . . . 0.0 112.86 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.14 -26.68 68.45 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.038 0.935 . . . . 0.0 113.378 173.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -81.69 -40.33 22.97 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.737 -0.602 . . . . 0.0 111.741 175.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -66.14 -33.84 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 121.286 -0.884 . . . . 0.0 111.882 175.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -60.27 -37.77 81.48 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 120.041 1.292 . . . . 0.0 112.69 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.88 -53.15 6.49 Favored Glycine 0 N--CA 1.471 1.03 0 C-N-CA 124.395 0.997 . . . . 0.0 111.85 177.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.41 -33.95 68.4 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.801 -0.823 . . . . 0.0 111.973 175.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -61.6 -50.66 63.99 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 124.973 1.273 . . . . 0.0 113.806 170.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -56.79 -36.21 69.62 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 118.988 1.394 . . . . 0.0 113.166 170.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -66.12 -51.74 55.08 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.087 0.858 . . . . 0.0 112.943 173.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 76.5 t -57.01 -43.17 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 119.475 1.034 . . . . 0.0 111.091 174.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.82 -48.46 81.24 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.015 0.926 . . . . 0.0 113.261 174.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.07 -38.78 87.46 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.924 0.784 . . . . 0.0 112.217 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.26 -45.56 94.02 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 170.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.27 -44.6 88.5 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.628 172.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 96.2 m -57.55 -49.18 77.19 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.736 1.153 . . . . 0.0 111.822 172.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -22.23 65.65 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 120.143 1.338 . . . . 0.0 113.018 177.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.19 -51.63 20.26 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 119.495 1.043 . . . . 0.0 110.394 167.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 69.9 t -54.59 -47.16 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 119.963 1.256 . . . . 0.0 111.465 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.29 -21.49 49.14 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.092 1.357 . . . . 0.0 113.899 -178.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -143.2 35.58 1.35 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.58 1.152 . . . . 0.0 111.313 -176.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.16 -23.69 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 119.555 -1.966 . . . . 0.0 115.927 -162.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -119.1 27.36 8.89 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.642 1.177 . . . . 0.0 112.469 170.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -153.71 29.15 0.47 Allowed 'General case' 0 CA--C 1.559 1.307 0 C-N-CA 129.186 2.994 . . . . 0.0 111.531 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 15.1 ptt? -101.2 18.08 0.05 OUTLIER Pre-proline 0 N--CA 1.481 1.085 0 N-CA-C 116.261 1.949 . . . . 0.0 116.261 -176.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -64.9 -41.75 16.75 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 CA-C-N 123.475 2.277 . . . . 0.0 113.651 -161.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -84.6 -19.54 32.87 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.053 0.941 . . . . 0.0 113.005 171.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.19 -10.15 52.21 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -173.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 52.2 mt -107.31 5.44 27.52 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.695 1.134 . . . . 0.0 113.102 168.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 58.7 m -59.52 -35.09 73.49 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.649 -1.282 . . . . 0.0 113.357 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.16 -16.31 43.26 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 172.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mt -97.04 -38.75 9.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.483 1.513 . . . . 0.0 110.725 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 14.9 t -52.08 -42.71 63.42 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.693 1.197 . . . . 0.0 111.418 161.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.67 -53.82 42.05 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.711 1.204 . . . . 0.0 111.927 170.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -54.58 -53.07 59.43 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.367 0.985 . . . . 0.0 111.017 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -53.05 -43.63 66.78 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.793 1.237 . . . . 0.0 113.58 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.79 -31.83 14.22 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -173.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -84.48 -45.59 12.5 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.092 0.957 . . . . 0.0 112.819 -176.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER -147.52 51.81 1.06 Allowed 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -178.256 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.93 -62.23 0.86 Allowed 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.496 -0.753 . . . . 0.0 111.193 169.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 57.24 18.47 4.27 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.64 1.176 . . . . 0.0 113.549 -175.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 58.2 t -83.2 143.06 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 126.516 1.926 . . . . 0.0 111.637 -173.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -58.79 143.32 82.91 Favored Pre-proline 0 CA--C 1.551 1.003 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 172.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -50.77 -17.01 2.74 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 124.291 3.327 . . . . 0.0 116.536 173.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.04 -40.72 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 119.783 1.174 . . . . 0.0 112.994 171.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -65.51 -34.08 77.42 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.444 -0.788 . . . . 0.0 112.507 175.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . 0.438 ' C ' ' CD1' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -59.57 -51.48 69.66 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.598 1.09 . . . . 0.0 109.029 170.212 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -56.16 -51.67 67.14 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.274 0.559 . . . . 0.0 109.866 -175.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 63.8 mt -58.72 -50.17 74.88 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.932 0.893 . . . . 0.0 112.24 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.46 -41.53 93.27 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.829 1.195 . . . . 0.0 112.588 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 37.6 m -66.01 -46.13 79.04 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 120.215 1.371 . . . . 0.0 112.791 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -61.19 -43.8 98.31 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.602 1.092 . . . . 0.0 111.265 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 90.6 m -67.41 -33.8 75.91 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 27.5 mt -64.58 -47.26 79.37 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.145 1.338 . . . . 0.0 111.222 170.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 7.7 mt -53.9 -42.67 68.94 Favored 'General case' 0 C--O 1.224 -0.246 0 O-C-N 121.623 -0.673 . . . . 0.0 111.371 171.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 37.2 t -69.21 -38.1 77.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 117.784 -1.103 . . . . 0.0 113.68 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 32.2 p -72.83 -39.83 66.28 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 121.761 2.073 . . . . 0.0 112.536 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 19.8 mt -56.43 -59.39 5.04 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 167.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -47.67 -47.26 29.59 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.62 -20.15 60.02 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 -174.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -131.17 -16.16 3.2 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -172.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.23 75.62 52.58 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 129.953 3.301 . . . . 0.0 106.994 170.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -44.71 146.09 2.45 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.86 3.04 . . . . 0.0 114.412 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.6 17.14 0.05 Allowed 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 176.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 51.96 18.88 0.88 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.813 2.045 . . . . 0.0 114.4 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 43.0 p90 44.36 8.42 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 128.953 2.901 . . . . 0.0 117.151 -166.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.08 144.08 81.52 Favored Pre-proline 0 N--CA 1.478 0.946 0 O-C-N 120.573 -1.329 . . . . 0.0 111.522 -176.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -64.44 -33.37 57.92 Favored 'Trans proline' 0 CA--C 1.537 0.675 0 C-N-CA 122.396 2.064 . . . . 0.0 112.339 175.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.56 72.86 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.647 0.658 . . . . 0.0 112.383 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 58.9 t -71.77 -38.53 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 119.863 1.21 . . . . 0.0 111.132 174.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -61.95 -34.43 76.1 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.324 -0.86 . . . . 0.0 113.153 172.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.22 -56.92 10.07 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.656 0.662 . . . . 0.0 110.144 165.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 26.7 p -59.04 -55.16 38.72 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 117.741 -1.123 . . . . 0.0 113.519 -164.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.32 -43.59 97.36 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 120.019 1.281 . . . . 0.0 112.268 -175.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.2 -51.36 31.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.28 0.632 . . . . 0.0 111.346 -175.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.18 -36.13 74.78 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.101 0.56 . . . . 0.0 111.313 169.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -67.43 -44.76 77.95 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 119.735 1.152 . . . . 0.0 111.322 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.94 -28.87 68.64 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.527 1.512 . . . . 0.0 111.577 173.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.42 97.38 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-O 118.118 -0.944 . . . . 0.0 113.219 166.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 95.3 p -76.66 -35.38 58.0 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 121.516 1.962 . . . . 0.0 113.736 176.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.63 -53.65 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.625 1.102 . . . . 0.0 108.998 165.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 26.6 t -52.35 -60.26 3.44 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.907 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 26.6 m -51.66 -47.56 63.73 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 117.916 -1.04 . . . . 0.0 112.564 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 80.8 t -71.02 -38.42 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 120.497 1.499 . . . . 0.0 111.98 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.81 -41.94 78.69 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 120.247 1.385 . . . . 0.0 110.316 168.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 70.2 p -91.91 31.32 1.25 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.971 1.708 . . . . 0.0 113.411 175.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 CA--C 1.545 0.755 0 O-C-N 120.499 -1.376 . . . . 0.0 111.366 175.656 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.315 7.4 p . . . . . 0 N--CA 1.513 2.718 0 CA-C-O 117.614 -1.184 . . . . 0.0 112.987 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 5.2 t60 34.99 74.07 0.07 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.057 2.143 . . . . 0.0 115.595 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 67.6 mt -54.58 122.66 11.05 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.371 -0.831 . . . . 0.0 111.269 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 61.6 m -52.55 132.43 45.22 Favored Pre-proline 0 N--CA 1.478 0.946 0 CA-C-O 117.253 -1.356 . . . . 0.0 109.558 168.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -48.76 -41.77 37.92 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.482 2.788 . . . . 0.0 116.512 -170.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -68.24 -36.93 80.23 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.484 -0.76 . . . . 0.0 112.367 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.01 -39.38 75.88 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.348 -0.845 . . . . 0.0 112.063 172.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -47.26 79.18 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 117.557 -1.211 . . . . 0.0 110.367 167.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 20.6 t -56.84 -47.02 81.29 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 120.05 1.295 . . . . 0.0 111.639 175.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.9 -57.31 11.45 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.491 1.116 . . . . 0.0 113.891 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.77 -49.89 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 119.177 0.899 . . . . 0.0 111.63 176.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 17.6 m -66.29 -35.53 80.63 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.78 1.173 . . . . 0.0 112.229 -167.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.9 -38.07 87.77 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.395 0.998 . . . . 0.0 112.464 172.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 tt -70.38 -34.95 73.17 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.253 -0.904 . . . . 0.0 111.334 173.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -36.53 76.0 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.638 1.175 . . . . 0.0 112.725 166.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.45 -41.8 98.75 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.81 1.195 . . . . 0.0 113.963 175.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -86.85 -16.93 34.62 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 175.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.14 131.26 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.883 1.273 . . . . 0.0 111.865 -178.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -88.47 77.88 7.98 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.548 1.139 . . . . 0.0 109.813 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -50.0 -38.95 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 124.813 1.245 . . . . 0.0 113.676 -168.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -13.56 62.36 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.833 1.253 . . . . 0.0 114.136 -178.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -124.6 -50.13 1.75 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.725 1.21 . . . . 0.0 111.17 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.71 -29.63 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 119.285 0.948 . . . . 0.0 112.798 173.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.77 -39.89 11.42 Favored Glycine 0 N--CA 1.472 1.064 0 O-C-N 121.337 -0.852 . . . . 0.0 112.676 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.95 -43.05 99.87 Favored Glycine 0 N--CA 1.476 1.305 0 CA-C-N 118.16 0.98 . . . . 0.0 112.008 169.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -56.69 -56.58 19.63 Favored 'General case' 0 C--O 1.214 -0.793 0 C-N-CA 124.487 1.115 . . . . 0.0 111.014 167.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.58 94.3 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 121.43 1.923 . . . . 0.0 114.369 -176.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 33.6 tp -69.63 -49.52 53.08 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.136 0.88 . . . . 0.0 111.834 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.62 -39.68 96.86 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-N 118.298 0.499 . . . . 0.0 112.22 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -54.49 -45.72 73.29 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 117.163 -1.398 . . . . 0.0 112.037 172.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -49.24 17.01 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 120.086 1.312 . . . . 0.0 112.057 -177.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.4 -44.32 96.72 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.109 0.964 . . . . 0.0 112.736 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -78.34 -27.91 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 121.374 -0.829 . . . . 0.0 112.508 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 19.1 t -67.77 -46.35 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.71 2.004 . . . . 0.0 111.07 175.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -133.78 83.68 46.61 Favored Pre-proline 0 CA--C 1.539 0.549 0 C-N-CA 124.619 1.167 . . . . 0.0 110.472 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_exo -50.08 -18.79 3.48 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 124.714 3.609 . . . . 0.0 117.04 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 -60.24 -33.79 72.78 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 120.135 1.334 . . . . 0.0 112.979 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 73.0 p -62.72 -20.99 65.45 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -53.4 -30.67 41.24 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.909 0.884 . . . . 0.0 113.135 167.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -60.04 -15.73 25.29 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 120.979 1.718 . . . . 0.0 114.228 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -108.88 1.48 20.85 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.077 1.751 . . . . 0.0 113.299 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -53.32 59.61 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.205 1.366 . . . . 0.0 112.475 -173.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 26.05 5.1 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.471 1 C-N-CA 134.547 5.139 . . . . 0.0 120.627 -176.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -162.3 -28.56 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.049 2.14 . . . . 0.0 113.087 -169.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -52.28 -32.55 37.95 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 176.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.64 159.49 17.55 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.841 1.21 . . . . 0.0 114.858 175.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 49.4 t0 42.49 -98.42 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 127.084 2.154 . . . . 0.0 114.078 -173.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 47.43 10.02 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 119.019 2.97 . . . . 0.0 119.019 176.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -57.8 -22.15 45.8 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -172.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 50' ' ' THR . . . . . 0.648 ' HG1' ' H ' ' D' ' 53' ' ' ALA . 68.8 p -134.43 162.48 57.47 Favored Pre-proline 0 N--CA 1.473 0.713 0 C-N-CA 126.209 1.804 . . . . 0.0 110.643 171.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -50.01 -40.67 49.79 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.069 2.513 . . . . 0.0 114.399 167.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -62.8 -44.53 95.91 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.503 0.721 . . . . 0.0 111.725 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 53' ' ' ALA . . . . . 0.648 ' H ' ' HG1' ' D' ' 50' ' ' THR . . . -62.72 -45.12 94.22 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.661 0.784 . . . . 0.0 112.88 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -66.21 -37.79 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 O-C-N 121.1 -1.0 . . . . 0.0 112.669 -177.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 3.0 ttm -79.56 -12.75 59.84 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.94 -21.89 9.82 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.988 1.28 . . . . 0.0 115.079 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -55.14 117.04 12.98 Favored Pre-proline 0 CA--C 1.557 1.237 0 CA-C-N 119.185 1.492 . . . . 0.0 111.926 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -51.24 -40.32 61.04 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 123.946 3.097 . . . . 0.0 115.167 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -26.1 61.57 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.999 -1.063 . . . . 0.0 112.582 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.21 -33.24 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 CA-C-N 119.44 1.018 . . . . 0.0 111.513 169.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.71 -45.02 88.36 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 120.426 1.466 . . . . 0.0 111.739 168.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.85 -49.45 77.66 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -67.16 -28.3 68.0 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.469 -1.394 . . . . 0.0 112.215 174.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.81 -49.08 82.38 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.828 1.68 . . . . 0.0 113.043 168.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -58.51 -40.26 82.37 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 122.042 -0.681 . . . . 0.0 111.497 168.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -63.69 -51.8 63.47 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.299 1.04 . . . . 0.0 112.661 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 13.8 p -62.53 -46.54 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 119.354 0.979 . . . . 0.0 112.363 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.57 -37.44 76.99 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.482 -0.761 . . . . 0.0 110.751 177.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.59 -43.99 46.39 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 125.161 1.363 . . . . 0.0 112.904 169.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.33 -48.48 81.11 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.558 1.179 . . . . 0.0 112.516 172.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -59.09 -37.02 76.13 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.316 -1.49 . . . . 0.0 113.24 172.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 7.3 t -67.73 -44.14 78.3 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.167 1.387 . . . . 0.0 112.753 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -56.55 -37.32 70.35 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.902 0.881 . . . . 0.0 111.27 168.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.16 -57.65 18.11 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 123.453 0.549 . . . . 0.0 112.313 170.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.5 mt -57.78 -24.43 57.11 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 176.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.43 -19.76 27.59 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.567 1.547 . . . . 0.0 114.882 175.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -141.19 41.07 1.78 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.648 1.579 . . . . 0.0 112.767 -172.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 96.2 mt -55.65 -19.19 9.71 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.65 -1.282 . . . . 0.0 114.257 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -52.83 -42.14 64.88 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.733 1.613 . . . . 0.0 113.126 172.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -153.63 113.31 3.84 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.678 1.591 . . . . 0.0 110.223 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 88.6 mt -94.25 2.48 55.88 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.11 0.964 . . . . 0.0 113.445 176.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -87.17 -53.06 5.06 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 120.45 -1.406 . . . . 0.0 112.449 -174.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.24 -36.82 71.18 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 123.661 0.648 . . . . 0.0 113.555 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.9 p -69.37 -12.6 61.79 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.21 1.804 . . . . 0.0 114.431 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -130.06 9.53 5.31 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.241 1.416 . . . . 0.0 112.952 -177.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.22 -34.5 70.48 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -170.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 21.8 p -65.97 -39.28 90.24 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.96 0.904 . . . . 0.0 111.908 171.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 53.3 mt -73.74 -40.59 63.42 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.581 1.152 . . . . 0.0 111.645 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 96.5 p -64.34 -41.66 96.65 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 119.82 1.191 . . . . 0.0 111.462 176.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -58.12 -48.44 80.2 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.562 -0.711 . . . . 0.0 112.685 170.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 15.4 tp -51.6 -55.09 21.21 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.738 0.815 . . . . 0.0 111.712 173.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -74.75 -30.92 61.64 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.106 -0.996 . . . . 0.0 113.247 -173.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 85.2 m -78.77 -39.17 36.73 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.684 1.129 . . . . 0.0 113.793 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -107.42 -24.53 11.79 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -169.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.2 -24.99 19.75 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.983 0.811 . . . . 0.0 113.077 174.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 32.3 mt -128.2 -44.84 1.41 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.528 1.131 . . . . 0.0 113.591 -172.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 15.0 t60 56.2 22.16 5.89 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 127.544 2.337 . . . . 0.0 116.391 -176.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 23.2 m -61.19 154.32 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 O-C-N 120.766 -1.209 . . . . 0.0 112.549 173.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.14 157.64 86.56 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 127.923 2.489 . . . . 0.0 113.078 -176.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -49.05 -41.29 40.77 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 124.625 3.55 . . . . 0.0 115.187 178.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -61.02 -30.11 70.11 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 120.856 -1.153 . . . . 0.0 113.289 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -62.67 -40.88 98.47 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.98 0.809 . . . . 0.0 111.49 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -65.65 -46.79 77.82 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.58 0.752 . . . . 0.0 110.25 174.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -55.47 -43.81 75.87 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.994 0.518 . . . . 0.0 110.974 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 34.9 mt -58.36 -44.92 89.03 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.925 1.29 . . . . 0.0 113.495 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.02 -46.51 88.03 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.702 1.137 . . . . 0.0 110.491 173.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.21 -38.41 95.59 Favored Glycine 0 CA--C 1.535 1.302 0 O-C-N 121.137 -0.977 . . . . 0.0 113.918 174.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -63.37 -40.03 96.15 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.582 1.191 . . . . 0.0 111.716 174.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 71.0 t -59.39 -54.45 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.314 -0.866 . . . . 0.0 110.61 167.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 45.8 tp -50.91 -53.59 31.4 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.301 1.04 . . . . 0.0 111.968 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 24.9 m -60.06 -35.69 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 118.849 0.749 . . . . 0.0 112.522 177.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 24.5 t -64.47 -38.08 89.76 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.763 0.711 . . . . 0.0 111.681 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 1.9 m -68.0 -43.68 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 121.09 -1.006 . . . . 0.0 111.486 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -38.64 85.33 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.504 -0.748 . . . . 0.0 111.609 172.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.55 -21.52 62.65 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.056 0.843 . . . . 0.0 112.923 172.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.79 -63.27 1.42 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.591 0.756 . . . . 0.0 111.476 166.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -66.2 -27.33 67.9 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -170.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -114.72 27.95 9.08 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.175 1.79 . . . . 0.0 111.119 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.57 -37.47 50.15 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.927 1.251 . . . . 0.0 115.412 -175.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -64.95 -7.5 11.81 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.541 1.536 . . . . 0.0 114.791 173.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -125.9 21.97 7.48 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.111 1.765 . . . . 0.0 111.877 -168.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -58.77 83.84 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 127.045 2.138 . . . . 0.0 113.749 175.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.26 149.5 94.33 Favored Pre-proline 0 N--CA 1.481 1.106 0 O-C-N 120.353 -1.467 . . . . 0.0 111.444 176.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . 0.437 ' CB ' ' HD3' ' D' ' 125' ' ' PRO 0.364 13.1 Cg_exo -33.62 -93.35 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.052 1 C-N-CA 126.978 5.119 . . . . 0.0 118.159 -173.896 . . . . . . . . 4 3 . 1 . 018 nuclear orig core ' D' D ' 125' ' ' PRO . . . . . 0.437 ' HD3' ' CB ' ' D' ' 124' ' ' PRO . 71.6 Cg_exo -70.21 17.84 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 CA-C-N 124.538 2.656 . . . . 0.0 118.718 169.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 2.0 p -53.76 -43.11 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 CA-C-N 123.273 2.76 . . . . 0.0 113.881 -167.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -64.46 -41.16 96.69 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.42 -0.8 . . . . 0.0 111.691 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.11 92.01 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.324 1.05 . . . . 0.0 111.755 174.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.23 -43.59 95.92 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.147 0.979 . . . . 0.0 111.206 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -59.75 -52.34 65.92 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 118.565 -0.731 . . . . 0.0 112.422 168.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.02 -37.92 64.6 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.837 1.199 . . . . 0.0 112.583 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -61.84 -51.76 66.92 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.827 1.251 . . . . 0.0 113.404 173.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.36 -36.33 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 CA-C-N 119.941 1.246 . . . . 0.0 112.962 175.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 25.8 t -59.26 -45.61 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.963 1.305 . . . . 0.0 111.336 173.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.14 94.42 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.141 0.882 . . . . 0.0 111.727 175.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.58 -50.65 63.46 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 123.374 0.512 . . . . 0.0 112.86 170.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 32.8 t -60.89 -44.62 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 117.921 0.86 . . . . 0.0 112.319 175.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -57.79 -49.67 75.84 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.311 0.96 . . . . 0.0 111.932 175.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.27 -37.03 85.64 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.751 -0.593 . . . . 0.0 112.272 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.69 96.22 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.348 -0.845 . . . . 0.0 112.648 172.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 8.7 mt -68.18 -31.95 71.85 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 120.556 -1.34 . . . . 0.0 112.153 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.46 -6.64 41.94 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 169.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -56.21 -41.63 75.91 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.191 -1.568 . . . . 0.0 113.114 -173.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -70.35 5.84 1.59 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.349 1.46 . . . . 0.0 114.876 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -59.0 -17.8 28.37 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 120.346 1.43 . . . . 0.0 113.671 168.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 3.2 p80 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 125.472 1.509 . . . . 0.0 114.956 176.767 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.497 1.912 0 CA-C-O 116.147 -1.883 . . . . 0.0 108.468 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.1 mt 131.7 -169.87 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 131.157 3.783 . . . . 0.0 111.15 -173.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.52 165.28 23.73 Favored Pre-proline 0 N--CA 1.476 0.843 0 C-N-CA 127.003 2.121 . . . . 0.0 112.363 -173.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.78 -39.77 1.71 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.215 1.944 . . . . 0.0 112.111 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.49 -34.19 60.84 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 118.816 -0.612 . . . . 0.0 112.201 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.423 ' OD2' ' HE3' ' A' ' 127' ' ' LYS . 0.6 OUTLIER -61.17 -44.41 97.34 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 119.953 1.251 . . . . 0.0 110.702 178.076 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -51.75 -50.86 59.8 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.938 0.895 . . . . 0.0 112.338 173.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.3 m -54.85 -44.43 73.97 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.259 0.936 . . . . 0.0 111.469 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -72.42 -33.09 66.86 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.8 -51.06 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-N 119.175 0.898 . . . . 0.0 110.384 169.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -60.88 -41.32 95.75 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.746 0.819 . . . . 0.0 111.021 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.58 -54.14 49.98 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.302 0.641 . . . . 0.0 111.384 172.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.8 -54.06 47.13 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.657 0.662 . . . . 0.0 111.973 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -65.65 -25.07 67.18 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.028 0.931 . . . . 0.0 113.463 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.85 -36.8 93.88 Favored Glycine 0 CA--C 1.534 1.263 0 O-C-N 121.18 -0.95 . . . . 0.0 113.253 169.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -77.1 -32.48 56.63 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 118.043 0.922 . . . . 0.0 111.765 172.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.6 t -58.94 -50.98 77.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.146 0.978 . . . . 0.0 111.41 173.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.45 -134.62 6.6 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 123.887 0.756 . . . . 0.0 113.79 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.73 -19.57 64.08 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -70.4 -6.51 36.14 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.042 -1.036 . . . . 0.0 113.54 176.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.519 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -40.05 -56.42 1.87 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.443 1.497 . . . . 0.0 113.074 175.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.95 -33.47 87.33 Favored Glycine 0 N--CA 1.468 0.83 0 O-C-N 121.657 -0.652 . . . . 0.0 114.247 -178.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.36 -47.57 85.26 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.385 1.074 . . . . 0.0 109.755 173.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -67.47 -37.94 83.65 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.901 0.48 . . . . 0.0 111.964 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.81 -49.27 80.52 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-N 118.625 0.648 . . . . 0.0 112.708 171.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.72 -49.83 75.91 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.138 0.969 . . . . 0.0 111.292 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -57.32 -37.26 72.23 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 173.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -67.92 -37.31 81.51 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.198 0.908 . . . . 0.0 113.033 -179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.46 -46.41 88.61 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.148 0.979 . . . . 0.0 111.531 170.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.42 -48.04 83.01 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.792 -0.568 . . . . 0.0 112.023 176.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -54.33 -46.18 72.84 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 118.198 -0.906 . . . . 0.0 111.753 172.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.8 ttp -57.48 -46.61 83.5 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.977 0.808 . . . . 0.0 112.675 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.43 -54.14 50.2 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.583 0.629 . . . . 0.0 110.918 172.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.8 -40.64 97.14 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.297 0.639 . . . . 0.0 112.273 -173.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.8 p -76.51 -29.68 56.88 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.133 1.373 . . . . 0.0 112.922 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.89 76.01 23.62 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.714 1.606 . . . . 0.0 109.32 -172.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -49.53 -28.1 15.71 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 124.279 3.319 . . . . 0.0 115.392 -177.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -40.64 -44.99 2.26 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.631 1.972 . . . . 0.0 113.343 165.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 p -63.34 -26.21 68.66 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -176.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -54.78 -30.98 58.16 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.611 1.096 . . . . 0.0 113.04 174.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 t -59.03 -31.41 68.81 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 175.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.433 ' CD1' HG23 ' A' ' 93' ' ' VAL . 30.2 m-85 -80.27 12.06 3.16 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.828 1.251 . . . . 0.0 113.6 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -123.64 63.39 27.4 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 126.583 1.953 . . . . 0.0 110.586 172.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -70.42 -4.65 14.9 Favored 'Trans proline' 0 CA--C 1.548 1.18 0 C-N-CA 123.917 3.078 . . . . 0.0 114.512 -176.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.85 22.03 1.6 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.127 1.771 . . . . 0.0 113.736 -170.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -129.03 109.17 10.98 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.75 1.22 . . . . 0.0 110.31 -168.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -73.9 113.38 10.99 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.613 -0.68 . . . . 0.0 111.203 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.8 mt -89.1 35.01 0.79 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.008 0.923 . . . . 0.0 112.216 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.0 m -53.38 150.99 5.85 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.519 1.528 . . . . 0.0 112.105 174.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -58.33 125.07 21.7 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.23 -0.919 . . . . 0.0 110.976 176.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.63 20.58 78.6 Favored Glycine 0 CA--C 1.541 1.66 0 CA-C-O 118.842 -0.977 . . . . 0.0 115.074 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.51 117.18 2.27 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.062 1.431 . . . . 0.0 114.102 -175.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.33 -35.92 68.16 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.436 1.095 . . . . 0.0 113.01 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -63.22 -38.35 90.81 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 173.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.6 t -70.46 -42.89 78.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 CA-C-N 119.789 1.177 . . . . 0.0 110.874 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -60.66 -47.79 84.66 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.876 0.871 . . . . 0.0 111.561 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.98 -57.45 19.66 Favored Glycine 0 C--O 1.222 -0.656 0 C-N-CA 125.154 1.359 . . . . 0.0 111.882 173.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -52.32 -43.77 64.73 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.68 1.24 . . . . 0.0 112.237 176.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.47 -49.1 40.27 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.262 -0.743 . . . . 0.0 114.249 170.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -55.8 -44.91 78.25 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.417 1.109 . . . . 0.0 111.934 172.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -62.84 -52.07 64.56 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 118.945 0.793 . . . . 0.0 111.649 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.0 t -53.25 -47.45 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.993 0.917 . . . . 0.0 110.805 175.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.519 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -73.62 -34.42 65.02 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -176.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -65.39 -36.65 84.63 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 121.162 -0.961 . . . . 0.0 111.58 170.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.44 -30.13 70.42 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.154 -0.966 . . . . 0.0 112.787 168.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -45.72 90.09 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.733 -1.23 . . . . 0.0 111.255 166.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 54.0 m -55.36 -46.41 76.44 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 120.143 1.338 . . . . 0.0 112.479 169.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.93 -27.5 65.81 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.839 -1.163 . . . . 0.0 112.816 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.57 -56.61 14.6 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 117.182 -1.39 . . . . 0.0 110.422 160.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -48.47 -39.6 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 CA-C-N 121.359 1.89 . . . . 0.0 112.666 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.17 -24.7 66.7 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -145.43 42.16 1.26 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.002 1.721 . . . . 0.0 112.95 -169.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.3 p -87.31 -45.76 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -161.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -80.29 -7.91 59.24 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 120.696 1.589 . . . . 0.0 111.729 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -119.49 2.68 11.25 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.325 -1.484 . . . . 0.0 113.57 -170.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 mtt -27.31 88.33 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.19 0 C-N-CA 128.216 2.607 . . . . 0.0 115.427 -167.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -91.57 49.62 0.66 Allowed 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.522 2.814 . . . . 0.0 111.487 -165.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . 0.339 0.0 OUTLIER 72.44 16.49 4.94 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.503 1.921 . . . . 0.0 114.457 -164.591 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.12 -16.81 61.22 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -177.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.1 mt -101.48 4.19 40.97 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 119.589 1.086 . . . . 0.0 112.504 170.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.6 t -59.74 -36.64 77.01 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.777 -1.202 . . . . 0.0 113.649 -174.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.7 -28.15 63.57 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.252 0.933 . . . . 0.0 112.571 172.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mt -85.17 -43.1 14.12 Favored 'General case' 0 CA--C 1.526 0.052 0 C-N-CA 124.722 1.209 . . . . 0.0 110.341 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -55.47 -38.75 69.49 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.874 -0.584 . . . . 0.0 111.606 169.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -64.37 -48.25 76.19 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.069 1.348 . . . . 0.0 112.561 171.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.17 -45.58 72.13 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.451 1.023 . . . . 0.0 110.254 175.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -69.37 -61.99 1.56 Allowed 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.657 -0.652 . . . . 0.0 110.242 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.6 -28.48 65.63 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -173.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -109.18 3.87 22.29 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.067 0.947 . . . . 0.0 112.993 -174.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -142.04 -35.95 0.43 Allowed 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -176.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.87 -48.42 0.33 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 115.659 1.726 . . . . 0.0 115.659 -173.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 52.54 50.0 19.17 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 127.642 2.377 . . . . 0.0 114.955 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.433 HG23 ' CD1' ' A' ' 42' ' ' TYR . 6.3 t -59.35 148.37 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.508 0.723 . . . . 0.0 112.076 175.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.2 139.68 97.75 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 123.978 0.911 . . . . 0.0 111.587 175.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.23 -13.02 1.77 Allowed 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 124.019 3.146 . . . . 0.0 115.547 170.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.3 p -51.43 -45.39 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 120.79 1.632 . . . . 0.0 111.946 168.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.11 -37.85 78.17 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.439 -0.788 . . . . 0.0 111.03 174.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.449 ' CG ' ' HB3' ' A' ' 133' ' ' SER . 12.4 t80 -60.27 -51.01 71.36 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 118.561 -0.733 . . . . 0.0 110.881 173.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -57.59 -32.21 66.95 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 119.283 0.947 . . . . 0.0 112.262 -177.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.8 mt -70.65 -57.76 4.37 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.412 1.085 . . . . 0.0 110.003 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.3 tp -50.54 -45.1 56.7 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.837 1.655 . . . . 0.0 112.725 176.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.9 p -65.66 -44.96 84.73 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.371 -0.83 . . . . 0.0 112.827 -178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -39.07 88.85 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.566 -0.708 . . . . 0.0 111.068 170.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 76.8 m -64.25 -38.4 90.92 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.579 -0.701 . . . . 0.0 111.188 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.1 mt -63.66 -49.7 72.16 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.228 1.011 . . . . 0.0 111.638 173.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.2 mt -49.58 -47.44 49.41 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.283 0.947 . . . . 0.0 110.608 173.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.2 t -54.34 -48.56 67.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 123.353 0.661 . . . . 0.0 112.405 173.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -38.68 89.23 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 120.402 1.455 . . . . 0.0 112.581 177.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mt -59.23 -44.16 92.34 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.853 0.751 . . . . 0.0 109.836 176.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.65 -35.75 68.73 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.417 -0.802 . . . . 0.0 112.876 175.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.21 -6.98 10.82 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -137.91 -31.09 0.79 Allowed 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -173.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.2 170.32 16.57 Favored Pre-proline 0 CA--C 1.555 1.157 0 C-N-CA 124.919 1.287 . . . . 0.0 109.949 168.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -75.07 -128.67 0.01 OUTLIER 'Trans proline' 0 CA--C 1.546 1.096 0 C-N-CA 122.741 2.294 . . . . 0.0 108.798 164.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.4 61.07 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.408 1.483 . . . . 0.0 113.847 172.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.86 -17.11 1.22 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 119.394 -2.066 . . . . 0.0 114.462 176.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' B' ' 113' ' ' VAL . 0.2 OUTLIER -97.31 28.68 3.54 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 127.296 2.239 . . . . 0.0 112.793 179.332 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.5 170.88 1.16 Allowed Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 119.127 -2.233 . . . . 0.0 111.226 168.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -56.78 -51.4 9.09 Favored 'Trans proline' 0 C--N 1.346 0.434 0 CA-C-N 122.744 2.016 . . . . 0.0 111.615 166.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.2 -34.46 77.69 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.665 -0.683 . . . . 0.0 112.705 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.8 t -96.9 -38.05 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.661 1.118 . . . . 0.0 112.781 -176.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -69.68 -49.48 53.11 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 120.482 1.492 . . . . 0.0 111.603 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.04 -50.74 72.41 Favored 'General case' 0 C--N 1.345 0.412 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.3 t -48.66 -60.86 2.37 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 118.082 -0.961 . . . . 0.0 112.897 174.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.95 -41.54 91.11 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.913 1.233 . . . . 0.0 112.17 -173.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.83 -50.37 72.54 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.444 1.02 . . . . 0.0 111.963 176.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.423 ' HE3' ' OD2' ' A' ' 6' ' ' ASP . 0.0 OUTLIER -71.73 -31.02 66.26 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 178.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -60.54 -56.64 18.94 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.781 1.233 . . . . 0.0 109.842 171.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.53 -37.47 81.29 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.671 177.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.52 -38.13 74.16 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 120.495 1.498 . . . . 0.0 114.2 170.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.1 m -70.99 -36.91 72.66 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 120.215 -1.553 . . . . 0.0 112.684 170.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 94.8 t -57.56 -49.38 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-O 117.18 -1.39 . . . . 0.0 109.485 171.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.449 ' HB3' ' CG ' ' A' ' 98' ' ' PHE . 1.4 p -60.43 -43.69 96.53 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 120.98 1.718 . . . . 0.0 113.209 174.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 42.9 m -51.0 -48.32 61.42 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.965 1.257 . . . . 0.0 110.913 174.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 64.0 t -78.94 -26.31 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -3.07 29.83 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.351 -1.468 . . . . 0.0 113.369 168.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 84.9 m -123.45 -17.91 6.37 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.405 1.482 . . . . 0.0 112.473 -176.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.8 p . . . . . 0 CA--C 1.546 0.801 0 O-C-N 120.882 -1.136 . . . . 0.0 112.613 173.62 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.301 1.4 p . . . . . 0 N--CA 1.515 2.812 0 CA-C-O 117.638 -1.173 . . . . 0.0 112.779 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 35.97 67.19 0.31 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 126.887 2.075 . . . . 0.0 114.742 172.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.21 162.59 4.39 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.349 0.66 . . . . 0.0 112.407 -173.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.15 151.16 87.21 Favored Pre-proline 0 N--CA 1.479 1.019 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.452 166.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -52.85 -35.48 70.26 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 122.61 2.207 . . . . 0.0 114.662 172.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -73.4 -42.54 61.99 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.531 -0.73 . . . . 0.0 112.388 176.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -63.5 -44.99 92.74 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.481 -0.762 . . . . 0.0 111.534 173.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -51.53 66.94 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.486 1.114 . . . . 0.0 110.524 172.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.8 t -51.44 -48.44 62.73 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.556 0.616 . . . . 0.0 111.067 175.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.4 -56.95 15.54 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 4.1 p -62.75 -49.26 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 120.144 1.338 . . . . 0.0 111.621 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -75.21 -33.43 61.37 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.927 0.785 . . . . 0.0 112.58 -171.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.85 -35.77 79.14 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 120.3 1.409 . . . . 0.0 111.768 172.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -36.34 77.31 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.384 -0.822 . . . . 0.0 111.336 172.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -58.61 -42.78 88.94 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.927 0.891 . . . . 0.0 112.146 167.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.16 -31.67 59.33 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.461 1.505 . . . . 0.0 115.618 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -94.61 -12.3 27.71 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 118.41 1.105 . . . . 0.0 113.519 174.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.416 HG23 HG12 ' B' ' 23' ' ' VAL . 0.4 OUTLIER -63.46 137.48 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 124.144 0.978 . . . . 0.0 111.801 -168.796 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -85.02 83.54 8.02 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 175.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 41.8 t -53.47 -33.74 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 119.699 1.136 . . . . 0.0 113.266 -169.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -38.81 92.31 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.617 1.567 . . . . 0.0 112.713 174.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -107.15 -40.14 5.51 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.451 0.7 . . . . 0.0 111.676 -166.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.416 HG12 HG23 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -61.26 -33.6 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 119.327 0.967 . . . . 0.0 110.805 162.479 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.12 -47.89 7.27 Favored Glycine 0 C--N 1.342 0.906 0 O-C-N 121.504 -0.748 . . . . 0.0 111.387 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.88 -43.3 94.85 Favored Glycine 0 C--N 1.337 0.611 0 CA-C-N 117.678 0.739 . . . . 0.0 112.572 171.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.566 ' HB2' HH11 ' B' ' 30' ' ' ARG . 4.4 pt-20 -72.14 -43.61 64.41 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 116.851 -1.547 . . . . 0.0 111.98 176.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.99 95.72 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 122.612 2.46 . . . . 0.0 112.229 177.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.2 tp -68.14 -45.45 73.55 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-O 119.377 -0.344 . . . . 0.0 111.702 177.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.36 -44.14 93.59 Favored Glycine 0 N--CA 1.465 0.621 0 O-C-N 120.881 -1.137 . . . . 0.0 111.52 171.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.595 ' HA ' HG23 ' B' ' 33' ' ' VAL . 0.6 OUTLIER -63.39 -21.7 66.44 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 116.829 -1.558 . . . . 0.0 113.759 177.297 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 tp -65.97 -55.23 17.82 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.85 1.659 . . . . 0.0 110.205 161.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.83 -31.66 72.42 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.465 -0.772 . . . . 0.0 112.016 -172.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.595 HG23 ' HA ' ' B' ' 30' ' ' ARG . 12.4 m -68.5 -19.81 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 t -63.52 -3.99 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 CA-C-N 120.876 1.671 . . . . 0.0 112.056 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 45.38 45.52 2.35 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 126.14 1.776 . . . . 0.0 111.704 -161.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -76.15 167.41 25.99 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 121.018 1.145 . . . . 0.0 109.203 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -51.85 -23.09 4.34 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 168.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 3.1 p -57.56 -23.62 51.6 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.768 -1.208 . . . . 0.0 112.567 171.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -55.55 -19.24 9.34 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.741 1.216 . . . . 0.0 113.32 174.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.417 ' HD3' ' CD2' ' B' ' 41' ' ' PHE . 0.0 OUTLIER -51.13 -39.99 57.5 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.315 1.871 . . . . 0.0 112.749 167.496 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . 0.417 ' CD2' ' HD3' ' B' ' 40' ' ' ARG . 68.0 m-85 -88.87 6.49 38.91 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.405 1.082 . . . . 0.0 113.462 -178.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.24 -27.01 5.3 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 176.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -50.63 -18.2 0.65 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 128.6 2.76 . . . . 0.0 116.369 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 30.4 p -109.13 -3.16 17.54 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.722 1.609 . . . . 0.0 114.176 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -96.74 -17.14 20.49 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -171.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.06 150.78 0.55 Allowed Glycine 0 CA--C 1.536 1.396 0 CA-C-N 119.47 1.032 . . . . 0.0 114.619 -178.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 t0 37.54 -82.67 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 128.807 2.843 . . . . 0.0 115.939 -172.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 42.66 -12.01 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.236 1 C-N-CA 132.527 4.331 . . . . 0.0 121.61 176.44 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 21.9 t -58.15 -17.34 17.85 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.175 1.79 . . . . 0.0 114.551 -171.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' THR . . . . . 0.454 ' HG1' ' H ' ' B' ' 53' ' ' ALA . 2.1 p -136.7 166.45 27.44 Favored Pre-proline 0 N--CA 1.472 0.646 0 C-N-CA 126.71 2.004 . . . . 0.0 109.782 -176.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -59.63 -53.44 3.33 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 121.702 1.601 . . . . 0.0 112.47 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.42 -36.14 73.14 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.213 1.005 . . . . 0.0 111.73 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.454 ' H ' ' HG1' ' B' ' 50' ' ' THR . . . -61.7 -59.87 4.52 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.258 0.623 . . . . 0.0 111.634 170.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.6 p -65.59 -35.27 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 120.485 -1.385 . . . . 0.0 113.479 -171.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 5.9 mtt -77.2 -30.79 54.94 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.54 0.736 . . . . 0.0 112.862 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.47 -24.46 23.82 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 123.905 0.764 . . . . 0.0 114.32 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.486 HD21 HG21 ' B' ' 60' ' ' VAL . 8.0 t30 -61.83 125.76 85.64 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 124.642 1.177 . . . . 0.0 112.996 -174.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.33 -38.23 35.75 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.305 2.67 . . . . 0.0 113.645 -170.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -61.76 -38.55 88.44 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.186 0.903 . . . . 0.0 112.512 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.486 HG21 HD21 ' B' ' 57' ' ' ASN . 95.7 t -65.16 -37.63 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-O 118.701 -0.666 . . . . 0.0 110.806 172.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -67.93 -47.54 68.45 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 120.117 1.326 . . . . 0.0 111.873 175.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.86 75.63 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.97 0.908 . . . . 0.0 113.247 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.39 -36.53 80.51 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.748 -1.22 . . . . 0.0 111.09 171.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.0 -48.09 64.04 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 126.145 1.831 . . . . 0.0 113.192 169.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -60.56 -34.53 74.29 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 118.536 -0.745 . . . . 0.0 112.622 171.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -68.8 -50.35 50.96 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.103 0.961 . . . . 0.0 113.044 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -52.43 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 119.992 1.269 . . . . 0.0 111.139 175.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 tt -72.64 -32.26 65.75 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.944 -0.472 . . . . 0.0 112.263 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.72 -35.7 75.48 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 125.031 1.301 . . . . 0.0 112.793 170.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.14 86.74 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.726 1.263 . . . . 0.0 111.184 166.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.419 ' CE1' HG13 ' B' ' 137' ' ' VAL . 2.0 m-30 -59.18 -34.56 72.27 Favored 'General case' 0 CA--C 1.552 1.053 0 O-C-N 120.518 -1.364 . . . . 0.0 111.584 177.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -44.32 76.99 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.449 1.1 . . . . 0.0 113.63 171.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.22 -34.13 68.24 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.692 0.797 . . . . 0.0 111.457 170.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.42 -63.71 4.77 Favored Glycine 0 C--O 1.221 -0.679 0 CA-C-O 119.019 -0.878 . . . . 0.0 111.535 167.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.01 -31.53 30.06 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 118.983 1.391 . . . . 0.0 114.124 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.27 -25.62 51.59 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.788 1.635 . . . . 0.0 115.117 175.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -146.01 44.79 1.26 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.827 1.651 . . . . 0.0 112.645 -170.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.437 HD21 HD23 ' B' ' 81' ' ' LEU . 33.1 mt -57.45 -18.01 16.12 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -178.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -50.67 -39.87 52.15 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.465 1.506 . . . . 0.0 113.86 170.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -150.98 96.33 2.31 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.903 0.881 . . . . 0.0 112.096 -175.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.437 HD23 HD21 ' B' ' 78' ' ' LEU . 28.8 mt -81.46 -45.76 15.54 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.47 -0.768 . . . . 0.0 112.98 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -56.88 -23.85 47.64 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 173.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.5 -7.67 64.84 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.464 1.507 . . . . 0.0 115.142 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.81 -19.08 12.55 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 118.925 1.363 . . . . 0.0 112.758 175.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . 0.567 ' CE2' HG21 ' B' ' 137' ' ' VAL . 18.5 m-85 -108.43 5.57 25.45 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.09 -39.34 55.88 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 121.002 1.728 . . . . 0.0 114.992 -173.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 10.6 p -64.84 -35.95 82.75 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.424 1.09 . . . . 0.0 112.833 172.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.95 -41.77 70.67 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 124.578 1.151 . . . . 0.0 110.55 172.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -56.96 -42.41 80.06 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.651 1.114 . . . . 0.0 111.007 172.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -65.69 -45.1 84.11 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.328 -0.858 . . . . 0.0 112.688 172.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.07 -50.85 70.31 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 120.699 -1.251 . . . . 0.0 112.081 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -78.81 -8.33 58.69 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -176.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 11.4 t -119.61 -65.8 1.13 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.776 0.717 . . . . 0.0 112.764 176.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.59 -35.9 82.5 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.524 -1.36 . . . . 0.0 114.132 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -94.43 -69.36 0.76 Allowed 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 65.2 mt -77.69 -33.13 53.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.29 1.036 . . . . 0.0 112.147 -175.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 52.54 21.61 1.87 Allowed 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -176.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -45.79 127.99 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.185 1.394 . . . . 0.0 111.01 174.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.27 132.56 91.59 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-O 118.854 -0.593 . . . . 0.0 111.805 -173.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -47.94 -24.91 5.65 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 124.805 3.67 . . . . 0.0 118.488 -174.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -51.25 -35.56 37.77 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.913 1.233 . . . . 0.0 112.094 171.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -66.43 -35.16 79.62 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.482 1.513 . . . . 0.0 111.433 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -65.36 -46.62 79.45 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.784 0.834 . . . . 0.0 110.833 175.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -62.71 -43.72 98.07 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 121.726 -0.609 . . . . 0.0 111.798 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 19.8 mt -55.04 -49.72 70.87 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 119.387 -0.34 . . . . 0.0 111.382 172.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.54 -33.88 70.38 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.323 0.649 . . . . 0.0 112.63 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -68.15 -51.78 31.36 Favored Glycine 0 N--CA 1.467 0.746 0 O-C-N 121.27 -0.893 . . . . 0.0 113.763 169.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -63.74 -33.96 76.81 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.981 -0.717 . . . . 0.0 112.572 -177.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 15.5 m -67.74 -42.19 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 117.799 -1.096 . . . . 0.0 112.375 169.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 41.7 tp -60.09 -48.79 80.24 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 121.147 1.794 . . . . 0.0 111.337 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 33.6 m -59.23 -34.78 54.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.623 0.647 . . . . 0.0 111.909 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 8.1 t -64.34 -41.27 96.86 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.709 0.686 . . . . 0.0 112.802 171.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . 0.4 ' HA ' ' CE2' ' A' ' 117' ' ' PHE 0.266 1.5 m -72.21 -38.52 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 O-C-N 120.464 -1.398 . . . . 0.0 113.052 -179.8 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 21.8 mt -55.94 -42.86 76.82 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.389 0.675 . . . . 0.0 110.552 170.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.47 -22.25 64.9 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 115.049 1.499 . . . . 0.0 115.049 176.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -76.63 -63.55 1.32 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 121.371 1.896 . . . . 0.0 111.382 168.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -63.57 -23.26 67.31 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -168.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -125.7 18.89 7.99 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.137 1.375 . . . . 0.0 112.779 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -47.94 -41.01 20.56 Favored Glycine 0 N--CA 1.479 1.536 0 C-N-CA 125.3 1.429 . . . . 0.0 116.304 -172.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -58.98 -16.94 20.5 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 126.112 1.765 . . . . 0.0 114.83 176.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -134.14 13.39 3.9 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.336 2.254 . . . . 0.0 111.947 -177.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -95.58 59.5 2.12 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.651 1.18 . . . . 0.0 112.079 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 54.0 p -54.93 157.06 6.05 Favored Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 125.643 1.577 . . . . 0.0 113.325 -172.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -48.36 -47.05 21.18 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 121.943 1.762 . . . . 0.0 114.883 173.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -59.68 -31.23 93.91 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.091 1.86 . . . . 0.0 114.98 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.37 -40.51 73.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 121.264 1.847 . . . . 0.0 112.852 -178.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 8.6 tm0? -57.82 -51.83 67.96 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.95 -44.23 86.84 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 123.683 0.793 . . . . 0.0 112.718 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -56.51 -54.32 47.15 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.877 1.271 . . . . 0.0 111.558 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -53.15 -50.6 64.23 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.589 0.631 . . . . 0.0 112.126 171.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -36.61 72.8 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 118.421 -0.799 . . . . 0.0 111.781 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -69.87 -38.29 76.36 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.706 1.139 . . . . 0.0 112.847 177.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.77 -47.36 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 CA-C-N 119.574 1.079 . . . . 0.0 110.559 167.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 65.9 t -78.5 -26.33 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 122.842 0.457 . . . . 0.0 112.176 -171.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.85 97.56 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.042 -1.661 . . . . 0.0 110.56 167.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.52 -47.39 90.19 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 124.146 0.879 . . . . 0.0 113.088 169.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . 0.567 HG21 ' CE2' ' B' ' 85' ' ' PHE . 0.4 OUTLIER -57.15 -46.03 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 CA-C-N 119.313 1.556 . . . . 0.0 111.837 174.448 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.91 89.91 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.858 0.754 . . . . 0.0 111.311 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.31 -39.22 86.22 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.58 0.752 . . . . 0.0 112.776 172.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.61 -42.41 78.18 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.721 -0.612 . . . . 0.0 112.285 175.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.17 -41.12 98.01 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.443 1.474 . . . . 0.0 111.53 173.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.6 -11.45 11.45 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.709 1.203 . . . . 0.0 114.092 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -53.47 -35.42 60.54 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 121.55 1.977 . . . . 0.0 114.237 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -76.37 -6.95 53.86 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 176.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.113 0 C-N-CA 126.649 1.98 . . . . 0.0 113.783 -176.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.5 2.06 0 CA-C-O 116.314 -1.803 . . . . 0.0 108.351 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 46.3 mt 131.56 -169.95 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 131.256 3.822 . . . . 0.0 111.234 -173.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.34 165.26 23.45 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 127.145 2.178 . . . . 0.0 112.383 -173.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -73.72 -40.04 1.63 Allowed 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.299 1.999 . . . . 0.0 111.992 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.39 -34.19 61.07 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 118.771 -0.633 . . . . 0.0 112.264 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . 0.426 ' OD2' ' HE3' ' C' ' 127' ' ' LYS . 0.6 OUTLIER -61.09 -44.57 97.16 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.898 1.226 . . . . 0.0 110.713 178.011 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -51.6 -50.87 59.37 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.939 0.895 . . . . 0.0 112.381 173.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 53.4 m -54.84 -44.38 73.87 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.234 0.925 . . . . 0.0 111.533 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -72.43 -33.18 66.91 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.56 -51.23 70.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 119.206 0.912 . . . . 0.0 110.486 169.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.71 -41.62 95.6 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.875 0.87 . . . . 0.0 111.042 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.34 -54.18 49.66 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.382 0.673 . . . . 0.0 111.474 172.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.79 -54.03 47.46 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.576 0.625 . . . . 0.0 111.996 176.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -65.62 -25.03 67.2 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.98 -36.7 93.81 Favored Glycine 0 CA--C 1.535 1.282 0 O-C-N 121.177 -0.952 . . . . 0.0 113.208 169.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -77.08 -32.47 56.76 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 118.095 0.948 . . . . 0.0 111.829 172.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.19 -50.94 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.214 1.006 . . . . 0.0 111.318 173.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.55 -134.65 6.72 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 123.742 0.687 . . . . 0.0 113.798 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.91 -19.42 64.2 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -70.43 -6.54 36.5 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.114 -0.991 . . . . 0.0 113.58 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . 0.539 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -40.05 -56.4 1.87 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.496 1.518 . . . . 0.0 112.986 175.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.95 -33.62 87.73 Favored Glycine 0 N--CA 1.468 0.825 0 O-C-N 121.71 -0.619 . . . . 0.0 114.226 -178.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.31 -47.64 85.01 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.477 1.111 . . . . 0.0 109.628 173.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -67.53 -37.6 82.98 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 122.973 0.509 . . . . 0.0 112.057 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.11 -49.02 82.81 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-N 118.662 0.665 . . . . 0.0 112.669 171.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.96 -49.82 75.9 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.118 0.959 . . . . 0.0 111.214 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -57.47 -37.33 72.71 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 173.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . 0.412 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -67.83 -37.27 81.71 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.177 0.899 . . . . 0.0 113.002 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.34 -46.3 89.31 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.192 0.997 . . . . 0.0 111.634 170.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.65 -47.88 83.38 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.741 -0.599 . . . . 0.0 112.006 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 71.6 mtt85 -54.49 -46.11 73.38 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 118.153 -0.927 . . . . 0.0 111.711 173.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 63.8 ttp -57.49 -46.57 83.58 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.954 0.797 . . . . 0.0 112.521 177.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.5 -54.09 50.74 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 118.636 0.653 . . . . 0.0 111.008 172.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.75 -40.65 97.24 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.304 0.641 . . . . 0.0 112.131 -173.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 86.4 p -76.55 -29.78 56.82 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.038 1.335 . . . . 0.0 112.942 -176.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.77 76.3 23.78 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.769 1.628 . . . . 0.0 109.316 -172.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.51 -28.42 16.28 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 124.202 3.268 . . . . 0.0 115.317 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -40.64 -44.18 2.08 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.43 1.892 . . . . 0.0 113.44 165.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 64.8 p -64.01 -26.41 68.56 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -54.82 -31.12 58.88 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.649 1.113 . . . . 0.0 112.908 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 1.1 t -58.83 -31.35 68.4 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' TYR . . . . . 0.444 ' CD1' HG23 ' C' ' 93' ' ' VAL . 29.9 m-85 -80.27 11.79 3.33 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.855 1.262 . . . . 0.0 113.568 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -123.34 63.34 24.31 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 126.625 1.97 . . . . 0.0 110.661 172.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -70.38 -4.61 14.8 Favored 'Trans proline' 0 CA--C 1.547 1.165 0 C-N-CA 123.801 3.0 . . . . 0.0 114.544 -176.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.75 21.99 1.62 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.267 1.827 . . . . 0.0 113.893 -170.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -128.94 109.14 10.99 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.758 1.223 . . . . 0.0 110.328 -168.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -73.9 113.48 11.11 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.666 -0.646 . . . . 0.0 111.211 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 21.7 mt -89.08 34.93 0.79 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.975 0.91 . . . . 0.0 112.347 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 19.9 m -53.31 150.98 5.72 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.446 1.498 . . . . 0.0 112.22 174.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -58.25 125.03 21.48 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.217 -0.927 . . . . 0.0 111.064 176.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.71 20.53 78.66 Favored Glycine 0 CA--C 1.54 1.621 0 CA-C-O 118.772 -1.016 . . . . 0.0 115.092 -177.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.55 117.26 2.33 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.047 1.423 . . . . 0.0 114.206 -175.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.38 -35.94 68.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.482 1.113 . . . . 0.0 113.037 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -63.2 -38.31 90.65 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 173.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 96.2 t -70.56 -42.79 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 CA-C-N 119.721 1.146 . . . . 0.0 110.797 176.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -60.86 -47.68 85.25 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.882 0.873 . . . . 0.0 111.483 175.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.95 -57.51 19.33 Favored Glycine 0 C--O 1.223 -0.589 0 C-N-CA 125.244 1.402 . . . . 0.0 111.897 173.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -52.33 -43.68 64.72 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.681 1.24 . . . . 0.0 112.278 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.4 -49.29 39.19 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 123.987 0.803 . . . . 0.0 114.102 170.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -55.85 -44.85 78.42 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.418 1.109 . . . . 0.0 111.916 172.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -62.9 -51.98 64.83 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.058 0.845 . . . . 0.0 111.652 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 94.9 t -53.18 -47.76 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.041 0.936 . . . . 0.0 110.691 175.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 63' ' ' ALA . . . . . 0.539 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -73.25 -34.5 65.89 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -176.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -65.47 -36.59 84.33 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.12 -0.988 . . . . 0.0 111.612 170.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.18 70.4 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.119 -0.988 . . . . 0.0 112.708 168.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.26 -45.68 90.35 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 120.67 -1.269 . . . . 0.0 111.239 166.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 53.3 m -55.51 -46.05 77.04 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.219 1.372 . . . . 0.0 112.524 169.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -27.73 66.13 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.977 -1.077 . . . . 0.0 112.805 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.67 -56.37 16.27 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 117.35 -1.309 . . . . 0.0 110.469 160.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 92.9 t -48.62 -39.29 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 CA-C-N 121.396 1.907 . . . . 0.0 112.693 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.57 -24.68 66.39 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 175.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -145.45 42.0 1.25 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.005 1.722 . . . . 0.0 112.957 -169.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 7.5 p -87.27 -45.75 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 O-C-N 120.099 -1.625 . . . . 0.0 115.024 -161.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -80.37 -8.3 59.45 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-N 120.719 1.6 . . . . 0.0 111.669 174.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -118.7 1.94 11.64 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.402 -1.436 . . . . 0.0 113.556 -171.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 1.6 mtt -26.16 87.52 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.183 0 C-N-CA 128.304 2.642 . . . . 0.0 115.594 -167.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -90.91 47.31 0.67 Allowed 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.521 2.814 . . . . 0.0 111.607 -165.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . 0.342 0.0 OUTLIER 74.58 16.07 3.24 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 126.921 2.088 . . . . 0.0 114.397 -164.061 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.97 -16.69 60.42 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 116.173 1.916 . . . . 0.0 116.173 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 64.1 mt -101.52 4.22 40.89 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.614 1.097 . . . . 0.0 112.49 170.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 35.9 t -59.45 -36.95 76.9 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.735 -1.228 . . . . 0.0 113.662 -174.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.67 -28.07 63.43 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.156 0.889 . . . . 0.0 112.674 172.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mt -85.13 -43.12 14.13 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.841 1.257 . . . . 0.0 110.385 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -55.64 -38.54 69.66 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.844 -0.598 . . . . 0.0 111.528 169.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -64.62 -48.0 76.5 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.031 1.333 . . . . 0.0 112.66 171.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.29 -45.38 72.5 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.464 1.029 . . . . 0.0 110.334 175.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -69.28 -62.18 1.49 Allowed 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 121.655 -0.653 . . . . 0.0 110.361 178.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.64 -28.36 65.61 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -173.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -109.1 3.89 22.46 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.236 1.014 . . . . 0.0 113.03 -174.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -142.2 -36.04 0.42 Allowed 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -176.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.85 -48.35 0.33 Allowed 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -173.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 33.4 ttt85 52.61 49.8 19.57 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 127.549 2.339 . . . . 0.0 114.974 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . 0.444 HG23 ' CD1' ' C' ' 42' ' ' TYR . 6.3 t -59.35 148.42 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 123.49 0.716 . . . . 0.0 112.143 175.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.18 139.61 97.73 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 123.927 0.891 . . . . 0.0 111.591 175.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -52.17 -13.04 1.73 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 124.108 3.205 . . . . 0.0 115.547 170.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 9.2 p -51.35 -45.5 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 120.722 1.601 . . . . 0.0 111.962 168.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -58.97 -38.01 78.11 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.382 -0.824 . . . . 0.0 111.004 174.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . 0.453 ' CG ' ' HB3' ' C' ' 133' ' ' SER . 12.3 t80 -60.15 -51.25 70.42 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.826 173.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -57.24 -32.26 66.37 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 119.385 0.993 . . . . 0.0 112.152 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 56.9 mt -70.98 -57.36 4.63 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.216 1.006 . . . . 0.0 109.864 175.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 tp -51.2 -44.51 61.61 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.632 1.573 . . . . 0.0 112.729 176.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 88.4 p -66.1 -44.7 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.377 -0.827 . . . . 0.0 112.769 -178.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -38.87 88.88 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.691 -0.63 . . . . 0.0 111.181 170.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 104' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 76.3 m -64.28 -38.65 91.79 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.599 -0.688 . . . . 0.0 111.2 179.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 49.2 mt -63.16 -50.37 70.65 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 124.248 1.019 . . . . 0.0 111.551 172.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 10.4 mt -49.07 -47.45 44.98 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.476 1.034 . . . . 0.0 110.754 173.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.31 -48.35 67.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 123.412 0.685 . . . . 0.0 112.515 173.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -38.57 88.04 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.222 1.374 . . . . 0.0 112.384 177.315 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mt -59.29 -44.02 92.53 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.873 0.761 . . . . 0.0 109.904 176.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.76 -35.65 68.88 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.52 -0.737 . . . . 0.0 112.889 175.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.3 -7.05 11.49 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -137.82 -31.04 0.8 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -173.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 9.4 mp -76.2 170.45 15.96 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 124.808 1.243 . . . . 0.0 109.926 168.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -75.08 -128.55 0.01 OUTLIER 'Trans proline' 0 CA--C 1.545 1.038 0 C-N-CA 122.698 2.266 . . . . 0.0 108.908 164.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.47 61.06 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.274 1.43 . . . . 0.0 113.825 172.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -17.32 1.22 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 119.471 -2.018 . . . . 0.0 114.608 175.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.17 28.59 3.53 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.176 2.19 . . . . 0.0 112.852 179.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.58 170.76 1.24 Allowed Pre-proline 0 N--CA 1.496 1.869 0 O-C-N 119.103 -2.248 . . . . 0.0 111.145 168.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -56.84 -50.78 10.58 Favored 'Trans proline' 0 C--N 1.347 0.477 0 CA-C-N 122.635 1.977 . . . . 0.0 111.644 167.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.45 77.94 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 4.8 t -96.91 -37.97 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 119.6 1.091 . . . . 0.0 112.783 -176.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -69.75 -49.43 53.2 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.49 1.495 . . . . 0.0 111.461 176.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.14 -50.56 73.06 Favored 'General case' 0 C--N 1.345 0.403 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 10.2 t -48.68 -60.95 2.31 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 118.157 -0.925 . . . . 0.0 112.845 174.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 82.0 mt -65.9 -41.44 91.46 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.786 1.175 . . . . 0.0 112.269 -173.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.97 -50.31 72.61 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.473 1.033 . . . . 0.0 111.963 176.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 127' ' ' LYS . . . . . 0.426 ' HE3' ' OD2' ' C' ' 6' ' ' ASP . 0.0 OUTLIER -71.61 -31.32 66.78 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 178.82 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -60.36 -56.81 16.94 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.744 1.217 . . . . 0.0 109.879 171.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.36 -37.61 81.25 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.702 177.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.44 -38.2 74.04 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 120.58 1.536 . . . . 0.0 114.164 170.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 16.3 m -70.89 -37.14 72.99 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.261 -1.524 . . . . 0.0 112.804 170.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 95.2 t -57.41 -49.4 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 117.116 -1.421 . . . . 0.0 109.578 171.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 133' ' ' SER . . . . . 0.453 ' HB3' ' CG ' ' C' ' 98' ' ' PHE . 1.4 p -60.27 -43.81 95.86 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 121.04 1.745 . . . . 0.0 113.329 174.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 43.2 m -50.72 -48.62 58.83 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.922 1.237 . . . . 0.0 110.917 174.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 63.6 t -78.86 -26.4 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -177.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -3.24 30.37 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 120.342 -1.474 . . . . 0.0 113.279 168.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 82.4 m -123.43 -17.69 6.44 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.366 1.466 . . . . 0.0 112.498 -176.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 35.4 p . . . . . 0 CA--C 1.545 0.76 0 O-C-N 120.828 -1.17 . . . . 0.0 112.648 173.578 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.308 1.4 p . . . . . 0 N--CA 1.515 2.79 0 CA-C-O 117.618 -1.182 . . . . 0.0 112.723 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 36.02 67.31 0.31 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 127.033 2.133 . . . . 0.0 114.66 172.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.23 162.39 4.6 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.375 0.67 . . . . 0.0 112.496 -173.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.87 151.22 85.8 Favored Pre-proline 0 N--CA 1.481 1.077 0 CA-C-O 118.545 -0.741 . . . . 0.0 109.582 166.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -52.77 -35.68 70.23 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.729 2.286 . . . . 0.0 114.537 172.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -73.4 -42.54 61.97 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.584 -0.698 . . . . 0.0 112.378 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -63.49 -44.92 92.98 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.431 -0.793 . . . . 0.0 111.541 173.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.78 -51.38 67.62 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.314 1.046 . . . . 0.0 110.665 172.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 40.5 t -51.62 -48.28 63.35 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.582 0.628 . . . . 0.0 111.061 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.26 -56.99 14.88 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 4.0 p -62.86 -49.23 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 120.032 1.287 . . . . 0.0 111.616 -178.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -75.27 -33.28 61.25 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.872 0.76 . . . . 0.0 112.56 -171.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.96 -35.72 78.86 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 120.457 1.48 . . . . 0.0 111.704 172.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -36.37 77.35 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.435 -0.791 . . . . 0.0 111.427 172.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -58.53 -42.81 88.62 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.934 0.894 . . . . 0.0 112.082 167.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.17 -31.71 59.38 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.519 1.533 . . . . 0.0 115.485 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -94.61 -12.55 27.24 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 118.436 1.118 . . . . 0.0 113.503 174.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.418 HG23 HG12 ' D' ' 23' ' ' VAL . 0.4 OUTLIER -63.34 137.54 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 124.172 0.989 . . . . 0.0 111.889 -168.793 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -85.11 83.72 7.94 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 175.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 42.5 t -53.69 -33.59 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 O-C-N 120.803 -1.185 . . . . 0.0 113.304 -169.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -38.79 92.25 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.707 1.603 . . . . 0.0 112.772 174.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -107.22 -40.26 5.46 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.329 0.652 . . . . 0.0 111.576 -166.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . 0.418 HG12 HG23 ' D' ' 18' ' ' VAL . 0.3 OUTLIER -61.24 -33.54 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 119.332 0.969 . . . . 0.0 110.723 162.516 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.16 -48.01 7.17 Favored Glycine 0 C--N 1.343 0.959 0 O-C-N 121.513 -0.742 . . . . 0.0 111.292 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.02 -43.35 95.09 Favored Glycine 0 C--N 1.338 0.669 0 CA-C-N 117.758 0.779 . . . . 0.0 112.564 171.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . 0.575 ' HB2' HH11 ' D' ' 30' ' ' ARG . 4.3 pt-20 -71.76 -43.64 65.41 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-O 116.743 -1.598 . . . . 0.0 112.1 175.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.97 96.14 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 122.588 2.449 . . . . 0.0 112.084 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 31.3 tp -68.17 -45.36 73.68 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.81 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.15 -44.41 93.16 Favored Glycine 0 N--CA 1.466 0.672 0 O-C-N 120.87 -1.143 . . . . 0.0 111.593 171.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 30' ' ' ARG . . . . . 0.584 ' HA ' HG23 ' D' ' 33' ' ' VAL . 0.6 OUTLIER -63.23 -21.8 66.46 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 116.793 -1.575 . . . . 0.0 113.991 177.139 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.64 -55.27 18.4 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 120.882 1.674 . . . . 0.0 110.475 160.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.86 -31.76 72.58 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.494 -0.754 . . . . 0.0 111.993 -172.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 33' ' ' VAL . . . . . 0.584 HG23 ' HA ' ' D' ' 30' ' ' ARG . 12.2 m -68.27 -20.07 25.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 178.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 t -63.36 -4.1 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 CA-C-N 120.761 1.618 . . . . 0.0 112.095 176.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 45.57 45.4 2.31 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 126.187 1.795 . . . . 0.0 111.729 -161.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -76.17 167.5 25.8 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 N-CA-C 109.192 -1.119 . . . . 0.0 109.192 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -51.83 -23.06 4.25 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 168.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 3.2 p -57.56 -23.64 51.74 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 120.723 -1.236 . . . . 0.0 112.538 171.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -55.54 -19.23 9.28 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.796 1.238 . . . . 0.0 113.348 174.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . 0.412 ' HD3' ' CD2' ' D' ' 41' ' ' PHE . 0.0 OUTLIER -51.18 -39.99 57.64 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 121.268 1.849 . . . . 0.0 112.742 167.53 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 41' ' ' PHE . . . . . 0.412 ' CD2' ' HD3' ' D' ' 40' ' ' ARG . 67.3 m-85 -88.95 6.56 38.9 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.436 1.095 . . . . 0.0 113.472 -178.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.14 -27.04 5.16 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 176.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -50.61 -18.17 0.64 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.618 2.767 . . . . 0.0 116.367 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 30.7 p -109.24 -3.03 17.53 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.756 1.623 . . . . 0.0 114.161 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -96.76 -17.17 20.45 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -171.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.16 150.78 0.57 Allowed Glycine 0 CA--C 1.537 1.429 0 CA-C-N 119.329 0.968 . . . . 0.0 114.611 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 12.7 t0 37.51 -82.62 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 128.963 2.905 . . . . 0.0 115.834 -173.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 42.81 -12.25 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.251 1 C-N-CA 132.513 4.325 . . . . 0.0 121.588 176.398 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 21.9 t -57.99 -17.29 16.34 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.21 1.804 . . . . 0.0 114.635 -171.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 50' ' ' THR . . . . . 0.458 ' HG1' ' H ' ' D' ' 53' ' ' ALA . 2.1 p -136.86 166.25 28.78 Favored Pre-proline 0 N--CA 1.471 0.611 0 C-N-CA 126.742 2.017 . . . . 0.0 109.82 -176.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -59.51 -53.53 3.32 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 121.693 1.596 . . . . 0.0 112.37 174.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.49 -35.91 72.95 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.135 0.974 . . . . 0.0 111.769 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 53' ' ' ALA . . . . . 0.458 ' H ' ' HG1' ' D' ' 50' ' ' THR . . . -61.78 -60.04 4.25 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.296 0.638 . . . . 0.0 111.635 170.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 1.5 p -65.43 -35.27 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 120.552 -1.342 . . . . 0.0 113.53 -171.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 5.9 mtt -77.13 -30.61 55.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.555 0.742 . . . . 0.0 112.867 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.61 -24.13 24.35 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.928 0.775 . . . . 0.0 114.277 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 57' ' ' ASN . . . . . 0.46 HD21 HG21 ' D' ' 60' ' ' VAL . 7.6 t30 -62.16 125.86 86.38 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 124.647 1.179 . . . . 0.0 112.769 -174.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.12 -38.27 37.46 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.16 2.574 . . . . 0.0 113.891 -170.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -61.55 -40.23 93.97 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.216 -0.927 . . . . 0.0 112.394 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 60' ' ' VAL . . . . . 0.46 HG21 HD21 ' D' ' 57' ' ' ASN . 99.5 t -63.36 -38.05 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.658 0.783 . . . . 0.0 110.912 172.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -67.94 -47.79 67.71 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 120.14 1.336 . . . . 0.0 111.901 175.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.71 76.52 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.032 0.933 . . . . 0.0 113.326 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -36.58 80.61 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.796 -1.19 . . . . 0.0 111.055 171.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.06 -48.01 64.64 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 126.179 1.847 . . . . 0.0 113.167 169.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -60.66 -34.44 74.31 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 118.461 -0.78 . . . . 0.0 112.638 171.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -68.99 -50.32 50.01 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.375 0.989 . . . . 0.0 113.079 176.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -52.61 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 120.112 1.324 . . . . 0.0 111.118 174.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 tt -72.5 -32.31 66.07 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -177.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.59 -35.89 75.45 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.082 1.325 . . . . 0.0 112.82 170.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.53 -47.21 86.6 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.708 1.254 . . . . 0.0 111.173 166.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . 0.423 ' CE1' HG13 ' D' ' 137' ' ' VAL . 2.0 m-30 -58.98 -34.73 72.16 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 120.459 -1.401 . . . . 0.0 111.645 177.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.77 -44.36 77.66 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.527 1.131 . . . . 0.0 113.593 171.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -34.0 68.4 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.682 0.793 . . . . 0.0 111.456 170.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.25 -63.93 4.6 Favored Glycine 0 C--N 1.338 0.684 0 CA-C-O 118.976 -0.902 . . . . 0.0 111.671 167.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 5.8 mt -51.78 -31.72 28.13 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.018 1.409 . . . . 0.0 114.085 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.22 -25.69 51.92 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.773 1.629 . . . . 0.0 115.13 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -145.94 44.81 1.26 Allowed 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.798 1.639 . . . . 0.0 112.632 -170.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 78' ' ' LEU . . . . . 0.457 HD21 HD23 ' D' ' 81' ' ' LEU . 32.4 mt -57.43 -18.08 16.32 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -178.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -50.47 -40.01 49.64 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.517 1.527 . . . . 0.0 113.791 170.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.0 96.15 2.29 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.032 0.933 . . . . 0.0 112.053 -175.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 81' ' ' LEU . . . . . 0.457 HD23 HD21 ' D' ' 78' ' ' LEU . 28.8 mt -81.27 -45.75 15.79 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -57.0 -23.82 49.03 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 173.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.46 -7.82 64.76 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.504 1.526 . . . . 0.0 115.023 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.65 -19.16 12.59 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 118.937 1.368 . . . . 0.0 112.81 175.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 85' ' ' PHE . . . . . 0.563 ' CE2' HG21 ' D' ' 137' ' ' VAL . 18.6 m-85 -108.44 5.36 25.25 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 177.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.05 -39.45 56.01 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 121.092 1.769 . . . . 0.0 114.97 -173.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 10.1 p -64.69 -35.97 82.77 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.389 1.076 . . . . 0.0 112.981 172.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.88 -41.67 71.03 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 124.533 1.133 . . . . 0.0 110.601 172.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -57.18 -42.23 80.8 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.711 1.141 . . . . 0.0 110.947 172.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -65.91 -44.72 84.39 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.285 -0.884 . . . . 0.0 112.635 172.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 51.3 tp -62.3 -50.76 70.4 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 120.584 -1.322 . . . . 0.0 112.08 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 56.4 m80 -78.99 -8.4 58.88 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -176.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 11.3 t -119.45 -66.04 1.11 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.835 0.743 . . . . 0.0 112.744 176.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.3 -36.08 82.93 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.544 -1.348 . . . . 0.0 114.064 -177.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -94.39 -69.23 0.76 Allowed 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 65.2 mt -77.84 -32.92 52.39 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.335 1.054 . . . . 0.0 112.171 -175.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 52.31 21.57 1.73 Allowed 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -176.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -45.8 127.9 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.94 1.296 . . . . 0.0 111.137 174.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -68.22 132.58 91.66 Favored Pre-proline 0 CA--C 1.548 0.892 0 CA-C-O 118.705 -0.664 . . . . 0.0 111.918 -173.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -48.11 -24.71 5.84 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 124.951 3.767 . . . . 0.0 118.42 -174.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -51.36 -35.52 38.88 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.934 1.243 . . . . 0.0 112.11 171.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -66.6 -35.23 79.68 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.471 1.508 . . . . 0.0 111.277 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -65.29 -46.55 79.96 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.708 0.803 . . . . 0.0 110.814 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 41.0 mtt85 -62.79 -43.69 98.14 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.715 -0.615 . . . . 0.0 111.75 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 19.5 mt -55.1 -49.77 70.88 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.242 172.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.4 -34.0 70.26 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.378 0.671 . . . . 0.0 112.641 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 107' ' ' GLY . . . . . 0.41 ' HA3' HG12 ' D' ' 134' ' ' VAL . . . -68.2 -51.55 32.4 Favored Glycine 0 N--CA 1.466 0.686 0 O-C-N 121.309 -0.869 . . . . 0.0 113.864 169.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -63.88 -33.7 76.3 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 122.069 -0.666 . . . . 0.0 112.661 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 15.8 m -68.03 -42.03 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 117.776 -1.107 . . . . 0.0 112.481 169.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 42.2 tp -59.91 -49.13 78.88 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 121.214 1.825 . . . . 0.0 111.329 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 33.6 m -59.01 -34.86 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 118.629 0.649 . . . . 0.0 111.917 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 8.0 t -64.41 -41.06 96.84 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.648 0.658 . . . . 0.0 112.762 171.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . 0.265 1.5 m -72.46 -38.36 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 120.271 1.396 . . . . 0.0 112.977 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 21.6 mt -56.0 -42.91 77.13 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.386 0.674 . . . . 0.0 110.576 170.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.31 -22.43 64.88 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -76.52 -63.68 1.28 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 121.406 1.912 . . . . 0.0 111.359 168.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -63.31 -23.42 67.41 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.951 0.722 . . . . 0.0 112.951 -168.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -125.71 18.79 7.98 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.117 1.367 . . . . 0.0 112.76 -175.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -47.91 -40.83 20.09 Favored Glycine 0 N--CA 1.48 1.592 0 C-N-CA 125.326 1.441 . . . . 0.0 116.378 -172.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -59.19 -16.88 22.99 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 126.0 1.72 . . . . 0.0 114.834 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -134.17 13.35 3.89 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.371 2.268 . . . . 0.0 111.929 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -95.43 59.42 2.16 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.688 1.195 . . . . 0.0 112.163 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 52.6 p -54.93 157.02 6.1 Favored Pre-proline 0 N--CA 1.478 0.966 0 C-N-CA 125.653 1.581 . . . . 0.0 113.393 -172.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -48.35 -46.95 21.47 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 121.882 1.721 . . . . 0.0 114.903 173.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -59.72 -31.24 93.85 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 122.07 1.847 . . . . 0.0 114.863 172.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.36 -40.54 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 121.212 1.824 . . . . 0.0 112.779 -178.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -58.01 -51.62 68.89 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.98 87.89 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.531 0.733 . . . . 0.0 112.668 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -56.65 -54.24 48.43 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.96 1.304 . . . . 0.0 111.57 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -53.17 -50.67 64.13 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.699 0.681 . . . . 0.0 112.154 170.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -36.52 72.89 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.797 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -69.77 -38.26 76.66 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.714 1.143 . . . . 0.0 112.924 176.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 22.4 t -59.81 -47.34 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-N 119.664 1.12 . . . . 0.0 110.493 167.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 134' ' ' VAL . . . . . 0.41 HG12 ' HA3' ' D' ' 107' ' ' GLY . 65.2 t -78.67 -26.21 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 121.943 -0.473 . . . . 0.0 112.08 -171.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.81 97.5 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 120.143 -1.598 . . . . 0.0 110.596 167.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.7 -47.39 90.51 Favored Glycine 0 CA--C 1.532 1.099 0 CA-C-O 118.98 -0.9 . . . . 0.0 112.956 169.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 137' ' ' VAL . . . . . 0.563 HG21 ' CE2' ' D' ' 85' ' ' PHE . 0.4 OUTLIER -57.08 -45.94 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 119.232 1.516 . . . . 0.0 111.867 174.659 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.44 -43.67 89.71 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 118.707 0.685 . . . . 0.0 111.413 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.3 -39.3 86.48 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.7 0.8 . . . . 0.0 112.754 172.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.55 -42.49 78.32 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.74 -0.6 . . . . 0.0 112.44 175.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 7.0 mt -62.0 -41.24 97.84 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.311 1.414 . . . . 0.0 111.549 172.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.49 -11.51 11.12 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.691 1.196 . . . . 0.0 114.117 171.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -53.6 -35.37 60.79 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 121.403 1.91 . . . . 0.0 114.153 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -76.34 -7.08 54.21 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.83 -21.81 5.47 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 126.546 1.939 . . . . 0.0 113.664 -176.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 . . . . . 0 C--O 1.256 1.43 0 C-N-CA 129.042 2.937 . . . . 0.0 114.778 -174.115 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.277 9.2 p . . . . . 0 N--CA 1.511 2.616 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 47.4 mt -111.02 176.03 5.18 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 120.443 1.474 . . . . 0.0 111.926 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -94.24 163.49 23.12 Favored Pre-proline 0 N--CA 1.479 0.977 0 C-N-CA 125.366 1.466 . . . . 0.0 110.708 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -74.89 -43.0 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 121.943 1.762 . . . . 0.0 113.02 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.11 -45.83 72.61 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.763 -0.586 . . . . 0.0 111.972 -175.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -66.21 -32.96 74.7 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 118.449 -0.786 . . . . 0.0 111.668 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -52.93 -53.09 54.59 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.375 0.989 . . . . 0.0 111.633 170.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.3 m -58.09 -40.6 81.53 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.603 0.761 . . . . 0.0 111.332 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -68.15 -34.55 76.54 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 177.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.77 -50.37 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.411 1.005 . . . . 0.0 110.435 167.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -56.61 -47.12 80.32 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 118.973 0.806 . . . . 0.0 111.615 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.55 -48.11 81.97 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.245 1.018 . . . . 0.0 112.064 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.1 -51.99 61.37 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 175.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 17.6 t-105 -64.9 -25.91 68.09 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.137 -0.977 . . . . 0.0 113.29 -177.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.36 -42.21 93.54 Favored Glycine 0 CA--C 1.538 1.518 0 O-C-N 121.175 -0.953 . . . . 0.0 113.21 166.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -69.16 -31.52 70.23 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.121 0.96 . . . . 0.0 112.223 174.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.401 HG11 ' HB3' ' A' ' 21' ' ' ALA . 86.0 t -68.93 -14.19 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 125.556 1.542 . . . . 0.0 113.397 176.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.52 134.95 4.13 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 124.907 1.241 . . . . 0.0 114.816 176.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 59.62 -32.16 0.05 Allowed 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 128.665 2.786 . . . . 0.0 116.961 -171.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -78.66 -11.08 59.96 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.757 1.223 . . . . 0.0 114.013 173.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -49.84 -48.87 50.79 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.798 1.239 . . . . 0.0 113.504 -175.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.19 -38.16 91.79 Favored Glycine 0 N--CA 1.472 1.044 0 O-C-N 121.785 -0.572 . . . . 0.0 113.901 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -58.82 -45.61 89.57 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.528 1.131 . . . . 0.0 111.202 171.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -64.99 -39.08 92.93 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.361 -0.837 . . . . 0.0 112.682 174.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.63 -47.61 90.08 Favored Glycine 0 CA--C 1.534 1.242 0 CA-C-N 119.049 0.841 . . . . 0.0 112.716 172.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.61 -47.24 87.09 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.87 0.868 . . . . 0.0 111.615 176.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -59.07 -40.45 85.25 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 121.51 -0.744 . . . . 0.0 112.846 171.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.24 93.69 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.596 1.089 . . . . 0.0 112.136 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.9 mt -63.06 -50.49 70.41 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.256 1.023 . . . . 0.0 111.697 172.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.55 -49.02 79.22 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.53 0.732 . . . . 0.0 112.644 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.8 ttm105 -60.39 -41.16 93.26 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.949 1.3 . . . . 0.0 111.287 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 39.2 ttp -60.2 -49.14 78.79 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.351 0.978 . . . . 0.0 112.917 170.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.78 -38.96 76.36 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.974 -0.454 . . . . 0.0 112.144 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.7 mt -75.5 -41.56 54.97 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.715 0.806 . . . . 0.0 112.683 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.0 p -75.14 -22.72 57.96 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -174.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -139.41 73.39 36.43 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.899 1.28 . . . . 0.0 109.914 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -48.9 -27.72 12.01 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 124.84 3.693 . . . . 0.0 115.441 -174.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -35.48 -45.88 0.36 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 128.038 2.535 . . . . 0.0 113.445 166.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.3 p -60.05 -27.37 66.88 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.477 1.511 . . . . 0.0 114.866 -177.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -60.22 -24.51 64.89 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.315 0.962 . . . . 0.0 113.239 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -57.62 -28.18 63.44 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -65.56 -21.88 66.64 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.454 -0.779 . . . . 0.0 112.981 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 t80 33.26 57.09 1.53 Allowed Pre-proline 0 CA--C 1.558 1.262 0 C-N-CA 127.938 2.495 . . . . 0.0 114.147 175.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -81.04 51.56 3.99 Favored 'Trans proline' 0 CA--C 1.549 1.229 0 C-N-CA 124.797 3.664 . . . . 0.0 113.718 -157.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.265 31.2 p80 46.38 31.56 1.31 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 127.107 2.163 . . . . 0.0 114.729 -169.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -90.55 152.39 20.93 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.671 1.188 . . . . 0.0 111.04 168.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -121.08 109.44 15.04 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.149 1.38 . . . . 0.0 108.63 168.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.6 mt -76.96 31.27 0.13 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.1 1.36 . . . . 0.0 112.975 -176.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.8 t -62.38 152.9 32.79 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.302 1.441 . . . . 0.0 112.015 177.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -56.57 116.48 3.14 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.736 0.814 . . . . 0.0 111.421 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.69 12.74 79.53 Favored Glycine 0 CA--C 1.539 1.559 0 CA-C-O 118.83 -0.983 . . . . 0.0 115.397 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.4 t -51.61 116.45 2.11 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.113 1.456 . . . . 0.0 114.071 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.44 -27.04 68.27 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.11 -45.09 87.83 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.934 0.788 . . . . 0.0 111.833 174.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.81 -42.45 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.668 0.787 . . . . 0.0 111.254 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.73 -47.88 81.66 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.178 0.591 . . . . 0.0 111.743 175.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.86 -50.88 59.95 Favored Glycine 0 N--CA 1.468 0.768 0 C-N-CA 124.764 1.173 . . . . 0.0 112.409 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -59.39 -39.49 83.54 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.445 1.122 . . . . 0.0 112.054 174.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.33 -51.81 48.65 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 121.293 -0.879 . . . . 0.0 113.306 168.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -57.3 -41.76 80.46 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.401 1.08 . . . . 0.0 113.013 172.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -63.0 -51.94 64.9 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.948 1.249 . . . . 0.0 112.469 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 77.0 t -56.02 -44.58 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-N 119.361 0.982 . . . . 0.0 110.923 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.448 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -64.59 -46.14 83.98 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 177.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.88 -36.05 83.09 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.163 -0.961 . . . . 0.0 111.875 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.17 -37.92 89.11 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 169.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.97 -42.56 97.22 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 118.958 0.799 . . . . 0.0 112.069 168.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 57.1 m -58.68 -45.59 89.1 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.515 1.507 . . . . 0.0 111.788 172.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -57.96 -42.35 84.8 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.771 1.228 . . . . 0.0 112.497 172.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.93 -53.73 55.08 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.612 0.642 . . . . 0.0 111.328 171.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.9 t -56.7 -39.98 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.174 0.99 . . . . 0.0 111.993 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.06 -18.45 65.35 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -138.93 25.07 2.55 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.053 1.341 . . . . 0.0 112.313 -173.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.3 p -63.15 -23.42 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 -151.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.75 -4.38 57.7 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 174.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -124.02 2.32 8.65 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.769 2.428 . . . . 0.0 112.544 176.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.404 ' HA ' ' HB2' ' A' ' 79' ' ' ALA . 20.1 ptt? -54.67 -22.94 0.82 Allowed Pre-proline 0 CA--C 1.542 0.658 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 175.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -46.52 -23.38 2.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 123.236 2.624 . . . . 0.0 116.276 163.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -103.41 -42.43 5.71 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.611 1.096 . . . . 0.0 112.48 167.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.404 ' HB2' ' HA ' ' A' ' 76' ' ' MET . . . -63.54 -11.05 21.23 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -176.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 88.1 mt -109.35 7.77 25.23 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.042 1.337 . . . . 0.0 113.537 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 94.9 p -56.03 -33.61 65.09 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -175.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.79 -17.54 49.95 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 174.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.2 mt -106.13 -39.44 5.96 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.233 1.013 . . . . 0.0 111.357 -169.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.8 p -55.82 -43.61 77.12 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.936 -0.554 . . . . 0.0 110.283 157.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -56.98 -52.77 63.93 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 171.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.1 pp -60.94 -37.29 81.82 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.987 1.267 . . . . 0.0 112.832 -175.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -72.37 -47.33 50.27 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.592 1.087 . . . . 0.0 111.264 173.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.2 70.43 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -116.02 12.3 15.61 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -173.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -145.17 -28.71 0.46 Allowed 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 116.747 2.129 . . . . 0.0 116.747 176.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 70.0 mt -139.49 -25.88 0.83 Allowed 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 117.061 2.245 . . . . 0.0 117.061 -166.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 27.71 42.78 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 130.392 3.477 . . . . 0.0 117.431 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 76.4 t -69.56 138.89 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 O-C-N 120.948 -1.095 . . . . 0.0 110.522 173.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.85 161.26 78.81 Favored Pre-proline 0 CA--C 1.556 1.208 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.34 -14.67 4.71 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 124.514 3.476 . . . . 0.0 118.761 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.2 p -55.45 -38.5 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 122.079 2.218 . . . . 0.0 112.415 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -65.34 -29.97 70.77 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 133' ' ' SER . 0.0 OUTLIER -59.42 -57.51 12.65 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.828 1.195 . . . . 0.0 109.126 168.525 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -54.2 -48.92 70.46 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.139 0.576 . . . . 0.0 109.971 -172.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 56.9 mt -56.95 -61.11 2.67 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.36 1.064 . . . . 0.0 111.81 175.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -35.68 81.18 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.602 1.092 . . . . 0.0 111.625 -174.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.1 m -65.39 -44.16 88.38 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.818 1.19 . . . . 0.0 113.165 174.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -57.78 -46.8 84.06 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.252 -0.905 . . . . 0.0 110.564 170.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 99.3 m -63.68 -33.77 76.37 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 178.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.3 mt -64.88 -54.17 35.13 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 124.589 1.156 . . . . 0.0 111.067 171.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.4 mt -51.66 -44.02 62.89 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.602 0.761 . . . . 0.0 110.781 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.9 t -53.94 -48.09 63.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.53 1.132 . . . . 0.0 112.639 171.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -40.14 95.6 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.557 1.526 . . . . 0.0 113.457 171.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.8 mt -63.99 -43.98 94.03 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.098 0.863 . . . . 0.0 110.073 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.16 -34.79 46.49 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.175 0.99 . . . . 0.0 113.519 171.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.19 -9.84 59.67 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 -174.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -132.98 -31.13 1.31 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -175.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -72.46 171.47 9.77 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 118.855 0.752 . . . . 0.0 109.808 166.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.43 -158.47 0.01 OUTLIER 'Trans proline' 0 CA--C 1.546 1.091 0 C-N-CA 124.153 3.235 . . . . 0.0 113.241 156.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.7 52.57 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.02 1.728 . . . . 0.0 114.511 173.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -6.29 0.11 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.762 2.425 . . . . 0.0 115.643 -178.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -79.77 14.5 1.7 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.565 1.546 . . . . 0.0 113.871 168.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.5 p -54.16 155.87 6.18 Favored Pre-proline 0 N--CA 1.472 0.664 0 CA-C-N 119.383 0.992 . . . . 0.0 111.189 174.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -52.37 -31.56 47.98 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.478 2.119 . . . . 0.0 115.055 168.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.27 -33.33 65.19 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 175.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.1 t -110.7 -29.03 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 O-C-N 121.081 -1.012 . . . . 0.0 112.746 -166.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.37 -53.09 21.2 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 120.501 -1.374 . . . . 0.0 112.603 177.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.88 91.2 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 118.587 0.63 . . . . 0.0 110.539 172.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.6 t -49.2 -61.59 2.0 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.937 0.895 . . . . 0.0 111.943 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.05 -40.69 87.16 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.752 0.705 . . . . 0.0 112.717 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.66 -52.96 54.58 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.644 1.111 . . . . 0.0 111.984 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER -69.29 -25.42 64.24 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.319 0.648 . . . . 0.0 112.006 178.499 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -64.75 -54.87 24.67 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.912 1.233 . . . . 0.0 112.222 165.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.95 -37.47 82.48 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.894 1.224 . . . . 0.0 112.324 177.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.39 90.94 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 170.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.8 t -63.54 -42.01 98.42 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 120.384 -1.447 . . . . 0.0 112.318 170.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 66.8 t -58.73 -48.98 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 O-C-N 120.984 -1.073 . . . . 0.0 111.183 174.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.409 ' HB3' ' CD1' ' A' ' 98' ' ' PHE . 84.3 p -69.06 -40.62 78.41 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.338 0.972 . . . . 0.0 113.108 177.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.9 m -47.77 -51.15 23.42 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.001 1.32 . . . . 0.0 110.339 167.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 26.8 t -62.78 -44.76 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 O-C-N 121.438 -0.789 . . . . 0.0 111.586 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -13.64 23.79 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 176.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 2.5 t -115.59 -5.01 12.19 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.928 1.291 . . . . 0.0 113.051 175.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 68.7 m . . . . . 0 CA--C 1.547 0.865 0 O-C-N 120.662 -1.274 . . . . 0.0 110.971 149.674 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.339 2.6 p . . . . . 0 N--CA 1.513 2.709 0 CA-C-O 116.83 -1.557 . . . . 0.0 112.713 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 7.7 p80 24.7 71.51 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 127.581 2.352 . . . . 0.0 115.969 176.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.24 156.3 15.74 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.706 0.802 . . . . 0.0 111.64 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.607 ' HG1' ' H ' ' B' ' 7' ' ' GLU . 19.6 p -68.12 160.88 72.46 Favored Pre-proline 0 N--CA 1.479 1.014 0 O-C-N 121.724 -0.61 . . . . 0.0 110.542 163.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.52 -40.24 84.54 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 122.571 2.181 . . . . 0.0 113.673 172.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.66 -40.76 72.81 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.273 0.629 . . . . 0.0 112.196 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.607 ' H ' ' HG1' ' B' ' 4' ' ' THR . 92.5 mt-10 -60.66 -51.3 69.98 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.675 -0.64 . . . . 0.0 111.01 172.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -57.34 -44.37 84.21 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 118.055 -0.974 . . . . 0.0 111.604 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.5 t -55.85 -49.97 71.87 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.651 0.659 . . . . 0.0 111.078 175.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.0 -51.11 71.48 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.442 HG21 ' CZ ' ' B' ' 130' ' ' TYR . 2.8 p -66.37 -50.4 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 119.47 1.032 . . . . 0.0 112.108 177.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 27.1 m -67.92 -37.99 82.36 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 121.418 -0.801 . . . . 0.0 111.426 -170.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.71 94.24 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.255 0.934 . . . . 0.0 112.582 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.25 -40.68 77.73 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.695 -0.628 . . . . 0.0 111.055 175.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -37.38 72.32 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.794 -1.191 . . . . 0.0 112.924 168.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.53 -30.04 70.92 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.797 1.189 . . . . 0.0 114.994 175.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -100.51 -10.54 20.96 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 176.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.47 141.16 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 124.213 1.005 . . . . 0.0 112.424 -176.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -88.87 79.41 7.37 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.049 0.94 . . . . 0.0 109.772 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 89.1 t -48.1 -45.13 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 125.129 1.372 . . . . 0.0 114.616 -166.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.45 -54.62 43.38 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.903 0.881 . . . . 0.0 112.349 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -68.6 -54.91 13.57 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.521 0.728 . . . . 0.0 111.311 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.02 -33.42 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 O-C-N 121.514 -0.741 . . . . 0.0 112.696 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.0 -43.04 50.28 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.566 -0.574 . . . . 0.0 111.811 175.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.78 -45.83 94.91 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-N 118.05 0.925 . . . . 0.0 112.465 173.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -44.9 91.68 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 117.936 0.868 . . . . 0.0 111.028 172.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.22 -51.01 70.75 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 120.144 1.338 . . . . 0.0 112.709 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 tp -68.43 -35.72 78.03 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.569 -0.707 . . . . 0.0 111.825 -178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.25 -54.69 32.63 Favored Glycine 0 C--N 1.338 0.668 0 CA-C-N 119.391 0.996 . . . . 0.0 111.493 170.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.553 ' HA ' HG23 ' B' ' 33' ' ' VAL . 5.0 mtt-85 -45.42 -41.39 9.22 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 125.167 1.387 . . . . 0.0 113.648 175.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 31.7 tp -49.17 -52.76 24.61 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 124.022 0.826 . . . . 0.0 110.797 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.55 -32.73 66.3 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.278 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.553 HG23 ' HA ' ' B' ' 30' ' ' ARG . 0.8 OUTLIER -69.05 -9.1 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 178.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.44 -7.6 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-N 119.613 1.097 . . . . 0.0 112.997 166.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 10.3 t80 51.44 49.75 7.57 Favored Pre-proline 0 CA--C 1.561 1.379 0 O-C-N 120.466 -1.396 . . . . 0.0 113.915 -165.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -84.64 164.88 12.21 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.85 2.367 . . . . 0.0 113.182 -177.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -58.4 -30.24 66.69 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 165.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 64.6 p -56.6 -27.34 57.92 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 120.99 -1.069 . . . . 0.0 113.25 176.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -7.22 20.35 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 178.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -54.15 -24.74 19.12 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 121.463 1.938 . . . . 0.0 114.564 175.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -93.68 4.46 53.9 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 176.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.08 -18.84 1.59 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.83 -30.3 63.63 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.584 1.154 . . . . 0.0 113.629 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 80.8 p -79.69 -12.55 59.8 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -82.95 -15.4 51.44 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 120.992 -1.068 . . . . 0.0 111.873 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.82 25.63 74.11 Favored Glycine 0 N--CA 1.477 1.37 0 C-N-CA 125.397 1.475 . . . . 0.0 116.385 161.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -155.16 -119.33 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.247 1.019 . . . . 0.0 110.91 -164.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . 0.271 0.0 OUTLIER 51.64 3.52 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 130.513 3.525 . . . . 0.0 118.893 166.793 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 59.4 p -64.14 -17.92 63.93 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.345 1.458 . . . . 0.0 114.235 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 23.6 p -138.66 157.35 72.18 Favored Pre-proline 0 N--CA 1.473 0.698 0 C-N-CA 125.173 1.389 . . . . 0.0 111.437 172.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -63.94 -37.57 43.11 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.951 2.434 . . . . 0.0 113.989 177.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -71.33 -26.79 62.98 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.66 -51.57 26.88 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.622 0.769 . . . . 0.0 112.355 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -60.01 -35.6 62.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -171.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 27.3 ttm -83.72 -6.43 59.43 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.98 -20.67 5.19 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 125.14 1.352 . . . . 0.0 114.802 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -51.5 119.34 12.87 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 126.235 1.814 . . . . 0.0 113.067 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -47.09 -40.0 26.21 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 124.307 3.338 . . . . 0.0 115.308 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.88 -38.46 86.35 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.653 1.115 . . . . 0.0 112.556 178.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 85.1 t -69.53 -37.72 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 118.915 0.779 . . . . 0.0 111.253 173.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -61.46 -49.29 77.38 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.395 0.998 . . . . 0.0 112.024 171.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.42 -52.13 62.87 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.663 1.185 . . . . 0.0 112.717 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -34.03 72.27 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 120.89 -1.131 . . . . 0.0 111.324 173.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.12 -47.13 91.18 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.716 1.627 . . . . 0.0 113.957 169.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -57.76 -46.2 84.87 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 118.341 1.07 . . . . 0.0 111.003 169.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.72 -52.58 64.85 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.582 0.753 . . . . 0.0 112.619 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 p -58.31 -45.47 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-N 119.558 1.072 . . . . 0.0 112.019 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 tt -63.76 -40.21 96.14 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.78 -0.575 . . . . 0.0 111.681 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.01 -34.6 72.98 Favored Glycine 0 N--CA 1.473 1.101 0 C-N-CA 125.556 1.55 . . . . 0.0 114.926 177.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.17 -44.67 83.39 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.086 -1.244 . . . . 0.0 111.709 167.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.533 ' CE2' HD21 ' B' ' 110' ' ' LEU . 1.8 m-85 -62.91 -41.49 99.47 Favored 'General case' 0 CA--C 1.553 1.06 0 O-C-N 120.677 -1.265 . . . . 0.0 111.759 178.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.0 p -68.77 -39.04 80.42 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.761 -1.212 . . . . 0.0 113.12 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -58.4 -39.91 80.99 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 119.319 0.963 . . . . 0.0 111.868 169.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.85 -52.39 52.45 Favored Glycine 0 N--CA 1.467 0.744 0 C-N-CA 124.035 0.826 . . . . 0.0 112.132 174.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 32.0 mt -59.31 -8.97 1.92 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -111.74 -6.47 14.31 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.07 1.748 . . . . 0.0 114.262 176.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -138.43 30.02 2.4 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.891 1.677 . . . . 0.0 112.984 -177.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 76.4 mt -56.58 -20.69 22.15 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 -177.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -58.86 -40.75 85.24 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.126 0.97 . . . . 0.0 113.094 175.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -149.02 35.45 0.75 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.807 1.243 . . . . 0.0 113.286 -173.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -48.41 -28.05 3.01 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -54.12 -31.84 53.39 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.698 1.599 . . . . 0.0 113.523 176.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -89.12 -37.15 7.29 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.136 0.874 . . . . 0.0 113.855 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.95 -23.39 67.38 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 118.59 1.195 . . . . 0.0 113.955 -175.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -102.49 4.56 38.78 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -178.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.53 -35.1 52.66 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 120.784 1.629 . . . . 0.0 115.168 -170.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 24.7 p -66.66 -38.04 86.03 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.618 1.167 . . . . 0.0 112.947 173.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 30.0 mt -68.33 -41.46 80.75 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.778 0.831 . . . . 0.0 110.875 171.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -60.1 -38.39 82.82 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.011 0.823 . . . . 0.0 111.786 175.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.83 -49.3 75.46 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.616 -0.677 . . . . 0.0 112.199 171.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 45.8 tp -55.26 -51.18 67.46 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.099 -1.001 . . . . 0.0 111.57 174.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -76.07 -11.26 59.91 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -175.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 49.3 t -107.95 -80.87 0.57 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.326 1.05 . . . . 0.0 110.647 171.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -56.99 -20.69 25.36 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -172.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -116.33 -5.26 11.8 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 176.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 96.1 mt -144.07 -37.07 0.33 Allowed 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 -174.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 40.54 25.77 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.265 2.626 . . . . 0.0 116.129 -172.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 3.7 m -58.44 132.06 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.225 1.01 . . . . 0.0 111.93 -176.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.74 146.59 94.46 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 125.212 1.405 . . . . 0.0 113.499 -168.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -49.97 -36.5 44.28 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.842 3.028 . . . . 0.0 116.691 -175.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.96 -28.27 56.3 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.916 0.886 . . . . 0.0 112.893 174.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -69.38 -42.29 75.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.537 1.135 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -61.22 -47.76 84.6 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 122.883 0.473 . . . . 0.0 110.677 171.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -58.8 -41.27 86.32 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.699 0.8 . . . . 0.0 112.226 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.99 -48.29 82.52 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.37 0.668 . . . . 0.0 112.598 174.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.7 tt -61.98 -37.63 85.53 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.25 0.477 . . . . 0.0 111.162 175.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -50.92 -60.84 6.63 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 124.686 1.136 . . . . 0.0 114.162 167.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -50.12 -51.03 46.43 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.185 0.994 . . . . 0.0 111.595 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 48.6 t -57.07 -52.31 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 123.41 0.684 . . . . 0.0 111.963 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.533 HD21 ' CE2' ' B' ' 71' ' ' PHE . 46.3 tp -58.82 -50.38 74.17 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.812 0.845 . . . . 0.0 111.579 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 15.1 m -64.61 -32.41 57.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 118.628 0.649 . . . . 0.0 111.752 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 34.5 t -70.31 -29.01 65.63 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.458 -0.776 . . . . 0.0 112.485 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 1.1 t -62.63 -36.96 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 O-C-N 120.705 -1.247 . . . . 0.0 111.025 171.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.81 -40.45 88.06 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.408 0.683 . . . . 0.0 110.033 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.27 -29.27 65.68 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 172.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -74.1 -62.89 1.35 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.665 1.12 . . . . 0.0 113.029 168.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -64.54 -24.0 67.46 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -171.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -126.91 36.46 4.45 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.057 1.743 . . . . 0.0 110.737 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.38 -13.63 23.21 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 125.572 1.558 . . . . 0.0 116.215 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -84.91 -7.75 59.04 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.718 1.207 . . . . 0.0 113.425 169.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -130.06 -4.28 4.48 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.379 1.871 . . . . 0.0 113.57 -170.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.39 40.7 0.08 Allowed 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 127.847 2.459 . . . . 0.0 115.713 -173.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 61.1 p -49.57 145.99 7.51 Favored Pre-proline 0 N--CA 1.477 0.894 0 O-C-N 119.776 -1.827 . . . . 0.0 113.149 -172.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_exo -42.63 -44.3 8.58 Favored 'Trans proline' 0 CA--C 1.548 1.189 0 C-N-CA 123.162 2.575 . . . . 0.0 115.84 174.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.24 -27.05 35.25 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.798 1.665 . . . . 0.0 115.381 173.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.91 -46.71 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 122.358 2.345 . . . . 0.0 112.483 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -63.63 -35.68 81.32 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.944 1.247 . . . . 0.0 111.667 174.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.84 95.55 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.972 0.806 . . . . 0.0 112.665 171.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.6 -47.1 87.72 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.326 0.65 . . . . 0.0 111.401 177.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 130' ' ' TYR . . . . . 0.442 ' CZ ' HG21 ' B' ' 11' ' ' VAL . 30.2 m-85 -53.86 -55.47 26.46 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 122.458 0.303 . . . . 0.0 111.747 168.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -56.68 -36.19 69.32 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.807 -1.183 . . . . 0.0 113.233 -176.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -67.48 -38.48 84.47 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 120.189 1.359 . . . . 0.0 114.045 173.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.6 -33.69 50.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 CA-C-N 120.495 1.498 . . . . 0.0 112.429 171.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . 0.446 HG22 ' CE2' ' B' ' 71' ' ' PHE . 47.2 t -68.61 -34.74 66.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-N 119.017 0.826 . . . . 0.0 111.866 175.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.17 -43.48 82.64 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 119.935 -1.728 . . . . 0.0 111.0 167.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.53 -52.58 50.98 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-O 119.636 -0.536 . . . . 0.0 113.222 170.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -42.91 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 118.378 1.089 . . . . 0.0 111.835 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.25 -47.43 79.67 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.883 0.873 . . . . 0.0 111.921 177.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -62.08 -36.3 81.26 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.3 -44.01 80.3 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.641 0.655 . . . . 0.0 112.441 174.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.49 -39.38 93.3 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.055 1.298 . . . . 0.0 111.896 172.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.97 -4.67 13.89 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 173.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -57.45 -37.82 73.46 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.126 -1.609 . . . . 0.0 113.557 -176.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -74.27 -4.07 33.91 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 174.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.554 1.12 0 C-N-CA 126.746 2.019 . . . . 0.0 113.255 -175.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.274 9.4 p . . . . . 0 N--CA 1.511 2.609 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 47.7 mt -110.89 176.06 5.18 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 120.502 1.501 . . . . 0.0 111.999 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 59.6 p -93.92 163.6 23.3 Favored Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 125.296 1.439 . . . . 0.0 110.726 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.84 -43.1 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.036 1.824 . . . . 0.0 112.948 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.03 -45.67 73.33 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.781 -0.575 . . . . 0.0 112.096 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -66.44 -33.01 74.75 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.432 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -52.83 -53.01 54.86 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 119.408 1.003 . . . . 0.0 111.619 170.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 88.0 m -58.27 -39.94 80.56 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.558 0.743 . . . . 0.0 111.09 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -69.47 -34.09 73.84 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 72.6 t -64.14 -50.09 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 119.317 0.962 . . . . 0.0 110.48 167.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -56.48 -47.19 79.75 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 119.226 0.921 . . . . 0.0 111.742 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.58 -48.0 82.4 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.225 1.01 . . . . 0.0 111.908 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.16 -51.86 61.82 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.959 0.504 . . . . 0.0 112.205 175.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -65.36 -25.41 67.57 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.228 -0.92 . . . . 0.0 113.214 -176.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.77 -42.15 94.33 Favored Glycine 0 CA--C 1.537 1.411 0 O-C-N 121.174 -0.954 . . . . 0.0 113.164 167.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -68.97 -31.62 70.62 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 118.138 0.969 . . . . 0.0 112.288 174.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' VAL . . . . . 0.406 HG11 ' HB2' ' C' ' 21' ' ' ALA . 77.5 t -68.63 -14.53 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.803 1.641 . . . . 0.0 113.509 176.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.45 135.12 4.01 Favored Glycine 0 CA--C 1.542 1.762 0 C-N-CA 124.837 1.208 . . . . 0.0 114.638 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 59.44 -32.0 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 128.641 2.776 . . . . 0.0 116.961 -171.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -78.49 -11.25 59.94 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.068 1.347 . . . . 0.0 114.024 172.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . 0.462 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -49.85 -49.02 50.73 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.793 1.237 . . . . 0.0 113.509 -175.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.19 -37.85 91.57 Favored Glycine 0 N--CA 1.474 1.202 0 O-C-N 121.622 -0.674 . . . . 0.0 113.932 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.92 -45.85 89.36 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.515 1.126 . . . . 0.0 111.418 170.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -64.68 -39.24 93.32 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.187 -0.946 . . . . 0.0 112.841 174.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.78 -47.45 90.91 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-N 118.885 0.766 . . . . 0.0 112.594 172.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.8 -47.09 87.91 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.765 0.826 . . . . 0.0 111.678 176.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -59.13 -40.38 85.3 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 171.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.05 93.23 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.63 1.104 . . . . 0.0 112.364 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.8 -50.87 69.3 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.44 1.096 . . . . 0.0 111.672 172.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -60.54 -48.94 79.54 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.368 0.667 . . . . 0.0 112.462 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 ttm105 -60.22 -41.48 93.16 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.899 1.279 . . . . 0.0 111.157 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 39.3 ttp -60.03 -49.18 78.66 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.358 0.981 . . . . 0.0 112.923 171.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -57.75 -39.0 76.33 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.961 -0.462 . . . . 0.0 112.199 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 76.7 mt -75.48 -41.55 55.18 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.585 0.754 . . . . 0.0 112.684 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 70.4 p -75.0 -22.79 58.31 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -174.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -139.68 73.6 34.53 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 125.01 1.324 . . . . 0.0 109.945 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -49.08 -27.62 12.53 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 124.909 3.739 . . . . 0.0 115.405 -174.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -35.39 -45.89 0.35 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 128.095 2.558 . . . . 0.0 113.382 166.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 77.0 p -60.71 -26.93 67.52 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.433 1.493 . . . . 0.0 114.7 -176.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -60.01 -24.62 64.63 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.273 0.942 . . . . 0.0 113.3 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -57.69 -28.09 63.51 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -65.57 -21.85 66.63 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 t80 33.29 56.93 1.53 Allowed Pre-proline 0 CA--C 1.556 1.198 0 C-N-CA 127.796 2.438 . . . . 0.0 114.249 175.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -81.05 51.61 4.01 Favored 'Trans proline' 0 CA--C 1.548 1.209 0 C-N-CA 124.793 3.662 . . . . 0.0 113.758 -157.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.266 31.3 p80 46.4 31.51 1.3 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 127.07 2.148 . . . . 0.0 114.715 -169.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -90.46 152.27 21.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.644 1.178 . . . . 0.0 111.139 168.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -120.92 109.45 15.12 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.243 1.417 . . . . 0.0 108.681 168.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 69.9 mt -76.76 31.23 0.13 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.973 1.309 . . . . 0.0 113.126 -176.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 14.0 t -62.32 153.04 32.11 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.2 1.4 . . . . 0.0 112.04 177.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -56.76 116.5 3.2 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.763 0.825 . . . . 0.0 111.432 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.82 12.67 79.45 Favored Glycine 0 CA--C 1.538 1.481 0 CA-C-O 118.862 -0.965 . . . . 0.0 115.348 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 47.5 t -51.61 116.45 2.11 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.225 1.512 . . . . 0.0 114.124 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -27.11 68.29 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.258 1.023 . . . . 0.0 113.703 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.18 -45.11 88.1 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 119.016 0.826 . . . . 0.0 111.809 175.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.83 -42.27 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.59 0.756 . . . . 0.0 111.303 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -62.9 -47.81 81.7 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.101 0.56 . . . . 0.0 111.639 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.92 -50.73 61.18 Favored Glycine 0 N--CA 1.467 0.725 0 C-N-CA 124.714 1.149 . . . . 0.0 112.473 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -59.47 -39.62 84.29 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.456 1.128 . . . . 0.0 111.949 174.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.21 -51.83 48.06 Favored Glycine 0 CA--C 1.532 1.126 0 O-C-N 121.347 -0.846 . . . . 0.0 113.323 168.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -57.38 -41.57 80.46 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.3 1.04 . . . . 0.0 113.002 172.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -63.27 -51.86 64.41 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 119.819 1.19 . . . . 0.0 112.409 175.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 77.5 t -55.98 -44.78 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 119.441 1.019 . . . . 0.0 110.934 176.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 63' ' ' ALA . . . . . 0.462 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -64.07 -46.94 82.09 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 176.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.28 -35.9 82.34 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.132 -0.98 . . . . 0.0 111.866 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.4 -38.04 89.62 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 169.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.55 -42.58 98.37 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.12 0.873 . . . . 0.0 112.308 168.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 57.3 m -58.72 -45.71 88.98 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 120.36 1.437 . . . . 0.0 111.677 172.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -58.05 -42.16 84.83 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.813 1.245 . . . . 0.0 112.419 172.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.02 -54.05 51.54 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.564 0.62 . . . . 0.0 111.252 171.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -56.44 -40.11 65.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.17 0.988 . . . . 0.0 111.912 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.1 -18.3 65.26 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -138.97 25.06 2.54 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.935 1.294 . . . . 0.0 112.242 -172.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 1.3 p -63.12 -23.47 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 -151.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.64 -4.35 57.83 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 174.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -124.02 2.45 8.66 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 127.702 2.401 . . . . 0.0 112.63 176.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 20.0 ptt? -54.53 -23.18 0.87 Allowed Pre-proline 0 CA--C 1.544 0.718 0 N-CA-C 116.602 2.075 . . . . 0.0 116.602 175.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -46.36 -23.59 2.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 C-N-CA 123.252 2.635 . . . . 0.0 116.238 163.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -103.27 -42.54 5.71 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.703 1.138 . . . . 0.0 112.44 168.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.42 -11.21 21.35 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 115.818 1.785 . . . . 0.0 115.818 -176.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 88.5 mt -109.38 8.08 25.29 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.884 1.274 . . . . 0.0 113.56 175.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 95.8 p -56.25 -33.58 65.57 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -175.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.59 -17.68 48.06 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 174.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 18.0 mt -105.98 -39.61 5.94 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.366 1.067 . . . . 0.0 111.391 -169.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 2.8 p -55.89 -43.79 77.56 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.989 -0.529 . . . . 0.0 110.091 157.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -56.86 -52.7 64.1 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 171.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 pp -60.91 -37.35 81.96 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.872 1.214 . . . . 0.0 112.767 -175.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -72.43 -47.28 50.26 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.638 1.108 . . . . 0.0 111.179 173.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.84 -32.45 70.68 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -177.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -115.82 12.38 15.85 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -173.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 9.8 ttpp -145.17 -28.79 0.45 Allowed 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 176.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 69.9 mt -139.33 -26.09 0.83 Allowed 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 -166.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 27.91 42.69 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 130.362 3.465 . . . . 0.0 117.37 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.41 138.65 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 O-C-N 121.016 -1.053 . . . . 0.0 110.538 172.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.67 161.21 78.63 Favored Pre-proline 0 CA--C 1.557 1.237 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -53.37 -14.77 4.87 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 124.516 3.477 . . . . 0.0 118.784 -178.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 5.1 p -55.24 -38.5 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 122.126 2.239 . . . . 0.0 112.579 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -65.42 -29.92 70.67 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 175.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . 0.41 ' CD1' ' HB3' ' C' ' 133' ' ' SER . 0.0 OUTLIER -59.53 -57.49 12.74 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 119.774 1.17 . . . . 0.0 109.13 168.514 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -54.04 -49.0 69.95 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.081 0.552 . . . . 0.0 110.075 -172.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 57.5 mt -57.36 -60.51 3.53 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.975 0.91 . . . . 0.0 111.945 175.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.56 -35.37 80.26 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.774 1.17 . . . . 0.0 111.801 -174.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 58.0 m -65.51 -44.23 87.64 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.648 1.113 . . . . 0.0 113.151 174.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 60.0 m170 -57.64 -47.05 83.31 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.285 0.948 . . . . 0.0 110.697 169.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 98.5 m -63.36 -34.04 76.85 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 19.8 mt -65.12 -53.51 44.1 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.54 1.136 . . . . 0.0 111.149 171.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 61.4 mt -51.87 -44.06 63.54 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.287 1.035 . . . . 0.0 110.64 176.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 10.1 t -54.15 -48.23 66.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 124.56 1.144 . . . . 0.0 112.539 171.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -40.68 96.99 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.361 1.437 . . . . 0.0 113.263 172.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.73 -43.74 95.62 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.296 0.953 . . . . 0.0 110.184 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.31 -34.77 48.43 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 171.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.89 -10.03 59.68 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -174.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -132.86 -31.38 1.32 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -174.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.2 mp -72.33 171.12 10.44 Favored Pre-proline 0 CA--C 1.554 1.125 0 CA-C-N 118.758 0.708 . . . . 0.0 109.894 166.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.31 -158.32 0.01 OUTLIER 'Trans proline' 0 CA--C 1.548 1.19 0 C-N-CA 124.145 3.23 . . . . 0.0 113.307 156.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.75 52.17 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.072 1.749 . . . . 0.0 114.716 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.16 -6.51 0.1 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 127.92 2.488 . . . . 0.0 115.626 -178.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -80.07 14.78 1.71 Allowed 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.494 1.518 . . . . 0.0 113.792 168.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 5.6 p -54.44 156.16 6.36 Favored Pre-proline 0 N--CA 1.468 0.474 0 CA-C-N 119.169 0.895 . . . . 0.0 110.991 174.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -52.8 -31.43 51.43 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 122.391 2.061 . . . . 0.0 115.082 168.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.21 -33.38 65.34 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 175.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 47.2 t -110.82 -28.97 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 121.092 -1.005 . . . . 0.0 112.605 -166.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.37 -53.2 20.65 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.662 -1.274 . . . . 0.0 112.532 177.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.83 91.08 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 118.797 0.726 . . . . 0.0 110.648 172.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 7.5 t -49.17 -61.85 1.85 Allowed 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.039 0.936 . . . . 0.0 111.961 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.76 -41.16 88.22 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.754 0.706 . . . . 0.0 112.851 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.0 -53.91 42.58 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.562 1.074 . . . . 0.0 112.007 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . 0.272 0.0 OUTLIER -68.39 -25.55 65.11 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.324 0.65 . . . . 0.0 112.405 177.82 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -64.9 -54.87 23.95 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.868 1.213 . . . . 0.0 112.054 165.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.02 -37.3 82.06 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 120.027 1.285 . . . . 0.0 112.351 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.48 -38.48 91.29 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.471 0.708 . . . . 0.0 112.676 170.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 21.9 t -63.4 -42.14 98.77 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 120.445 -1.409 . . . . 0.0 112.49 169.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.6 -48.93 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 120.909 -1.12 . . . . 0.0 111.307 174.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 133' ' ' SER . . . . . 0.41 ' HB3' ' CD1' ' C' ' 98' ' ' PHE . 84.9 p -68.9 -40.78 78.96 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.275 0.943 . . . . 0.0 113.121 177.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 1.9 m -47.71 -51.3 22.45 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.954 1.302 . . . . 0.0 110.313 167.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 32.9 t -63.31 -42.16 95.36 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 O-C-N 121.406 -0.809 . . . . 0.0 112.917 175.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -13.48 40.08 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 174.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 2.4 t -115.35 -5.01 12.31 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.893 1.277 . . . . 0.0 113.185 175.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 CA--C 1.546 0.799 0 O-C-N 120.606 -1.309 . . . . 0.0 110.962 149.67 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.338 2.6 p . . . . . 0 N--CA 1.514 2.766 0 CA-C-O 116.849 -1.548 . . . . 0.0 112.712 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 7.7 p80 24.84 71.39 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 127.452 2.301 . . . . 0.0 115.983 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.07 156.14 15.58 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.803 0.841 . . . . 0.0 111.697 178.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.603 ' HG1' ' H ' ' D' ' 7' ' ' GLU . 20.0 p -68.01 160.93 71.72 Favored Pre-proline 0 N--CA 1.477 0.905 0 O-C-N 121.692 -0.63 . . . . 0.0 110.607 163.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -54.53 -40.25 84.57 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 122.734 2.289 . . . . 0.0 113.646 172.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.67 -40.89 72.71 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.38 0.672 . . . . 0.0 112.252 178.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 7' ' ' GLU . . . . . 0.603 ' H ' ' HG1' ' D' ' 4' ' ' THR . 92.4 mt-10 -60.42 -51.46 69.38 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.729 -0.607 . . . . 0.0 111.032 171.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -57.17 -44.47 83.55 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.626 177.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 34.5 t -55.77 -50.1 71.34 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 118.532 0.605 . . . . 0.0 110.995 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.77 -51.28 70.67 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 11' ' ' VAL . . . . . 0.441 HG21 ' CZ ' ' D' ' 130' ' ' TYR . 2.6 p -67.73 -47.05 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 119.576 1.08 . . . . 0.0 112.556 178.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 27.6 m -69.83 -38.43 76.53 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 120.319 -1.488 . . . . 0.0 111.281 -171.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.95 -39.07 92.93 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.008 -1.058 . . . . 0.0 112.268 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.67 -40.58 76.33 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.988 -0.445 . . . . 0.0 110.925 175.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -37.27 72.08 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.031 -1.043 . . . . 0.0 112.971 168.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.65 -29.7 70.48 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.673 1.13 . . . . 0.0 114.995 175.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -100.74 -10.61 20.66 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.38 141.21 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.192 0.997 . . . . 0.0 112.496 -176.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -88.97 79.4 7.3 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.06 0.944 . . . . 0.0 109.677 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 88.1 t -48.05 -45.11 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 125.192 1.397 . . . . 0.0 114.604 -166.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -60.53 -54.88 40.16 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.775 0.83 . . . . 0.0 112.249 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -68.12 -55.1 13.63 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.443 0.697 . . . . 0.0 111.339 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 p -64.99 -33.38 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 O-C-N 121.492 -0.755 . . . . 0.0 112.583 -175.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.02 -42.87 50.65 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-N 118.474 0.579 . . . . 0.0 111.763 175.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.93 -45.54 95.45 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-N 118.031 0.916 . . . . 0.0 112.505 173.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -44.74 92.76 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 117.847 0.824 . . . . 0.0 111.027 172.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.91 -51.41 69.4 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 120.044 1.293 . . . . 0.0 112.688 176.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 tp -68.57 -35.44 77.39 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.641 -0.662 . . . . 0.0 111.892 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.23 -54.6 33.34 Favored Glycine 0 N--CA 1.466 0.671 0 CA-C-N 119.463 1.029 . . . . 0.0 111.463 170.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 30' ' ' ARG . . . . . 0.575 ' HA ' HG23 ' D' ' 33' ' ' VAL . 4.7 mtt-85 -44.75 -44.91 9.63 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.642 1.577 . . . . 0.0 112.0 175.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 32.5 tp -46.38 -53.52 10.8 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.91 0.756 . . . . 0.0 110.563 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.21 -32.84 67.12 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.02 0.827 . . . . 0.0 111.002 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 33' ' ' VAL . . . . . 0.575 HG23 ' HA ' ' D' ' 30' ' ' ARG . 0.8 OUTLIER -69.08 -9.03 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 178.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.52 -7.44 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-N 119.543 1.065 . . . . 0.0 112.996 166.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 10.3 t80 51.31 49.73 7.6 Favored Pre-proline 0 CA--C 1.564 1.511 0 O-C-N 120.48 -1.388 . . . . 0.0 113.878 -165.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -84.44 164.83 12.59 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.81 2.34 . . . . 0.0 113.191 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -58.3 -30.22 66.48 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 165.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 59.7 p -56.58 -27.34 57.68 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 120.843 -1.161 . . . . 0.0 113.184 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -6.97 19.44 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 178.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -54.47 -24.59 20.98 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 121.26 1.845 . . . . 0.0 114.649 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -93.63 4.41 53.99 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.748 1.219 . . . . 0.0 114.041 176.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.35 -18.72 1.72 Allowed 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 116.39 1.996 . . . . 0.0 116.39 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -56.61 -30.48 63.3 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.601 1.16 . . . . 0.0 113.743 177.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 81.0 p -79.66 -12.3 59.82 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 175.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -83.14 -15.43 50.73 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 121.106 -0.996 . . . . 0.0 111.795 177.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.88 25.69 74.15 Favored Glycine 0 N--CA 1.476 1.361 0 C-N-CA 125.391 1.472 . . . . 0.0 116.303 161.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -155.22 -119.26 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 124.249 1.02 . . . . 0.0 110.994 -164.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . 0.267 0.0 OUTLIER 51.52 3.59 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 130.717 3.607 . . . . 0.0 118.826 166.769 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 59.6 p -64.09 -17.73 63.7 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.202 1.401 . . . . 0.0 114.38 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 22.8 p -138.76 157.27 72.14 Favored Pre-proline 0 N--CA 1.475 0.78 0 C-N-CA 125.195 1.398 . . . . 0.0 111.332 172.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -63.9 -37.45 44.23 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.922 2.415 . . . . 0.0 114.013 177.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.96 -28.67 64.64 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.29 -51.59 35.75 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.653 0.781 . . . . 0.0 112.378 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.93 -35.57 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -171.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 27.4 ttm -83.9 -6.27 59.39 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.82 -20.81 5.21 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.093 1.33 . . . . 0.0 114.918 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -51.35 119.39 12.66 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 126.304 1.842 . . . . 0.0 113.043 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.16 -39.97 26.7 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 124.248 3.299 . . . . 0.0 115.275 174.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.87 -38.44 86.32 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.671 1.123 . . . . 0.0 112.584 178.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 85.2 t -69.6 -37.69 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 118.78 0.718 . . . . 0.0 111.3 173.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -61.41 -49.49 76.65 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.339 0.972 . . . . 0.0 111.957 171.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.39 -51.88 63.97 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.502 1.121 . . . . 0.0 112.846 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -33.79 72.29 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.685 -1.259 . . . . 0.0 111.444 173.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.29 -47.12 91.47 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.799 1.666 . . . . 0.0 113.941 169.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -57.67 -46.19 84.58 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.366 1.083 . . . . 0.0 111.074 169.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.95 -52.34 65.9 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-O 118.454 -0.784 . . . . 0.0 112.668 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 p -58.12 -46.05 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 119.636 1.107 . . . . 0.0 112.116 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 tt -63.29 -40.1 96.42 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.587 -0.696 . . . . 0.0 111.768 176.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.44 -37.64 82.97 Favored Glycine 0 N--CA 1.47 0.961 0 C-N-CA 125.672 1.606 . . . . 0.0 113.145 177.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.38 -44.22 92.03 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 117.973 0.886 . . . . 0.0 111.898 169.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 71' ' ' PHE . . . . . 0.538 ' CE2' HD21 ' D' ' 110' ' ' LEU . 1.8 m-85 -63.1 -41.24 99.34 Favored 'General case' 0 CA--C 1.551 0.99 0 O-C-N 120.646 -1.284 . . . . 0.0 111.586 178.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 78.6 p -69.39 -37.96 77.77 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.931 -1.106 . . . . 0.0 113.336 174.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -58.43 -40.33 82.26 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.501 1.046 . . . . 0.0 111.552 168.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.95 -52.32 52.96 Favored Glycine 0 C--N 1.339 0.712 0 C-N-CA 124.073 0.844 . . . . 0.0 112.153 174.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 32.2 mt -59.11 -9.25 1.9 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.328 1.451 . . . . 0.0 114.91 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -111.49 -6.72 14.39 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.299 1.839 . . . . 0.0 114.382 176.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -138.34 30.04 2.42 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.702 1.601 . . . . 0.0 112.918 -177.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 75.5 mt -56.67 -20.45 21.61 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -177.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -59.05 -40.63 85.69 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.175 0.99 . . . . 0.0 113.067 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -149.06 35.44 0.75 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 124.753 1.221 . . . . 0.0 113.289 -173.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -48.39 -28.04 2.97 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -54.17 -31.81 53.75 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.64 1.576 . . . . 0.0 113.495 176.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -89.14 -37.06 7.31 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.15 0.881 . . . . 0.0 113.907 176.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.99 -23.47 67.46 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 118.576 1.188 . . . . 0.0 113.988 -175.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -102.41 4.53 38.95 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -177.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.53 -34.96 52.29 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 120.814 1.643 . . . . 0.0 115.23 -170.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 24.6 p -66.79 -38.09 85.86 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.708 1.203 . . . . 0.0 112.924 173.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 29.8 mt -68.31 -41.64 80.58 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.716 0.806 . . . . 0.0 110.918 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 3.5 m -59.72 -38.46 81.74 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.073 0.851 . . . . 0.0 111.906 174.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -62.94 -49.29 75.33 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.638 -0.664 . . . . 0.0 112.144 171.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 45.7 tp -55.26 -51.17 67.52 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.037 -1.04 . . . . 0.0 111.6 174.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -75.94 -11.43 59.96 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -175.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 49.2 t -107.95 -80.73 0.57 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.146 0.978 . . . . 0.0 110.696 171.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -56.95 -20.65 24.85 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 -172.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -116.32 -5.25 11.8 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 175.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 96.2 mt -144.19 -37.1 0.32 Allowed 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 40.67 25.76 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.163 2.585 . . . . 0.0 116.217 -172.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 3.6 m -58.54 132.01 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.235 1.014 . . . . 0.0 111.887 -176.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.56 146.6 93.74 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 125.198 1.399 . . . . 0.0 113.532 -168.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -50.0 -36.53 44.63 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.941 3.094 . . . . 0.0 116.734 -175.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.9 -27.91 54.22 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.986 0.915 . . . . 0.0 113.001 174.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -70.22 -41.97 72.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.302 1.041 . . . . 0.0 110.901 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -61.1 -47.9 84.18 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.172 0.589 . . . . 0.0 110.719 171.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -58.82 -40.82 85.29 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.969 0.908 . . . . 0.0 112.604 178.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.26 -48.42 81.5 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.593 0.757 . . . . 0.0 112.85 173.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.01 -37.83 86.33 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 118.569 0.622 . . . . 0.0 110.869 175.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -51.48 -60.34 7.43 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 125.045 1.307 . . . . 0.0 114.357 167.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -49.62 -51.74 35.41 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.796 1.238 . . . . 0.0 111.923 173.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.42 -53.52 39.47 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.949 0.9 . . . . 0.0 111.591 177.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 110' ' ' LEU . . . . . 0.538 HD21 ' CE2' ' D' ' 71' ' ' PHE . 46.2 tp -58.63 -49.88 75.89 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.09 0.859 . . . . 0.0 111.521 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 m -64.42 -32.47 57.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 C-N-CA 120.053 -0.659 . . . . 0.0 112.367 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 35.3 t -70.24 -28.26 65.11 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.08 -1.013 . . . . 0.0 112.398 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 1.1 t -63.06 -37.27 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 O-C-N 120.753 -1.217 . . . . 0.0 111.346 171.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 mt -65.96 -41.05 91.73 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.939 0.896 . . . . 0.0 110.248 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.1 -29.34 65.39 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 172.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -74.23 -62.93 1.35 Allowed 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.802 1.183 . . . . 0.0 112.869 168.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -64.55 -23.98 67.45 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -171.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -127.14 36.4 4.43 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.002 1.721 . . . . 0.0 110.724 -177.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.28 -13.58 22.21 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 125.539 1.542 . . . . 0.0 116.253 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -84.99 -7.82 58.99 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.625 1.17 . . . . 0.0 113.468 169.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -129.69 -4.72 4.67 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.442 1.897 . . . . 0.0 113.671 -170.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.79 40.65 0.07 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 127.761 2.425 . . . . 0.0 115.935 -173.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 66.6 p -49.99 146.13 8.42 Favored Pre-proline 0 N--CA 1.473 0.682 0 O-C-N 119.719 -1.863 . . . . 0.0 113.179 -172.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -42.57 -44.54 8.45 Favored 'Trans proline' 0 CA--C 1.55 1.276 0 C-N-CA 123.184 2.589 . . . . 0.0 115.859 174.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.05 -26.96 36.52 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 121.709 1.606 . . . . 0.0 115.378 173.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.02 -46.49 78.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 122.364 2.347 . . . . 0.0 112.452 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -63.62 -36.05 82.53 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.177 1.353 . . . . 0.0 111.424 174.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.48 -45.58 93.21 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.989 0.813 . . . . 0.0 112.64 171.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.07 -48.1 82.84 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.908 0.883 . . . . 0.0 111.286 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 130' ' ' TYR . . . . . 0.441 ' CZ ' HG21 ' D' ' 11' ' ' VAL . 29.2 m-85 -54.38 -54.43 40.62 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 122.074 -0.391 . . . . 0.0 111.509 169.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -57.28 -35.85 70.3 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.921 -1.112 . . . . 0.0 113.207 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -67.83 -38.12 82.79 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 120.021 1.282 . . . . 0.0 114.059 173.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 11.0 p -71.74 -33.77 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 120.469 1.486 . . . . 0.0 112.244 171.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 48.6 t -68.69 -34.49 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 119.029 0.831 . . . . 0.0 111.847 174.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.9 -42.97 85.8 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.036 -1.04 . . . . 0.0 111.109 168.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.43 -52.68 50.29 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 123.519 0.58 . . . . 0.0 113.284 170.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.8 -43.15 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 118.416 1.108 . . . . 0.0 111.891 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.81 -47.88 79.08 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.015 0.926 . . . . 0.0 111.747 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -62.13 -36.24 81.19 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.764 -0.585 . . . . 0.0 112.563 174.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.0 -44.26 80.79 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.694 0.679 . . . . 0.0 112.422 174.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 8.3 mt -62.27 -39.69 93.74 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.273 1.397 . . . . 0.0 111.918 172.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.77 -4.64 13.04 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 173.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -57.65 -37.83 74.03 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 120.054 -1.654 . . . . 0.0 113.41 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -74.11 -4.13 33.79 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 174.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.84 -12.3 15.22 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.816 2.047 . . . . 0.0 113.201 -175.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.256 1.447 0 C-N-CA 127.201 2.201 . . . . 0.0 116.535 -173.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.509 2.486 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.8 mt -142.06 -167.41 2.46 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.738 1.615 . . . . 0.0 112.956 -170.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.26 164.0 30.5 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 127.899 2.48 . . . . 0.0 111.03 -178.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.04 -44.25 0.13 Allowed 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.436 2.09 . . . . 0.0 113.269 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.17 72.35 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.597 -0.689 . . . . 0.0 112.453 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.44 -45.52 84.59 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.615 0.643 . . . . 0.0 110.921 176.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -53.81 -49.54 68.12 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.863 0.865 . . . . 0.0 110.766 175.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.2 m -56.04 -45.58 79.17 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.384 0.674 . . . . 0.0 112.127 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -67.41 -35.62 79.65 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.555 -0.716 . . . . 0.0 112.611 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.5 t -65.22 -51.19 68.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 118.628 0.649 . . . . 0.0 111.192 172.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.3 -41.15 83.78 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.189 0.996 . . . . 0.0 111.036 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.7 -53.98 50.87 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.655 0.782 . . . . 0.0 111.841 173.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.46 -54.76 41.93 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.492 0.587 . . . . 0.0 111.352 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -62.14 -26.16 68.15 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.76 -41.36 98.94 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.761 1.172 . . . . 0.0 113.717 172.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -22.1 39.77 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 118.607 1.203 . . . . 0.0 112.867 170.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.7 t -62.18 -44.41 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-O 117.948 -1.025 . . . . 0.0 111.69 168.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 40.38 -128.88 2.96 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 124.976 1.274 . . . . 0.0 115.683 168.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.76 -24.59 67.83 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 121.168 -1.195 . . . . 0.0 114.048 175.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -67.46 -12.79 61.14 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.145 1.378 . . . . 0.0 113.197 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.68 -49.95 18.54 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.644 1.178 . . . . 0.0 114.131 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.09 -39.92 97.64 Favored Glycine 0 CA--C 1.528 0.858 0 CA-C-O 119.531 -0.594 . . . . 0.0 113.605 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -40.7 91.94 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 117.885 0.843 . . . . 0.0 111.522 175.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -66.78 -38.59 86.84 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.269 -0.895 . . . . 0.0 112.124 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.62 -50.55 65.99 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-N 119.011 0.823 . . . . 0.0 112.296 169.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.13 -51.12 69.11 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.998 0.919 . . . . 0.0 112.522 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.04 -43.47 91.66 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 123.193 0.597 . . . . 0.0 112.187 174.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.06 -35.71 77.68 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 118.816 0.735 . . . . 0.0 112.884 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.8 mt -67.28 -53.68 27.65 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.622 0.769 . . . . 0.0 111.72 174.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -55.61 -45.33 77.5 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.951 0.882 . . . . 0.0 112.214 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.457 HH12 ' HB ' ' A' ' 107' ' ' VAL . 10.7 mmm-85 -55.12 -48.29 73.85 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.279 1.432 . . . . 0.0 112.96 170.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.9 tmm? -60.74 -41.8 96.09 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.544 1.065 . . . . 0.0 111.833 176.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -59.14 -43.32 92.03 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 120.226 1.375 . . . . 0.0 113.765 174.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.4 mt -75.61 -46.86 29.24 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.148 0.579 . . . . 0.0 111.437 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 t -86.5 -7.62 58.24 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.006 1.722 . . . . 0.0 114.253 -170.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CG ' HD13 ' A' ' 100' ' ' LEU . 2.0 t80 -144.27 72.15 16.17 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 123.993 0.917 . . . . 0.0 109.879 174.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -44.4 -29.53 3.18 Favored 'Trans proline' 0 C--N 1.359 1.104 1 C-N-CA 125.413 4.075 . . . . 0.0 116.556 -170.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.9 m -45.0 -35.53 2.96 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 125.849 1.659 . . . . 0.0 114.595 170.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 37.5 p -67.26 -26.07 66.38 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 121.225 1.83 . . . . 0.0 113.391 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -62.32 -26.4 68.41 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.627 -1.296 . . . . 0.0 112.446 166.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.421 HG21 ' HB2' ' D' ' 93' ' ' CYS . 0.4 OUTLIER -65.32 -17.33 64.43 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 170.638 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -0.45 6.73 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.767 1.167 . . . . 0.0 114.142 174.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 t80 47.99 59.82 16.21 Favored Pre-proline 0 CA--C 1.554 1.11 0 C-N-CA 125.252 1.421 . . . . 0.0 112.298 -171.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -55.05 133.7 59.6 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.262 1.975 . . . . 0.0 111.29 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -73.81 -11.35 60.35 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 172.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.76 155.51 30.01 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.636 1.974 . . . . 0.0 113.816 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.0 -33.8 17.05 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -176.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.9 mt 45.61 36.29 2.53 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 126.346 1.859 . . . . 0.0 114.246 -173.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.5 t -87.28 29.79 0.83 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.098 1.759 . . . . 0.0 114.229 -169.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.6 t60 61.79 138.04 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 127.65 2.38 . . . . 0.0 114.124 -165.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.93 15.92 58.8 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.698 1.142 . . . . 0.0 115.402 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -53.15 123.16 11.0 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.38 1.872 . . . . 0.0 115.017 -166.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.59 -29.19 64.27 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.087 1.355 . . . . 0.0 114.197 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -76.76 -36.31 57.15 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.529 -0.732 . . . . 0.0 112.788 176.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.9 t -72.65 -39.45 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.215 -0.928 . . . . 0.0 111.485 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -61.92 -39.57 92.5 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 119.664 1.12 . . . . 0.0 112.957 172.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.03 -47.15 39.6 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 124.104 0.859 . . . . 0.0 112.74 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -59.61 -44.38 93.43 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.958 -0.73 . . . . 0.0 111.059 171.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.24 -51.74 40.11 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 124.903 1.24 . . . . 0.0 113.403 173.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -55.71 -40.73 72.83 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 118.976 1.388 . . . . 0.0 112.931 171.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -46.15 69.51 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.536 1.062 . . . . 0.0 113.173 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.0 t -55.96 -46.15 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 124.564 1.145 . . . . 0.0 110.383 171.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.88 -46.77 86.28 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.51 -37.14 86.17 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 119.392 0.996 . . . . 0.0 111.828 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.33 -34.22 77.81 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.178 -0.951 . . . . 0.0 113.531 169.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.33 -44.95 93.46 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 120.176 1.353 . . . . 0.0 112.126 165.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.4 m -54.77 -44.5 73.74 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 120.583 1.538 . . . . 0.0 111.723 170.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -60.42 -40.81 92.39 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.262 1.025 . . . . 0.0 112.176 173.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.6 82.98 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 118.459 0.572 . . . . 0.0 111.237 172.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.0 t -58.74 -44.97 91.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 119.676 1.125 . . . . 0.0 112.029 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.21 -23.12 67.19 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.245 1.418 . . . . 0.0 113.923 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -137.11 34.81 2.56 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 125.266 1.426 . . . . 0.0 111.268 -171.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . 0.255 2.5 p -63.57 -21.79 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 O-C-N 119.359 -2.088 . . . . 0.0 115.459 -159.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -106.0 5.14 30.1 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.848 1.659 . . . . 0.0 113.007 173.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -133.92 -1.86 2.97 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.95 2.5 . . . . 0.0 112.393 -168.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.3 ptt? -73.09 -10.0 0.17 Allowed Pre-proline 0 CA--C 1.546 0.791 0 CA-C-O 114.199 -2.81 . . . . 0.0 118.008 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -38.91 -42.22 1.94 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 123.834 3.023 . . . . 0.0 116.37 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -101.75 -18.4 15.82 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 171.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.0 -23.81 64.14 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 120.529 1.513 . . . . 0.0 114.093 -176.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.7 mt -96.52 7.5 46.37 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.595 0.758 . . . . 0.0 112.121 169.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.4 t -57.97 -39.93 79.4 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.057 1.299 . . . . 0.0 113.115 -174.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.65 -32.9 67.75 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 119.169 0.895 . . . . 0.0 112.6 173.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.506 HD22 HMA1 ' A' ' 201' ' ' HEC . 6.0 mt -80.64 -34.47 34.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.59 1.156 . . . . 0.0 111.551 178.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.0 t -59.6 -51.88 67.91 Favored 'General case' 0 N--CA 1.462 0.143 0 O-C-N 122.226 -0.296 . . . . 0.0 110.986 166.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -56.75 -37.87 71.62 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.433 1.093 . . . . 0.0 111.637 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.03 -71.27 0.09 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 118.045 -0.979 . . . . 0.0 111.431 161.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -19.17 64.03 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.999 1.272 . . . . 0.0 113.697 -165.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.73 -67.96 0.83 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 126.289 1.836 . . . . 0.0 110.349 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -64.87 -15.11 61.51 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -130.7 153.15 49.28 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.446 1.898 . . . . 0.0 110.42 169.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.0 mt 57.51 -17.73 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 117.972 2.582 . . . . 0.0 117.972 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.438 ' HD3' ' HA ' ' D' ' 41' ' ' PHE . 0.0 OUTLIER 52.77 22.29 2.25 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.878 2.471 . . . . 0.0 117.05 -171.453 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.2 t -35.19 105.89 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.435 1.894 . . . . 0.0 112.927 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.66 123.74 75.76 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-O 118.42 -0.8 . . . . 0.0 111.151 -177.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -55.52 -19.86 24.7 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.993 2.462 . . . . 0.0 114.583 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.1 t -57.92 -34.69 49.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 O-C-N 119.803 -1.811 . . . . 0.0 111.034 168.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -57.12 -36.8 71.09 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 120.256 1.389 . . . . 0.0 113.91 172.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 133' ' ' SER . 3.3 t80 -56.62 -45.13 81.66 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -59.18 -34.02 71.63 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.615 -0.678 . . . . 0.0 111.57 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.407 HD13 ' CG ' ' A' ' 36' ' ' PHE . 1.4 mt -69.48 -51.03 39.77 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 124.821 1.249 . . . . 0.0 110.153 -178.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.27 -35.36 78.74 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 117.676 0.217 . . . . 0.0 110.812 176.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.7 m -66.62 -46.54 75.49 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.618 1.167 . . . . 0.0 113.146 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.466 ' CG ' HD22 ' B' ' 108' ' ' ASN . 0.4 OUTLIER -49.4 -49.98 42.47 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.477 0.58 . . . . 0.0 109.781 162.793 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 72.7 m -58.65 -40.08 82.42 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 117.727 -1.13 . . . . 0.0 113.821 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.3 mt -59.62 -58.42 8.67 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 117.522 -1.227 . . . . 0.0 111.674 168.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -45.15 -46.25 11.86 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.537 1.135 . . . . 0.0 110.933 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' B' ' 112' ' ' CYS . 55.4 t -59.15 -52.19 63.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 174.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.7 m -64.23 -36.84 85.39 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 122.015 -0.428 . . . . 0.0 112.138 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.3 mt -60.54 -46.93 88.36 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.336 0.654 . . . . 0.0 109.327 172.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.56 70.51 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.96 -5.07 3.95 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 172.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -134.81 -26.64 1.34 Allowed 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.4 mp -91.84 165.95 19.08 Favored Pre-proline 0 CA--C 1.559 1.293 0 C-N-CA 125.695 1.598 . . . . 0.0 113.294 -177.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.48 -56.97 1.21 Allowed 'Trans proline' 0 C--N 1.361 1.234 0 C-N-CA 124.001 3.134 . . . . 0.0 115.124 -170.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.408 ' C ' ' H ' ' A' ' 117' ' ' PHE . . . -121.67 -50.77 2.07 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.391 1.476 . . . . 0.0 111.115 171.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 64.3 -22.36 0.07 Allowed 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 -171.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.408 ' H ' ' C ' ' A' ' 115' ' ' ALA . 6.6 p90 -98.18 13.77 30.04 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.155 1.782 . . . . 0.0 114.842 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.46 163.86 13.53 Favored Pre-proline 0 N--CA 1.488 1.431 0 CA-C-N 120.445 1.475 . . . . 0.0 110.397 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -56.91 -50.25 12.05 Favored 'Trans proline' 0 C--N 1.348 0.552 0 CA-C-N 121.561 1.593 . . . . 0.0 111.486 169.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.5 86.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.993 0.917 . . . . 0.0 112.185 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.4 t -89.35 -41.47 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 121.297 -0.877 . . . . 0.0 112.564 -177.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -72.46 -50.32 26.97 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 120.202 1.365 . . . . 0.0 112.391 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.99 -45.49 82.95 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 119.456 1.026 . . . . 0.0 110.07 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 31.1 t -56.87 -58.7 7.0 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 174.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 58.8 mt -68.54 -33.32 73.89 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 120.466 1.485 . . . . 0.0 112.493 -174.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -62.08 -49.7 74.88 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 120.22 1.373 . . . . 0.0 112.012 170.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -29.81 57.61 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -178.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -66.02 -55.02 18.77 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 125.313 1.445 . . . . 0.0 109.736 170.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -58.61 -40.81 84.33 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.248 0.931 . . . . 0.0 108.73 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.82 -41.15 67.03 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 119.403 -2.061 . . . . 0.0 114.299 170.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.8 p -72.02 -35.47 69.42 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.946 1.703 . . . . 0.0 113.761 173.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.78 -41.96 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-N 119.814 1.188 . . . . 0.0 109.716 167.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.485 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . 3.6 t -59.39 -58.22 9.57 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.382 1.073 . . . . 0.0 111.771 169.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 55.3 m -49.66 -38.58 33.1 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.722 1.609 . . . . 0.0 112.71 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 77.5 t -83.99 -40.88 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 124.455 1.102 . . . . 0.0 112.155 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -26.28 60.36 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.59 1.541 . . . . 0.0 112.394 164.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.657 ' HG1' ' HD2' ' D' ' 40' ' ' ARG . 4.9 t -105.93 21.37 17.41 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.648 1.579 . . . . 0.0 112.56 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.9 m -56.48 162.16 2.31 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.743 -1.223 . . . . 0.0 112.543 163.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -74.43 -150.38 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 126.134 1.774 . . . . 0.0 110.888 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -52.27 -21.69 3.71 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 173.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 . . . . . 0 C--O 1.253 1.265 0 C-N-CA 128.211 2.604 . . . . 0.0 111.029 176.602 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.306 2.6 p . . . . . 0 N--CA 1.516 2.836 0 CA-C-O 118.021 -0.99 . . . . 0.0 112.728 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 3.3 m80 31.32 63.4 0.22 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 128.109 2.564 . . . . 0.0 115.411 175.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.85 158.45 13.04 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 121.551 -0.718 . . . . 0.0 112.742 -175.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.23 148.74 95.88 Favored Pre-proline 0 N--CA 1.476 0.853 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.17 171.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -49.68 -41.91 44.51 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.5 2.8 . . . . 0.0 116.544 -177.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.54 -41.68 92.8 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.59 1.086 . . . . 0.0 113.152 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.37 -49.4 77.75 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.239 0.615 . . . . 0.0 110.448 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -55.06 -48.65 73.19 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.115 0.966 . . . . 0.0 111.103 175.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.7 t -55.37 -47.93 75.04 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.903 0.774 . . . . 0.0 111.151 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.36 -56.05 27.08 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.578 -0.701 . . . . 0.0 112.862 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.53 HG21 ' CE2' ' B' ' 130' ' ' TYR . 2.6 p -64.56 -42.75 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 120.027 1.285 . . . . 0.0 111.804 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -77.09 -29.82 55.13 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.067 0.849 . . . . 0.0 111.356 -173.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.11 -34.01 65.9 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.417 1.008 . . . . 0.0 112.52 171.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -39.59 93.46 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.189 -0.944 . . . . 0.0 110.516 169.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -56.66 -45.74 81.47 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.442 0.697 . . . . 0.0 112.314 167.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.01 -27.06 43.96 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.855 1.217 . . . . 0.0 115.919 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -102.61 -6.81 22.37 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 118.693 1.246 . . . . 0.0 113.524 173.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.448 HG22 HG13 ' B' ' 23' ' ' VAL . 0.3 OUTLIER -61.87 134.32 27.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 124.108 0.963 . . . . 0.0 111.819 -172.381 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -83.2 81.71 8.58 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 175.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 96.0 t -51.52 -37.58 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -167.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -70.17 -34.06 72.53 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.206 1.402 . . . . 0.0 114.399 174.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -98.75 -43.11 6.91 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.086 -1.009 . . . . 0.0 111.995 -173.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.448 HG13 HG22 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -58.35 -32.77 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 119.272 0.942 . . . . 0.0 110.69 163.352 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.88 -47.85 10.99 Favored Glycine 0 C--N 1.342 0.895 0 CA-C-N 119.566 1.076 . . . . 0.0 111.87 176.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.25 -42.41 55.86 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 117.869 0.835 . . . . 0.0 113.217 169.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.57 -29.69 27.61 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 117.736 -1.126 . . . . 0.0 112.903 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.63 -56.9 13.58 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 121.378 1.899 . . . . 0.0 109.641 168.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.24 -44.17 89.06 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 118.78 -0.628 . . . . 0.0 109.866 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -47.44 -60.23 5.38 Favored Glycine 0 N--CA 1.47 0.927 0 C-N-CA 125.194 1.378 . . . . 0.0 113.954 165.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -47.68 -45.52 28.34 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.486 1.515 . . . . 0.0 112.215 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -56.17 17.79 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.664 0.786 . . . . 0.0 110.663 174.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 92.9 mt -57.49 -36.2 71.21 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.862 0.865 . . . . 0.0 113.097 -174.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 34.6 m -74.34 -10.91 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -69.71 0.28 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 CA-C-N 121.018 1.735 . . . . 0.0 111.7 171.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 50.48 36.36 0.34 Allowed Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 126.089 1.756 . . . . 0.0 114.216 -165.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -77.6 -177.53 3.92 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.115 1.876 . . . . 0.0 110.779 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -48.69 -25.35 1.75 Allowed 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 175.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 81.3 p -67.77 -23.58 65.24 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 120.454 -1.403 . . . . 0.0 113.368 175.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -56.93 -21.59 31.17 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-O 118.326 -0.845 . . . . 0.0 112.715 169.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -58.09 -25.15 60.96 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 121.657 2.026 . . . . 0.0 113.52 171.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . 0.462 ' HA ' ' HD3' ' C' ' 92' ' ' ARG . 0.2 OUTLIER -88.71 5.66 42.25 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 173.468 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -48.82 -30.77 6.12 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 176.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.83 -30.63 71.7 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 57.8 m -80.43 -32.05 37.42 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.22 0.918 . . . . 0.0 111.982 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -68.6 -36.95 79.38 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.393 1.077 . . . . 0.0 111.155 171.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.94 -18.67 4.84 Favored Glycine 0 CA--C 1.539 1.556 0 O-C-N 119.978 -1.701 . . . . 0.0 114.184 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -144.53 125.82 14.75 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.907 1.683 . . . . 0.0 110.018 172.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 tt -165.36 -27.75 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.726 1.21 . . . . 0.0 113.311 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 2.3 m -54.53 -10.18 0.39 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 128.34 2.656 . . . . 0.0 117.099 -171.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.2 p -142.7 165.38 26.96 Favored Pre-proline 0 N--CA 1.476 0.871 0 C-N-CA 127.168 2.187 . . . . 0.0 109.475 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -56.7 -55.31 2.82 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 121.673 1.582 . . . . 0.0 112.168 173.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -61.0 -36.89 80.69 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.057 0.543 . . . . 0.0 111.53 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.22 -56.16 25.42 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.918 0.887 . . . . 0.0 111.855 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -72.79 -41.29 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 120.315 1.416 . . . . 0.0 113.339 -176.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 23.8 mmt -66.66 -33.72 76.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.151 0.58 . . . . 0.0 111.801 -175.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.2 3.99 62.23 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.567 1.079 . . . . 0.0 114.971 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.431 ' OD1' HG21 ' B' ' 60' ' ' VAL . 8.2 t-20 -72.2 114.67 31.39 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-N 119.604 1.702 . . . . 0.0 112.118 -176.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -57.55 -32.47 94.4 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.072 1.848 . . . . 0.0 112.869 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -71.57 -36.68 70.99 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.431 HG21 ' OD1' ' B' ' 57' ' ' ASN . 55.5 t -67.17 -40.9 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-N 120.699 1.59 . . . . 0.0 110.746 170.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -63.3 -51.45 65.99 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.201 0.91 . . . . 0.0 111.169 174.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.13 -48.88 77.59 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.922 1.289 . . . . 0.0 113.226 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -62.52 -40.05 95.52 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.693 -1.254 . . . . 0.0 111.544 174.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.09 -46.07 33.56 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.491 1.52 . . . . 0.0 113.154 166.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -60.02 -41.14 91.52 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.172 0.986 . . . . 0.0 112.221 173.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -68.04 -50.27 56.29 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.155 0.888 . . . . 0.0 112.607 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 3.8 m -59.8 -40.66 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 CA-C-N 118.997 0.817 . . . . 0.0 112.006 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 tt -83.29 -30.81 27.28 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.418 -0.802 . . . . 0.0 112.036 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.57 -44.41 93.87 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 120.511 -1.368 . . . . 0.0 111.735 168.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.71 -45.0 94.79 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.974 -0.721 . . . . 0.0 112.853 169.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.443 ' CE2' ' CE1' ' B' ' 130' ' ' TYR . 88.4 t80 -53.09 -38.38 62.5 Favored 'General case' 0 CA--C 1.55 0.969 0 O-C-N 120.715 -1.24 . . . . 0.0 113.023 171.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 6.0 t -69.29 -38.81 78.48 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.458 1.103 . . . . 0.0 113.376 172.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -56.1 -32.49 64.22 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.815 0.734 . . . . 0.0 111.256 168.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.27 -67.38 2.24 Favored Glycine 0 C--N 1.342 0.868 0 C-N-CA 124.735 1.159 . . . . 0.0 112.299 164.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.05 -21.61 32.74 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.49 -25.62 35.87 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.369 1.468 . . . . 0.0 114.203 171.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -146.04 48.61 1.21 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.688 1.595 . . . . 0.0 111.953 -168.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 97.9 mt -62.36 -19.45 63.39 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 120.201 -1.562 . . . . 0.0 113.52 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -59.79 -15.18 18.52 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 166.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -94.14 -90.71 0.2 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.248 1.019 . . . . 0.0 111.267 176.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 mm? 52.85 18.03 0.98 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -174.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -148.81 -25.55 0.31 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 128.169 2.587 . . . . 0.0 112.924 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -116.72 -41.44 0.72 Allowed Glycine 0 N--CA 1.48 1.626 0 C-N-CA 125.163 1.363 . . . . 0.0 114.652 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.4 p -61.05 -34.1 74.35 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 119.059 1.429 . . . . 0.0 113.326 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -97.53 -7.14 32.03 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 124.102 0.961 . . . . 0.0 113.02 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.33 -40.94 83.43 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 120.92 1.691 . . . . 0.0 114.467 -169.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 12.1 p -60.96 -35.5 76.94 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.044 0.938 . . . . 0.0 112.103 171.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 18.7 mt -70.37 -48.59 55.59 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.251 172.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -55.21 -37.19 66.79 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 121.038 1.744 . . . . 0.0 112.772 176.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.44 -55.84 21.0 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.127 1.771 . . . . 0.0 112.773 168.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 54.8 tp -51.65 -52.49 47.47 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.236 -0.915 . . . . 0.0 110.295 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -74.84 25.5 0.09 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 129.123 2.969 . . . . 0.0 113.569 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . 0.418 ' HB2' HG21 ' C' ' 41' ' ' THR . 5.0 p -152.78 -67.3 0.16 Allowed 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 118.682 -0.675 . . . . 0.0 112.073 154.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -53.27 -20.07 3.85 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.671 2.388 . . . . 0.0 114.908 -177.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -121.15 -22.54 6.05 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.443 1.497 . . . . 0.0 114.34 169.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 17.2 mt -138.35 85.12 2.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.776 2.03 . . . . 0.0 108.085 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -56.99 -27.93 61.96 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -7.25 115.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 129.244 3.018 . . . . 0.0 115.195 169.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.65 140.6 96.49 Favored Pre-proline 0 CA--C 1.545 0.773 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -163.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . 0.42 ' HD3' ' CE2' ' B' ' 145' ' ' TYR . 52.5 Cg_endo -70.68 -12.43 31.14 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.435 2.757 . . . . 0.0 114.295 -174.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -45.08 -39.13 5.57 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.59 1.156 . . . . 0.0 111.906 159.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.05 -39.74 94.74 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.328 1.851 . . . . 0.0 111.55 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . 0.407 ' CD2' ' HA ' ' B' ' 100' ' ' PRO . 6.2 m-30 -68.06 -42.66 80.17 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.661 1.585 . . . . 0.0 111.231 177.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -55.67 -46.7 77.51 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.321 1.049 . . . . 0.0 110.77 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 18.3 mt -63.26 -49.99 71.92 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 117.313 -1.327 . . . . 0.0 112.835 175.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 tt -54.72 -48.58 72.35 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 120.275 1.398 . . . . 0.0 110.402 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.85 -60.18 6.74 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 124.034 0.826 . . . . 0.0 114.298 172.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . 0.466 HD22 ' CG ' ' A' ' 103' ' ' HIS . 27.1 t-20 -53.1 -48.47 67.77 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.824 0.821 . . . . 0.0 111.039 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 2.9 t -58.9 -38.87 75.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 125.282 1.433 . . . . 0.0 113.564 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 51.6 tp -55.94 -51.96 65.82 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.655 -0.688 . . . . 0.0 109.782 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -52.66 -40.18 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 118.551 0.614 . . . . 0.0 111.293 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . 0.576 ' HA ' HG22 ' A' ' 107' ' ' VAL . 11.5 m -61.7 -49.79 75.04 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 178.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 5.1 p -63.96 -36.24 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 119.512 1.051 . . . . 0.0 111.87 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 5.1 mt -58.39 -43.64 88.63 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 119.329 0.968 . . . . 0.0 111.755 174.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -68.98 -27.08 65.39 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -63.18 -56.99 12.09 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 120.172 1.351 . . . . 0.0 110.537 164.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -68.55 -25.81 65.1 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.986 0.915 . . . . 0.0 112.41 -167.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -132.35 41.87 3.17 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.111 1.764 . . . . 0.0 111.104 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -56.76 -17.87 22.71 Favored Glycine 0 N--CA 1.477 1.391 0 C-N-CA 125.757 1.646 . . . . 0.0 117.093 -176.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -84.97 -1.9 57.29 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 118.371 1.086 . . . . 0.0 113.025 173.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -136.03 4.65 3.0 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.923 2.089 . . . . 0.0 112.305 -168.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -78.73 30.56 0.2 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 126.407 1.883 . . . . 0.0 115.786 -166.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.557 ' HG1' ' H ' ' B' ' 126' ' ' VAL . 7.5 p -40.0 148.26 0.32 Allowed Pre-proline 0 N--CA 1.487 1.387 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 -163.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -44.15 -45.96 11.65 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.683 2.255 . . . . 0.0 115.645 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.12 -29.26 6.67 Favored 'Trans proline' 0 C--N 1.354 0.853 0 CA-C-O 116.06 -1.725 . . . . 0.0 114.435 173.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . 0.557 ' H ' ' HG1' ' B' ' 123' ' ' THR . 1.0 OUTLIER -63.65 -37.77 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 CA-C-N 123.66 2.936 . . . . 0.0 112.525 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -69.19 -44.67 71.68 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.372 0.669 . . . . 0.0 111.732 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.46 93.79 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 170.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.73 -49.08 78.92 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.353 1.061 . . . . 0.0 110.034 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.53 ' CE2' HG21 ' B' ' 11' ' ' VAL . 0.3 OUTLIER -49.76 -54.69 17.51 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.916 0.886 . . . . 0.0 111.833 166.518 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.07 -37.51 71.94 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 118.247 -0.883 . . . . 0.0 112.824 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -62.88 -45.43 92.57 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 121.005 1.729 . . . . 0.0 112.516 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.67 -44.85 99.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 CA-C-N 118.786 0.721 . . . . 0.0 110.622 173.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.54 -47.65 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 125.628 1.571 . . . . 0.0 112.74 -177.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.55 91.24 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.605 1.162 . . . . 0.0 110.3 176.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.8 -53.77 28.21 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.977 162.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -45.59 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 119.268 1.534 . . . . 0.0 112.747 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.38 -45.18 85.09 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.657 -0.652 . . . . 0.0 111.198 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -61.64 -36.35 80.52 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.958 0.903 . . . . 0.0 112.293 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.12 -49.75 63.84 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.983 0.913 . . . . 0.0 111.406 176.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.58 -37.12 82.7 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.524 1.056 . . . . 0.0 111.601 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.64 -6.69 45.99 Favored 'General case' 0 CA--C 1.553 1.077 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 173.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -56.11 -42.35 76.67 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 119.832 -1.792 . . . . 0.0 112.7 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -63.46 -2.4 1.55 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.978 2.111 . . . . 0.0 114.718 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' TYR . . . . . 0.42 ' CE2' ' HD3' ' B' ' 100' ' ' PRO . 1.3 m-85 -99.84 6.79 45.31 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 127.457 2.303 . . . . 0.0 111.686 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.318 0 C-N-CA 127.662 2.385 . . . . 0.0 114.486 163.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.507 2.398 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 39.3 mt -142.08 -167.29 2.43 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.598 1.559 . . . . 0.0 112.803 -170.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.36 164.05 30.4 Favored Pre-proline 0 N--CA 1.476 0.834 0 C-N-CA 127.874 2.469 . . . . 0.0 111.007 -178.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.1 -44.27 0.13 Allowed 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.397 2.065 . . . . 0.0 113.152 -176.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.15 -31.99 71.95 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.586 -0.696 . . . . 0.0 112.371 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.54 -45.54 84.95 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.745 0.702 . . . . 0.0 110.93 176.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -53.73 -49.56 67.87 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.96 0.904 . . . . 0.0 110.699 175.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 53.4 m -55.98 -45.72 78.89 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.398 0.679 . . . . 0.0 112.059 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -67.46 -35.59 79.48 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.616 -0.677 . . . . 0.0 112.488 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 91.9 t -65.24 -51.16 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 118.645 0.657 . . . . 0.0 111.146 172.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.42 -41.14 84.36 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.159 0.984 . . . . 0.0 111.0 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.56 -53.94 51.46 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.49 0.716 . . . . 0.0 111.959 173.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.58 -54.64 43.55 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.466 0.575 . . . . 0.0 111.298 176.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -62.25 -26.2 68.25 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.53 -41.46 99.2 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.784 1.183 . . . . 0.0 113.785 172.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -22.11 39.87 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 118.631 1.216 . . . . 0.0 112.796 170.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.28 -44.25 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 117.962 -1.018 . . . . 0.0 111.717 168.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 40.29 -128.78 2.89 Favored Glycine 0 CA--C 1.541 1.697 0 C-N-CA 125.179 1.371 . . . . 0.0 115.551 168.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.85 -24.61 67.82 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.236 -1.155 . . . . 0.0 114.018 175.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -67.45 -12.63 60.75 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.129 1.371 . . . . 0.0 113.265 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.66 -50.05 18.31 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.702 1.201 . . . . 0.0 114.106 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.16 -39.85 97.5 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-O 119.404 -0.664 . . . . 0.0 113.471 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.92 -40.76 91.75 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.032 0.916 . . . . 0.0 111.42 175.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -66.7 -38.67 87.21 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.212 -0.93 . . . . 0.0 112.1 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.62 -50.48 66.67 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-N 119.02 0.827 . . . . 0.0 112.279 169.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.01 -51.39 67.94 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.109 0.964 . . . . 0.0 112.511 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.84 -43.61 90.77 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.339 0.656 . . . . 0.0 112.128 174.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.7 77.71 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 118.822 0.737 . . . . 0.0 112.831 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 mt -67.25 -53.61 28.42 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.619 0.768 . . . . 0.0 111.742 174.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -55.63 -45.39 77.59 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.919 0.866 . . . . 0.0 112.2 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . 0.466 HH12 ' HB ' ' C' ' 107' ' ' VAL . 10.7 mmm-85 -55.01 -48.35 73.48 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.261 1.425 . . . . 0.0 112.927 170.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 3.8 tmm? -60.85 -41.49 95.94 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.67 1.123 . . . . 0.0 111.85 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -59.38 -43.24 92.93 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.245 1.384 . . . . 0.0 113.71 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 30.5 mt -75.71 -46.89 28.59 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.113 0.565 . . . . 0.0 111.299 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 2.9 t -86.35 -7.77 58.21 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.02 1.728 . . . . 0.0 114.202 -170.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' PHE . . . . . 0.405 ' CG ' HD12 ' C' ' 100' ' ' LEU . 2.0 t80 -144.24 72.19 16.22 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 123.978 0.911 . . . . 0.0 109.876 174.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -44.25 -29.82 3.19 Favored 'Trans proline' 0 C--N 1.357 0.999 1 C-N-CA 125.488 4.125 . . . . 0.0 116.473 -170.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 2.8 m -44.88 -35.56 2.87 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 125.878 1.671 . . . . 0.0 114.588 170.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 38.5 p -67.16 -26.07 66.47 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 121.259 1.845 . . . . 0.0 113.417 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -62.38 -26.42 68.46 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.524 -1.36 . . . . 0.0 112.43 167.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' THR . . . . . 0.418 HG21 ' HB2' ' B' ' 93' ' ' CYS . 0.4 OUTLIER -65.26 -17.3 64.39 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 170.589 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -0.62 6.89 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 174.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 t80 48.12 59.82 16.26 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 125.219 1.408 . . . . 0.0 112.266 -171.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -55.02 133.64 59.26 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.145 1.896 . . . . 0.0 111.425 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -73.8 -11.24 60.32 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 172.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.9 155.54 30.41 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.682 1.993 . . . . 0.0 113.812 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.04 -33.67 17.06 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -176.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 35.3 mt 45.52 36.3 2.44 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 126.422 1.889 . . . . 0.0 114.159 -173.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 2.5 t -87.09 29.76 0.81 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.104 1.762 . . . . 0.0 114.261 -169.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 22.8 t60 61.99 137.92 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 127.583 2.353 . . . . 0.0 114.034 -166.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.98 15.95 58.96 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 124.628 1.109 . . . . 0.0 115.356 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 49.3 m -53.12 123.19 11.05 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.323 1.849 . . . . 0.0 115.013 -166.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.59 -29.22 64.3 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.106 1.363 . . . . 0.0 114.168 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -76.72 -36.39 57.2 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.59 -0.693 . . . . 0.0 112.772 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 39.8 t -72.72 -39.4 60.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 O-C-N 121.073 -1.017 . . . . 0.0 111.542 -178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -61.95 -39.57 92.56 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 119.7 1.136 . . . . 0.0 112.909 172.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.92 -47.18 40.33 Favored Glycine 0 N--CA 1.472 1.05 0 C-N-CA 124.107 0.86 . . . . 0.0 112.851 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -59.66 -44.27 93.62 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.97 -0.723 . . . . 0.0 111.041 171.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.28 -51.81 39.96 Favored Glycine 0 C--N 1.34 0.801 0 C-N-CA 124.992 1.282 . . . . 0.0 113.331 173.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -55.72 -40.73 72.86 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.069 1.434 . . . . 0.0 113.049 171.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -46.1 69.85 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.505 1.048 . . . . 0.0 113.197 178.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 88.4 t -56.04 -46.13 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.669 1.188 . . . . 0.0 110.346 171.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.81 -46.86 86.01 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 177.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -63.62 -36.93 85.43 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.31 0.959 . . . . 0.0 111.866 175.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.44 -34.23 77.8 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 169.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.31 -45.02 93.28 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 120.103 1.32 . . . . 0.0 112.112 165.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 61.3 m -54.65 -44.65 73.42 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 120.659 1.572 . . . . 0.0 111.685 170.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -60.15 -40.99 91.8 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.295 1.038 . . . . 0.0 112.298 173.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.49 83.46 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 118.95 -0.547 . . . . 0.0 111.248 172.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 86.0 t -58.86 -44.93 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.743 1.156 . . . . 0.0 112.015 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.07 -23.2 67.24 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.166 1.387 . . . . 0.0 113.991 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -137.06 34.73 2.58 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 125.198 1.399 . . . . 0.0 111.285 -171.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 2.6 p -63.58 -21.57 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 O-C-N 119.489 -2.007 . . . . 0.0 115.458 -159.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -106.09 5.21 29.96 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 125.763 1.625 . . . . 0.0 112.987 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -133.84 -2.08 2.98 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 128.004 2.521 . . . . 0.0 112.413 -168.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 15.2 ptt? -73.02 -9.95 0.16 Allowed Pre-proline 0 CA--C 1.545 0.77 0 CA-C-O 114.176 -2.821 . . . . 0.0 118.029 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -38.88 -42.28 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 C-N-CA 123.898 3.066 . . . . 0.0 116.34 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -101.81 -18.3 15.82 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 171.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.93 -23.99 64.23 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 120.603 1.547 . . . . 0.0 114.134 -176.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 39.5 mt -96.4 7.47 46.4 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.561 0.744 . . . . 0.0 112.154 169.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 35.2 t -57.85 -40.09 79.28 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 120.061 1.301 . . . . 0.0 113.095 -174.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.45 -33.06 67.55 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.192 -0.942 . . . . 0.0 112.621 173.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 83' ' ' LEU . . . . . 0.517 HD22 HMA1 ' C' ' 201' ' ' HEC . 6.0 mt -80.51 -34.54 35.57 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.496 1.118 . . . . 0.0 111.531 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 40.1 t -59.57 -51.66 68.89 Favored 'General case' 0 C--N 1.34 0.167 0 O-C-N 122.051 -0.406 . . . . 0.0 111.104 166.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.08 -37.68 72.22 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.472 1.109 . . . . 0.0 111.6 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.01 -71.41 0.09 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 118.017 -0.992 . . . . 0.0 111.314 161.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -19.19 63.92 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 120.017 1.281 . . . . 0.0 113.676 -165.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.84 -67.83 0.84 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.3 1.84 . . . . 0.0 110.312 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -64.84 -15.13 61.44 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -175.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -130.72 153.1 49.35 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.615 1.966 . . . . 0.0 110.442 169.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 21.8 mt 57.37 -17.54 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 118.057 2.614 . . . . 0.0 118.057 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . 0.462 ' HD3' ' HA ' ' B' ' 41' ' ' PHE . 0.0 OUTLIER 52.64 22.34 2.19 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 127.864 2.466 . . . . 0.0 117.058 -171.543 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 5.2 t -35.21 106.04 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.52 1.928 . . . . 0.0 112.748 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.88 123.84 76.91 Favored Pre-proline 0 CA--C 1.544 0.744 0 CA-C-O 118.455 -0.783 . . . . 0.0 111.06 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -55.54 -19.84 24.76 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.861 2.374 . . . . 0.0 114.551 175.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 74.6 t -57.91 -34.64 49.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 119.721 -1.862 . . . . 0.0 111.018 169.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -57.13 -36.72 71.04 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 120.298 1.408 . . . . 0.0 113.943 172.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . 0.477 ' CD1' ' HB2' ' C' ' 133' ' ' SER . 3.3 t80 -56.72 -45.03 82.13 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -59.31 -33.86 71.62 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.488 -0.758 . . . . 0.0 111.554 -176.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 100' ' ' LEU . . . . . 0.405 HD12 ' CG ' ' C' ' 36' ' ' PHE . 1.4 mt -69.61 -51.14 37.77 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 124.898 1.279 . . . . 0.0 110.069 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.29 -35.39 78.87 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 117.805 0.275 . . . . 0.0 110.756 176.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 66.4 m -66.53 -46.5 75.95 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.432 1.093 . . . . 0.0 113.254 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 103' ' ' HIS . . . . . 0.459 ' CG ' HD22 ' D' ' 108' ' ' ASN . 0.4 OUTLIER -49.25 -49.92 41.12 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.637 0.653 . . . . 0.0 109.857 162.708 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 73.9 m -58.8 -40.11 83.11 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 117.698 -1.144 . . . . 0.0 113.819 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 60.6 mt -59.48 -58.54 8.14 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 117.397 -1.287 . . . . 0.0 111.683 168.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 mt -45.07 -46.3 11.48 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.395 1.078 . . . . 0.0 110.957 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . 0.568 HG22 ' HA ' ' D' ' 112' ' ' CYS . 55.1 t -58.95 -52.44 60.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 174.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 87.1 m -63.97 -37.04 85.97 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.966 -0.459 . . . . 0.0 112.213 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 mt -60.42 -46.86 88.49 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.411 0.684 . . . . 0.0 109.36 172.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.52 70.68 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 177.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.75 -5.3 3.98 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 172.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -134.72 -26.67 1.36 Allowed 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 -176.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.4 mp -91.97 165.87 19.12 Favored Pre-proline 0 CA--C 1.556 1.205 0 C-N-CA 125.66 1.584 . . . . 0.0 113.339 -177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -58.4 -56.66 1.41 Allowed 'Trans proline' 0 C--N 1.363 1.307 0 C-N-CA 123.937 3.091 . . . . 0.0 115.24 -170.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . 0.405 ' C ' ' H ' ' C' ' 117' ' ' PHE . . . -121.94 -50.95 2.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.338 1.455 . . . . 0.0 111.007 171.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 64.38 -22.31 0.07 Allowed 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -171.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' PHE . . . . . 0.405 ' H ' ' C ' ' C' ' 115' ' ' ALA . 6.7 p90 -98.26 13.71 30.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.188 1.795 . . . . 0.0 114.89 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.5 163.87 13.61 Favored Pre-proline 0 N--CA 1.487 1.41 0 CA-C-N 120.349 1.431 . . . . 0.0 110.279 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -56.89 -50.17 12.32 Favored 'Trans proline' 0 C--N 1.351 0.695 0 CA-C-N 121.589 1.603 . . . . 0.0 111.592 169.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.6 87.09 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.018 0.927 . . . . 0.0 112.06 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 39.1 t -89.27 -41.42 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.273 -0.892 . . . . 0.0 112.581 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -72.38 -50.53 25.93 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.23 1.377 . . . . 0.0 112.282 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.34 83.41 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.319 0.963 . . . . 0.0 110.001 175.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 30.9 t -56.94 -58.68 7.12 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-O 118.4 -0.81 . . . . 0.0 113.181 174.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 59.0 mt -68.53 -33.3 73.88 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 120.483 1.492 . . . . 0.0 112.497 -174.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.17 -49.65 74.98 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 120.164 1.347 . . . . 0.0 112.051 170.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.14 -29.97 58.0 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -178.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -65.93 -54.94 19.95 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 125.19 1.396 . . . . 0.0 109.892 170.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -58.74 -40.75 84.73 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.214 0.915 . . . . 0.0 108.734 175.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.64 -41.34 66.66 Favored 'General case' 0 CA--C 1.55 0.978 0 O-C-N 119.391 -2.068 . . . . 0.0 114.23 170.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 28.4 p -71.87 -35.78 69.9 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 120.929 1.695 . . . . 0.0 113.672 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 56.3 t -56.7 -41.93 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 119.823 1.192 . . . . 0.0 109.627 167.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 133' ' ' SER . . . . . 0.477 ' HB2' ' CD1' ' C' ' 98' ' ' PHE . 3.6 t -59.33 -58.42 8.71 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.587 1.155 . . . . 0.0 111.671 169.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 55.3 m -49.65 -38.56 32.81 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.732 1.613 . . . . 0.0 112.612 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 76.4 t -83.93 -40.88 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 124.491 1.116 . . . . 0.0 112.303 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -26.35 60.48 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.533 1.515 . . . . 0.0 112.244 164.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 4.9 t -105.9 21.39 17.38 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.717 1.607 . . . . 0.0 112.591 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 27.1 m -56.41 162.18 2.26 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.75 -1.219 . . . . 0.0 112.483 163.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -74.41 -150.49 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 126.171 1.788 . . . . 0.0 110.828 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -52.17 -21.82 3.69 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 173.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 128.302 2.641 . . . . 0.0 111.007 176.653 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.303 2.6 p . . . . . 0 N--CA 1.519 2.985 0 CA-C-O 117.985 -1.007 . . . . 0.0 112.711 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 3.3 m80 31.35 63.31 0.22 Allowed 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 128.082 2.553 . . . . 0.0 115.375 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 158.38 13.04 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 121.567 -0.708 . . . . 0.0 112.78 -175.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.36 148.62 95.62 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.121 171.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -49.54 -41.87 43.5 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 123.399 2.733 . . . . 0.0 116.625 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.6 -41.73 92.44 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.714 1.143 . . . . 0.0 113.152 174.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.21 -49.59 77.03 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.408 0.683 . . . . 0.0 110.385 172.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -54.78 -48.9 72.12 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.063 0.945 . . . . 0.0 111.176 175.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -55.13 -48.05 74.19 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.935 0.789 . . . . 0.0 111.202 175.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.29 -56.04 27.25 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.451 -0.78 . . . . 0.0 112.93 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' VAL . . . . . 0.532 HG21 ' CE2' ' D' ' 130' ' ' TYR . 2.6 p -64.61 -42.66 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 119.973 1.26 . . . . 0.0 111.812 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -77.29 -29.75 53.93 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.016 0.825 . . . . 0.0 111.251 -173.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.17 -33.91 65.71 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.548 1.067 . . . . 0.0 112.439 171.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -39.19 92.23 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.167 -0.958 . . . . 0.0 110.664 169.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -56.81 -45.65 82.12 Favored 'General case' 0 C--O 1.21 -0.978 0 C-N-CA 123.489 0.715 . . . . 0.0 112.52 166.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.83 -27.37 43.66 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 124.829 1.204 . . . . 0.0 115.949 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -102.45 -6.97 22.34 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.671 1.236 . . . . 0.0 113.553 173.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.444 HG22 HG12 ' D' ' 23' ' ' VAL . 0.3 OUTLIER -61.75 134.17 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 124.174 0.989 . . . . 0.0 111.852 -172.393 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -83.11 81.71 8.57 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 96.3 t -51.5 -37.56 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 119.766 1.166 . . . . 0.0 114.087 -167.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -70.27 -34.11 72.41 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.07 1.348 . . . . 0.0 114.347 174.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -98.61 -43.01 7.0 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.135 -0.978 . . . . 0.0 112.223 -173.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . 0.444 HG12 HG22 ' D' ' 18' ' ' VAL . 0.3 OUTLIER -58.44 -32.83 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 121.241 -0.912 . . . . 0.0 110.755 163.223 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.71 -48.11 10.88 Favored Glycine 0 C--N 1.344 1.006 0 CA-C-N 119.585 1.084 . . . . 0.0 111.857 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.01 -42.57 54.54 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 117.899 0.849 . . . . 0.0 113.127 169.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.54 -29.44 27.87 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-O 117.783 -1.103 . . . . 0.0 112.839 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.93 -56.8 14.01 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 121.401 1.909 . . . . 0.0 109.355 168.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.42 -44.09 88.49 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 118.813 -0.613 . . . . 0.0 109.808 -176.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -47.53 -60.17 5.47 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 125.055 1.312 . . . . 0.0 113.965 165.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -47.7 -45.45 28.5 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.496 1.518 . . . . 0.0 112.146 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -56.14 17.57 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.724 0.809 . . . . 0.0 110.579 174.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 93.4 mt -57.52 -36.04 71.06 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -175.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 34.6 m -74.3 -10.89 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 116.172 1.916 . . . . 0.0 116.172 -177.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.66 0.22 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 120.953 1.706 . . . . 0.0 111.72 171.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 50.56 36.29 0.34 Allowed Pre-proline 0 CA--C 1.556 1.175 0 C-N-CA 125.976 1.71 . . . . 0.0 114.291 -165.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -77.51 -177.63 3.99 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.184 1.923 . . . . 0.0 110.862 -176.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -48.7 -25.32 1.74 Allowed 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 175.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 81.0 p -67.66 -23.51 65.33 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 120.443 -1.41 . . . . 0.0 113.324 175.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -56.76 -21.57 29.34 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 118.279 -0.867 . . . . 0.0 112.911 169.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . 0.657 ' HD2' ' HG1' ' A' ' 137' ' ' THR . 15.2 mmp_? -58.17 -25.34 61.41 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.631 2.014 . . . . 0.0 113.649 171.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' PHE . . . . . 0.438 ' HA ' ' HD3' ' A' ' 92' ' ' ARG . 0.2 OUTLIER -88.57 5.59 42.07 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 173.409 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -48.77 -30.91 6.19 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 176.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.69 -30.65 71.73 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 58.0 m -80.56 -31.99 36.73 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 119.218 0.917 . . . . 0.0 111.793 174.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -68.75 -36.82 78.84 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.344 1.058 . . . . 0.0 111.081 171.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.9 -18.57 4.88 Favored Glycine 0 CA--C 1.539 1.543 0 O-C-N 120.067 -1.646 . . . . 0.0 114.165 176.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -144.51 126.48 15.43 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.906 1.682 . . . . 0.0 110.048 171.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 tt -165.92 -27.79 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.907 1.283 . . . . 0.0 113.222 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 2.3 m -54.56 -10.02 0.38 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 128.278 2.631 . . . . 0.0 117.159 -171.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 2.2 p -142.87 165.26 27.38 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 127.242 2.217 . . . . 0.0 109.469 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.6 -55.4 2.78 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 121.74 1.627 . . . . 0.0 112.13 173.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -60.93 -36.9 80.53 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.169 0.588 . . . . 0.0 111.593 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.13 -56.28 23.8 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.885 0.874 . . . . 0.0 111.821 174.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -72.83 -41.24 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 120.159 1.345 . . . . 0.0 113.333 -176.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 23.8 mmt -66.6 -33.81 76.5 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.149 0.58 . . . . 0.0 111.776 -175.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.08 3.9 62.4 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.665 1.126 . . . . 0.0 115.009 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 57' ' ' ASN . . . . . 0.434 ' OD1' HG21 ' D' ' 60' ' ' VAL . 8.2 t-20 -72.47 114.92 34.2 Favored Pre-proline 0 CA--C 1.542 0.637 0 CA-C-N 119.589 1.694 . . . . 0.0 112.037 -175.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -57.36 -33.18 95.76 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.165 1.91 . . . . 0.0 112.797 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -71.08 -36.53 72.27 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 60' ' ' VAL . . . . . 0.434 HG21 ' OD1' ' D' ' 57' ' ' ASN . 55.8 t -67.45 -40.69 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 CA-C-N 120.648 1.567 . . . . 0.0 110.68 170.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -63.38 -51.49 65.63 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.269 0.941 . . . . 0.0 111.107 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.1 -48.8 77.72 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.898 1.279 . . . . 0.0 113.361 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -62.78 -39.69 94.97 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.756 -1.215 . . . . 0.0 111.626 174.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.37 -46.01 36.05 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.408 1.48 . . . . 0.0 113.128 166.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -59.81 -41.23 90.8 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.255 1.028 . . . . 0.0 112.385 173.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -67.92 -50.34 56.64 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.033 0.833 . . . . 0.0 112.599 178.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 3.8 m -59.84 -40.64 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 CA-C-N 119.013 0.824 . . . . 0.0 112.081 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 tt -83.39 -30.81 27.07 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.402 -0.811 . . . . 0.0 111.901 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.55 -44.38 93.84 Favored Glycine 0 CA--C 1.533 1.191 0 O-C-N 120.45 -1.406 . . . . 0.0 111.773 168.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.8 95.17 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 169.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . 0.439 ' CE2' ' CE1' ' D' ' 130' ' ' TYR . 88.5 t80 -53.32 -38.37 63.14 Favored 'General case' 0 CA--C 1.549 0.917 0 O-C-N 120.771 -1.205 . . . . 0.0 112.877 171.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 6.0 t -69.33 -38.69 78.31 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.404 1.082 . . . . 0.0 113.387 172.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -56.18 -32.45 64.35 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.836 0.743 . . . . 0.0 111.212 168.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.21 -67.44 2.21 Favored Glycine 0 C--N 1.34 0.756 0 C-N-CA 124.789 1.185 . . . . 0.0 112.325 164.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.09 -21.65 33.6 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.41 -25.6 36.06 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.381 1.472 . . . . 0.0 114.295 171.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -145.99 48.74 1.21 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.68 1.592 . . . . 0.0 111.956 -168.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 98.2 mt -62.57 -19.43 63.68 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 120.125 -1.61 . . . . 0.0 113.366 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -59.82 -15.13 18.4 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.458 1.503 . . . . 0.0 115.043 166.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -94.26 -90.69 0.21 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.091 0.956 . . . . 0.0 111.203 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 mm? 52.74 18.16 0.97 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -174.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -148.81 -25.69 0.31 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 128.131 2.572 . . . . 0.0 112.801 -176.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -116.61 -41.46 0.73 Allowed Glycine 0 N--CA 1.48 1.601 0 C-N-CA 125.231 1.396 . . . . 0.0 114.67 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.3 p -61.1 -34.18 74.53 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 119.08 1.44 . . . . 0.0 113.296 175.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -97.47 -7.12 32.26 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 124.164 0.986 . . . . 0.0 112.972 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.48 -40.81 83.78 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 121.046 1.748 . . . . 0.0 114.433 -169.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 11.9 p -61.08 -35.41 76.91 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.121 0.968 . . . . 0.0 112.022 171.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 18.8 mt -70.55 -48.44 55.38 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-O 117.851 -1.071 . . . . 0.0 110.294 172.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -55.12 -37.36 66.79 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 121.104 1.775 . . . . 0.0 112.726 176.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.49 -55.57 23.04 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.12 1.768 . . . . 0.0 112.883 168.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 54.6 tp -51.84 -52.54 48.67 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.234 -0.916 . . . . 0.0 110.177 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -74.74 25.5 0.09 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 129.062 2.945 . . . . 0.0 113.567 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 93' ' ' CYS . . . . . 0.421 ' HB2' HG21 ' A' ' 41' ' ' THR . 4.8 p -152.86 -67.3 0.16 Allowed 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 118.685 -0.674 . . . . 0.0 112.028 154.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -53.35 -20.16 4.14 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 127.715 2.406 . . . . 0.0 114.805 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -121.04 -22.73 6.04 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.404 1.481 . . . . 0.0 114.279 169.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 16.8 mt -138.22 85.07 2.07 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.841 2.057 . . . . 0.0 108.243 -177.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -56.89 -27.99 61.34 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -7.26 115.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 129.299 3.04 . . . . 0.0 115.158 169.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.62 140.58 96.52 Favored Pre-proline 0 CA--C 1.546 0.793 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -163.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 100' ' ' PRO . . . . . 0.427 ' HD3' ' CE2' ' D' ' 145' ' ' TYR . 52.6 Cg_endo -70.71 -12.27 30.84 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.372 2.714 . . . . 0.0 114.305 -174.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -45.12 -39.24 5.79 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.668 1.187 . . . . 0.0 111.781 159.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -63.99 -39.59 94.46 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.245 1.818 . . . . 0.0 111.588 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 103' ' ' PHE . . . . . 0.409 ' CD2' ' HA ' ' D' ' 100' ' ' PRO . 6.3 m-30 -68.21 -42.67 79.49 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.865 1.666 . . . . 0.0 111.142 177.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -55.7 -46.7 77.61 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.308 1.043 . . . . 0.0 110.796 174.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 18.3 mt -63.18 -49.92 72.37 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 117.327 -1.32 . . . . 0.0 112.928 175.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 tt -54.86 -48.16 73.28 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 120.293 1.406 . . . . 0.0 110.398 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -50.61 -59.82 7.5 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 123.93 0.776 . . . . 0.0 114.06 172.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 108' ' ' ASN . . . . . 0.459 HD22 ' CG ' ' C' ' 103' ' ' HIS . 27.2 t-20 -53.07 -48.46 67.7 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 122.006 0.908 . . . . 0.0 110.963 178.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.12 -38.48 74.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 125.343 1.457 . . . . 0.0 113.572 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 50.7 tp -56.39 -51.86 66.75 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.377 0.671 . . . . 0.0 109.642 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -52.62 -40.24 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 118.551 0.614 . . . . 0.0 111.267 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 112' ' ' CYS . . . . . 0.568 ' HA ' HG22 ' C' ' 107' ' ' VAL . 11.7 m -61.67 -50.02 74.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 178.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 5.3 p -63.6 -36.23 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 119.508 1.049 . . . . 0.0 112.067 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 5.1 mt -58.53 -43.51 89.24 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.056 0.844 . . . . 0.0 111.821 174.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.09 -26.97 65.2 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 173.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -63.2 -57.05 11.8 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 120.203 1.365 . . . . 0.0 110.5 164.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -68.52 -25.85 65.15 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.005 0.922 . . . . 0.0 112.432 -167.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -132.23 41.72 3.2 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.199 1.8 . . . . 0.0 111.208 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -56.69 -18.0 22.68 Favored Glycine 0 N--CA 1.477 1.43 0 C-N-CA 125.775 1.655 . . . . 0.0 117.017 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -84.79 -1.97 57.07 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 118.372 1.086 . . . . 0.0 113.084 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -136.13 4.68 2.98 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.857 2.063 . . . . 0.0 112.216 -168.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -78.62 30.55 0.19 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 126.47 1.908 . . . . 0.0 115.794 -166.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 123' ' ' THR . . . . . 0.574 ' HG1' ' H ' ' D' ' 126' ' ' VAL . 7.4 p -40.15 148.37 0.33 Allowed Pre-proline 0 N--CA 1.486 1.353 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -163.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -44.08 -46.09 11.41 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.698 2.265 . . . . 0.0 115.664 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.94 -29.36 6.88 Favored 'Trans proline' 0 C--N 1.353 0.812 0 CA-C-O 116.162 -1.683 . . . . 0.0 114.463 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 126' ' ' VAL . . . . . 0.574 ' H ' ' HG1' ' D' ' 123' ' ' THR . 1.0 OUTLIER -63.69 -37.85 80.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 CA-C-N 123.663 2.938 . . . . 0.0 112.567 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -69.07 -44.91 71.62 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.363 0.665 . . . . 0.0 111.773 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.64 92.9 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 169.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.38 77.46 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.146 0.978 . . . . 0.0 109.988 176.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 130' ' ' TYR . . . . . 0.532 ' CE2' HG21 ' D' ' 11' ' ' VAL . 0.3 OUTLIER -49.5 -54.71 16.37 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.925 0.89 . . . . 0.0 111.735 166.738 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -37.48 71.89 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 118.318 -0.848 . . . . 0.0 112.737 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -63.2 -45.26 92.56 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.951 1.705 . . . . 0.0 112.35 175.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.79 -44.72 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 CA-C-N 118.853 0.752 . . . . 0.0 110.639 173.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.61 -47.58 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.577 1.551 . . . . 0.0 112.658 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.43 91.2 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.557 1.143 . . . . 0.0 110.405 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.79 -53.91 27.53 Favored Glycine 0 C--N 1.343 0.958 0 CA-C-O 119.12 -0.822 . . . . 0.0 113.067 162.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -56.9 -45.75 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 119.267 1.533 . . . . 0.0 112.78 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.28 -45.1 85.79 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.618 -0.676 . . . . 0.0 111.272 177.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -61.86 -36.07 80.16 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.981 0.913 . . . . 0.0 112.237 174.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.34 -49.69 63.04 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 124.064 0.946 . . . . 0.0 111.335 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.61 -36.98 82.28 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.645 1.112 . . . . 0.0 111.662 174.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.72 -6.65 46.0 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 114.989 1.478 . . . . 0.0 114.989 173.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -56.08 -42.41 76.67 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 119.909 -1.745 . . . . 0.0 112.659 -177.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -63.46 -2.29 1.51 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.931 2.092 . . . . 0.0 114.724 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 145' ' ' TYR . . . . . 0.427 ' CE2' ' HD3' ' D' ' 100' ' ' PRO . 1.3 m-85 -100.0 6.68 45.08 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 127.508 2.323 . . . . 0.0 111.51 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.365 0 C-N-CA 127.653 2.381 . . . . 0.0 114.437 163.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.506 HMA1 HD22 ' A' ' 83' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 201' ' ' HEC . . . . . 0.517 HMA1 HD22 ' C' ' 83' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 24.3 m . . . . . 0 N--CA 1.507 2.377 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.405 HD12 HG23 ' A' ' 73' ' ' VAL . 5.1 mp -140.56 -171.11 3.15 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 119.974 -1.704 . . . . 0.0 110.749 172.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 p -112.76 141.3 25.17 Favored Pre-proline 0 N--CA 1.476 0.853 0 C-N-CA 126.188 1.795 . . . . 0.0 112.033 -176.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.25 -48.74 20.2 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 124.049 3.166 . . . . 0.0 116.126 -169.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.2 -40.0 92.34 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 122.155 -0.34 . . . . 0.0 111.5 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.98 -39.87 95.09 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.79 0.436 . . . . 0.0 111.062 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -55.91 -49.9 72.18 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.628 0.649 . . . . 0.0 110.991 171.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.7 m -59.37 -44.66 92.69 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.63 0.772 . . . . 0.0 111.79 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -62.18 -41.79 98.66 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.56 -0.713 . . . . 0.0 111.975 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.2 t -61.15 -49.16 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.841 1.256 . . . . 0.0 111.463 173.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -58.44 -46.45 86.52 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 118.912 0.778 . . . . 0.0 111.637 175.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.91 -52.6 64.83 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.467 0.707 . . . . 0.0 111.514 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.88 -51.88 67.33 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.307 0.643 . . . . 0.0 111.954 177.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -64.01 -28.03 69.52 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.501 -0.749 . . . . 0.0 112.994 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.05 -42.45 99.59 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.497 1.046 . . . . 0.0 113.256 170.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -70.25 -35.08 73.58 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.664 1.232 . . . . 0.0 111.365 174.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.46 -50.47 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.043 0.937 . . . . 0.0 111.595 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.55 -139.15 9.64 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.02 0.819 . . . . 0.0 114.23 178.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.11 -22.44 50.86 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -69.94 -6.57 33.95 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 174.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.68 -47.15 29.71 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.416 1.007 . . . . 0.0 113.158 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.33 -37.89 95.56 Favored Glycine 0 N--CA 1.471 0.989 0 O-C-N 121.979 -0.45 . . . . 0.0 113.579 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -63.84 -46.15 86.36 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.953 0.901 . . . . 0.0 110.76 174.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -68.6 -36.86 79.25 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.35 -51.52 58.29 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 118.849 0.749 . . . . 0.0 112.164 170.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.69 -50.47 68.19 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.522 0.729 . . . . 0.0 111.617 175.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -67.78 -35.62 79.0 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -177.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.85 83.44 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.098 0.863 . . . . 0.0 112.674 172.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.4 mt -64.37 -51.45 63.22 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.698 0.681 . . . . 0.0 111.534 173.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -57.28 -46.05 83.5 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.026 0.83 . . . . 0.0 112.257 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.5 ttm105 -58.81 -47.31 85.23 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 125.075 1.35 . . . . 0.0 111.64 174.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 61.8 ttp -53.49 -46.33 69.96 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.515 1.052 . . . . 0.0 112.922 173.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -61.34 -17.47 54.01 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 174.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.1 mt -100.63 -46.53 5.15 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.387 1.075 . . . . 0.0 110.299 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.2 m -68.07 -29.2 68.1 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 126.926 2.09 . . . . 0.0 114.668 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -135.15 76.12 58.4 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 125.861 1.664 . . . . 0.0 109.826 -177.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -46.64 -25.6 3.7 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 124.74 3.626 . . . . 0.0 115.476 -178.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.9 m -46.28 -38.74 8.99 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.848 1.659 . . . . 0.0 114.508 170.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.8 p -65.12 -31.42 72.61 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 119.695 -1.878 . . . . 0.0 112.349 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -58.57 -34.58 71.21 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.983 1.313 . . . . 0.0 112.344 173.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.87 -19.06 65.74 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -9.52 42.38 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 121.212 -0.93 . . . . 0.0 113.237 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 46.71 64.36 8.49 Favored Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 124.927 1.291 . . . . 0.0 112.352 -168.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -47.81 145.02 10.44 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 123.869 3.046 . . . . 0.0 114.861 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.46 4.45 4.79 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 -175.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.88 -175.94 3.95 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.752 1.621 . . . . 0.0 113.406 -168.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -122.67 142.8 50.28 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.88 1.272 . . . . 0.0 111.179 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -145.62 31.29 1.08 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.923 1.289 . . . . 0.0 113.114 -165.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.5 t -73.81 38.4 0.1 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.609 1.964 . . . . 0.0 114.347 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.1 m170 63.24 147.13 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 129.0 2.92 . . . . 0.0 114.385 -170.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.91 17.5 51.12 Favored Glycine 0 CA--C 1.543 1.813 0 C-N-CA 124.522 1.058 . . . . 0.0 115.551 -176.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -62.31 133.01 54.53 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.775 1.23 . . . . 0.0 113.562 -170.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.69 -27.47 67.89 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.107 1.363 . . . . 0.0 113.266 171.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -82.94 -40.72 19.74 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.437 0.695 . . . . 0.0 111.471 177.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.92 -41.69 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 O-C-N 121.489 -0.757 . . . . 0.0 111.962 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -62.12 -38.86 90.54 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 119.783 1.174 . . . . 0.0 112.696 175.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.63 -53.49 27.73 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 124.174 0.893 . . . . 0.0 111.936 176.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -56.2 -44.68 79.72 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 117.661 0.731 . . . . 0.0 111.56 174.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.52 -48.68 64.02 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.281 0.943 . . . . 0.0 114.123 172.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -56.18 -42.93 77.87 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 118.55 1.175 . . . . 0.0 112.926 170.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.46 -42.02 68.68 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.063 0.847 . . . . 0.0 111.157 -178.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.8 t -55.4 -49.07 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.723 1.209 . . . . 0.0 110.437 169.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.28 86.94 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -63.77 -39.16 93.59 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.127 0.876 . . . . 0.0 112.253 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.05 81.68 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.421 -0.799 . . . . 0.0 112.626 169.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.94 -42.88 94.29 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.38 -0.825 . . . . 0.0 111.635 170.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.9 m -57.39 -44.38 84.44 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.851 1.205 . . . . 0.0 111.96 171.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -58.47 -47.66 83.33 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.804 0.842 . . . . 0.0 110.933 171.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.21 -32.08 70.77 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 174.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.2 t -71.89 -48.79 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 120.125 1.33 . . . . 0.0 110.679 171.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.47 -27.8 67.83 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.217 1.407 . . . . 0.0 113.588 -177.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -124.07 28.03 6.93 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 125.572 1.549 . . . . 0.0 112.105 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.405 HG23 HD12 ' A' ' 2' ' ' LEU . 14.3 p -50.32 -37.21 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 115.17 1.544 . . . . 0.0 115.17 -171.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -103.34 9.48 37.92 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -142.03 33.8 1.55 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.003 2.121 . . . . 0.0 111.122 -171.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.0 ptt? -116.49 55.75 1.39 Allowed Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 125.711 1.605 . . . . 0.0 113.178 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -65.15 -37.25 33.1 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 122.028 1.818 . . . . 0.0 112.269 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -142.76 19.3 2.0 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.532 1.533 . . . . 0.0 113.08 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.81 -10.36 36.98 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 120.131 -1.605 . . . . 0.0 114.548 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.1 mt -113.41 17.67 18.28 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.943 1.697 . . . . 0.0 111.55 171.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.0 t -56.83 -38.74 73.05 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.601 1.16 . . . . 0.0 112.746 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.15 -28.8 59.38 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 173.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mt -84.0 -41.94 16.74 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.007 0.923 . . . . 0.0 111.395 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.4 t -54.81 -42.55 71.98 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 122.682 0.393 . . . . 0.0 111.08 166.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -63.07 -45.81 90.4 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.004 1.322 . . . . 0.0 112.315 174.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.91 -44.82 70.86 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.885 0.766 . . . . 0.0 111.364 173.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -67.51 -63.27 1.09 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.458 0.572 . . . . 0.0 110.888 174.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.06 -30.92 71.97 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -169.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -103.18 2.45 34.5 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.165 0.986 . . . . 0.0 113.159 -171.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -149.76 -32.68 0.2 Allowed 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -174.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 97.2 mt -124.92 -117.91 0.28 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.063 1.745 . . . . 0.0 107.872 168.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 155.64 48.03 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.263 0 C-N-CA 130.495 3.518 . . . . 0.0 113.206 163.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 23.9 t -68.65 140.17 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 O-C-N 120.584 -1.322 . . . . 0.0 112.692 -169.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.71 143.03 51.58 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 126.365 1.866 . . . . 0.0 113.629 175.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.63 -22.14 65.74 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.951 2.434 . . . . 0.0 113.251 165.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 36.9 t -52.38 -46.57 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 O-C-N 120.776 -1.203 . . . . 0.0 110.756 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -60.99 -40.97 95.55 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.896 0.771 . . . . 0.0 112.189 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 3.3 t80 -54.06 -46.78 72.06 Favored 'General case' 0 C--N 1.343 0.287 0 O-C-N 121.539 -0.725 . . . . 0.0 111.264 173.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -56.67 -34.8 67.71 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 118.73 0.695 . . . . 0.0 111.741 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.0 mt -63.77 -52.05 62.1 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.149 0.979 . . . . 0.0 110.678 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -41.44 92.94 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.305 1.042 . . . . 0.0 111.99 174.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.0 t -54.3 -52.17 62.3 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.805 1.242 . . . . 0.0 111.927 173.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -58.3 -42.39 86.54 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.197 -0.939 . . . . 0.0 111.246 173.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 87.6 m -70.16 -9.34 55.38 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 175.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.5 mt -92.13 -47.81 7.05 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.139 1.776 . . . . 0.0 111.767 168.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 54.5 mt -51.22 -46.85 62.38 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.611 1.165 . . . . 0.0 111.128 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.425 HG22 ' HG3' ' B' ' 127' ' ' GLN . 7.1 p -52.55 -44.8 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 169.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -64.1 -43.18 96.16 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 123.314 0.646 . . . . 0.0 111.029 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.4 -45.92 88.82 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.41 -32.19 64.6 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.95 -17.61 62.06 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 175.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -118.99 -30.41 5.02 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -174.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.6 mp -78.34 175.91 4.17 Favored Pre-proline 0 CA--C 1.554 1.132 0 C-N-CA 124.55 1.14 . . . . 0.0 110.835 172.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.49 -154.46 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.653 3.569 . . . . 0.0 113.316 156.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.39 57.95 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.779 1.632 . . . . 0.0 114.488 174.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -42.47 -27.61 0.17 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 127.772 2.429 . . . . 0.0 114.249 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -69.8 6.89 1.02 Allowed 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 116.318 1.97 . . . . 0.0 116.318 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.76 160.48 2.82 Favored Pre-proline 0 N--CA 1.49 1.571 0 CA-C-N 121.281 1.855 . . . . 0.0 112.523 175.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -54.45 -50.3 13.92 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.154 1.902 . . . . 0.0 112.491 169.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.49 -54.43 43.43 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.58 0.352 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 46.0 t -75.07 -40.72 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 120.999 -1.063 . . . . 0.0 111.994 -172.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -74.7 -47.5 31.16 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 120.155 1.343 . . . . 0.0 112.709 178.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.63 -47.43 84.44 Favored 'General case' 0 C--N 1.345 0.413 0 CA-C-N 120.1 1.318 . . . . 0.0 110.718 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 99.5 p -60.57 -48.22 82.75 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 117.324 -1.322 . . . . 0.0 113.453 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.2 mt -67.42 -43.83 80.29 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 120.798 1.635 . . . . 0.0 111.886 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.63 -51.09 71.29 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.402 1.001 . . . . 0.0 112.014 177.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.433 ' HG2' ' HZ2' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -71.65 -29.27 64.44 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 178.118 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -62.97 -53.78 48.62 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 119.586 1.085 . . . . 0.0 110.786 170.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.7 mt -59.13 -39.62 82.91 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.688 176.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.23 -42.98 74.1 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 120.796 1.635 . . . . 0.0 113.179 168.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.0 t -64.15 -43.45 95.15 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.11 -0.994 . . . . 0.0 113.096 172.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.5 t -55.07 -43.84 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 O-C-N 121.279 -0.888 . . . . 0.0 110.317 171.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.405 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . 4.4 t -57.28 -52.19 66.34 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.782 1.233 . . . . 0.0 112.754 172.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 58.0 m -51.86 -46.31 64.4 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.078 0.951 . . . . 0.0 111.528 175.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.28 -41.2 80.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 O-C-N 121.413 -0.805 . . . . 0.0 112.283 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.91 -15.5 22.14 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.61 1.164 . . . . 0.0 113.737 168.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 20.3 m -101.28 -11.5 19.42 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.87 1.668 . . . . 0.0 111.771 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.8 t -64.73 151.38 45.28 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.972 1.309 . . . . 0.0 112.997 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -144.13 179.66 7.07 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.046 1.738 . . . . 0.0 111.799 -170.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -52.15 141.3 18.99 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.813 0.845 . . . . 0.0 112.447 169.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 . . . . . 0 C--O 1.254 1.322 0 C-N-CA 125.146 1.378 . . . . 0.0 113.856 173.147 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.33 3.3 p . . . . . 0 N--CA 1.513 2.723 0 CA-C-O 116.93 -1.509 . . . . 0.0 113.344 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 26.84 62.06 0.09 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 127.392 2.277 . . . . 0.0 115.931 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 146.99 37.11 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 120.966 -1.084 . . . . 0.0 109.808 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.408 ' HG1' ' H ' ' B' ' 6' ' ' GLU . 0.1 OUTLIER -63.67 157.98 62.87 Favored Pre-proline 0 N--CA 1.481 1.103 0 CA-C-O 118.667 -0.682 . . . . 0.0 109.873 171.4 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -52.9 -36.92 76.64 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.595 2.197 . . . . 0.0 114.68 172.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.408 ' H ' ' HG1' ' B' ' 4' ' ' THR . 3.7 pt-20 -75.92 -37.86 58.28 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.154 0.888 . . . . 0.0 112.05 177.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -63.2 -49.55 73.79 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 118.693 -0.67 . . . . 0.0 111.155 171.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -54.23 -49.18 70.07 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.164 1.385 . . . . 0.0 111.072 174.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.6 t -54.2 -46.98 72.56 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.827 0.74 . . . . 0.0 111.194 175.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.54 74.43 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.414 HG21 ' CE2' ' B' ' 130' ' ' TYR . 2.9 p -63.93 -52.9 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 CA-C-N 120.13 1.332 . . . . 0.0 111.716 176.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -73.84 -31.0 62.99 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.138 -0.976 . . . . 0.0 112.891 -171.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.86 -37.16 81.47 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 120.511 1.505 . . . . 0.0 112.073 172.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -40.54 95.45 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.596 0.634 . . . . 0.0 110.776 168.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -54.46 -45.83 73.21 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.142 0.883 . . . . 0.0 111.323 171.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.6 -25.97 56.36 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 125.721 1.629 . . . . 0.0 115.578 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -102.05 -12.75 17.89 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.786 1.293 . . . . 0.0 113.581 172.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.468 HG23 HG13 ' B' ' 23' ' ' VAL . 0.4 OUTLIER -59.89 137.49 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 124.518 1.127 . . . . 0.0 111.977 -173.268 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -87.41 82.2 7.61 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.621 0.769 . . . . 0.0 108.94 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 61.5 t -53.04 -39.43 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 124.123 0.969 . . . . 0.0 113.237 -169.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.21 -6.17 50.15 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -122.17 -51.88 1.98 Allowed 'General case' 0 N--CA 1.473 0.704 0 O-C-N 120.365 -1.46 . . . . 0.0 110.769 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.468 HG13 HG23 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -60.75 -29.27 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 119.431 1.014 . . . . 0.0 112.351 170.697 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.81 -42.22 46.8 Favored Glycine 0 N--CA 1.472 1.053 0 CA-C-N 119.48 1.036 . . . . 0.0 112.303 173.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.89 -41.07 99.61 Favored Glycine 0 N--CA 1.47 0.953 0 CA-C-N 117.812 0.806 . . . . 0.0 112.499 171.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -64.21 -39.5 94.11 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 125.073 1.349 . . . . 0.0 111.823 171.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.49 -53.69 48.08 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 120.145 1.339 . . . . 0.0 110.428 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.05 -42.33 99.08 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.083 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -52.5 -62.94 5.34 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-N 119.494 1.043 . . . . 0.0 112.832 170.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 ttt-85 -47.84 -36.78 12.5 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 126.016 1.726 . . . . 0.0 113.611 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tp -69.83 -62.26 1.45 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.693 1.197 . . . . 0.0 110.396 170.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.98 -12.65 52.4 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.426 1.091 . . . . 0.0 113.749 -170.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.462 ' C ' ' H ' ' B' ' 35' ' ' TYR . 18.2 m -99.46 -3.69 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 115.872 1.805 . . . . 0.0 115.872 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.87 8.36 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 CA-C-N 122.509 2.413 . . . . 0.0 112.585 167.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . 0.462 ' H ' ' C ' ' B' ' 33' ' ' VAL . 3.8 t80 44.77 41.94 0.85 Allowed Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 126.674 1.99 . . . . 0.0 113.699 -158.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -75.87 175.29 11.49 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 121.917 1.745 . . . . 0.0 110.402 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -55.48 -22.67 21.89 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 166.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -21.86 66.06 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 119.109 -2.244 . . . . 0.0 113.504 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -56.15 -23.36 34.31 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 171.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -54.95 -22.85 16.44 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 176.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.03 5.51 46.31 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 175.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.74 -25.96 8.52 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.21 -34.63 68.74 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 173.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 77.6 p -90.19 -5.33 56.53 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.581 1.082 . . . . 0.0 112.995 172.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -106.93 -2.8 20.87 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.145 1.378 . . . . 0.0 113.597 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.32 -123.57 29.84 Favored Glycine 0 CA--C 1.535 1.332 0 CA-C-N 120.929 1.695 . . . . 0.0 113.048 175.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.55 111.87 2.23 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.614 0.766 . . . . 0.0 111.428 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 tt -146.3 -24.39 0.44 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 24.5 p -60.92 -4.08 0.92 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 -171.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 6.5 p -143.07 163.72 36.1 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 126.606 1.962 . . . . 0.0 109.775 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -57.8 -53.43 4.46 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.989 1.792 . . . . 0.0 112.372 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -63.09 -27.77 69.62 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.581 1.152 . . . . 0.0 113.108 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.17 -64.25 0.91 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.762 0.71 . . . . 0.0 111.022 169.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 p -68.04 -37.47 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -169.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.76 -26.16 63.23 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 178.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.85 -25.08 10.01 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 123.789 0.709 . . . . 0.0 114.692 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.452 ' ND2' ' H ' ' B' ' 60' ' ' VAL . 9.6 t30 -62.26 120.51 59.16 Favored Pre-proline 0 CA--C 1.555 1.16 0 C-N-CA 124.878 1.271 . . . . 0.0 114.05 -172.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.74 -45.98 32.59 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 124.442 3.428 . . . . 0.0 115.389 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -62.83 -34.95 78.39 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.98 0.912 . . . . 0.0 112.949 -175.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.452 ' H ' ' ND2' ' B' ' 57' ' ' ASN . 73.5 t -64.87 -45.1 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 C-N-CA 124.437 1.095 . . . . 0.0 110.332 171.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.54 -40.39 89.08 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 118.61 0.641 . . . . 0.0 112.253 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.2 99.39 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.396 1.078 . . . . 0.0 113.052 171.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -62.2 -37.59 85.9 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.619 -1.301 . . . . 0.0 112.38 169.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.71 -51.46 33.33 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.614 1.102 . . . . 0.0 113.016 166.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -57.64 -37.97 74.23 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 118.252 1.026 . . . . 0.0 113.225 173.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -69.82 -54.42 13.66 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.11 0.868 . . . . 0.0 113.087 176.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 4.2 m -60.75 -41.83 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 120.253 1.388 . . . . 0.0 111.85 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.401 ' HA ' ' CD2' ' B' ' 71' ' ' PHE . 3.7 tt -78.76 -33.53 46.38 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.483 -0.761 . . . . 0.0 111.646 -176.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.8 -41.27 90.75 Favored Glycine 0 CA--C 1.534 1.219 0 O-C-N 121.06 -1.025 . . . . 0.0 112.212 166.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.03 -41.22 95.47 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.208 1.004 . . . . 0.0 112.434 171.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.401 ' CD2' ' HA ' ' B' ' 68' ' ' LEU . 9.1 m-30 -58.71 -35.65 72.99 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.297 -1.502 . . . . 0.0 112.075 171.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -41.34 81.58 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.862 0.865 . . . . 0.0 113.08 172.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -57.23 -32.56 66.66 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.04 0.836 . . . . 0.0 111.702 170.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.16 -66.0 3.01 Favored Glycine 0 C--N 1.339 0.695 0 C-N-CA 123.746 0.688 . . . . 0.0 111.428 166.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.32 -32.82 39.74 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -178.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.89 -26.73 59.86 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.769 1.627 . . . . 0.0 115.155 176.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -144.67 45.91 1.38 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.324 1.45 . . . . 0.0 112.31 -169.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 93.9 mt -58.78 -23.37 60.07 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -178.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -63.45 -21.31 66.23 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.382 1.073 . . . . 0.0 113.659 173.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -92.63 -68.03 0.82 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.526 0.73 . . . . 0.0 111.914 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 48.94 -17.02 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 118.455 2.761 . . . . 0.0 118.455 -168.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -97.35 -66.1 0.92 Allowed 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.602 1.546 . . . . 0.0 110.036 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.81 -32.39 69.9 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.031 0.824 . . . . 0.0 114.992 -176.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -26.42 65.27 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.37 1.468 . . . . 0.0 113.98 174.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -116.09 -11.46 11.39 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -173.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.57 -40.67 52.83 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.827 1.418 . . . . 0.0 114.827 -172.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 19.9 p -66.78 -34.11 77.11 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.276 1.031 . . . . 0.0 112.949 173.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 41.4 mt -74.69 -38.43 62.37 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.245 1.018 . . . . 0.0 111.691 172.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.0 m -64.73 -37.37 87.37 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.981 1.264 . . . . 0.0 111.624 173.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.58 -55.65 28.53 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.932 1.293 . . . . 0.0 111.56 167.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 27.1 tp -52.91 -58.6 6.41 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.306 1.042 . . . . 0.0 111.36 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -78.25 41.04 0.37 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.254 1.422 . . . . 0.0 112.355 176.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 8.4 t -155.13 -74.61 0.11 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.503 1.121 . . . . 0.0 109.957 165.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -26.76 68.59 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.361 1.465 . . . . 0.0 114.158 -178.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.63 -35.43 9.12 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.997 0.919 . . . . 0.0 111.762 173.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mt -135.61 86.04 2.21 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.67 1.988 . . . . 0.0 109.065 -174.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -53.39 -28.81 31.49 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.733 1.213 . . . . 0.0 114.207 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 6.63 101.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 129.721 3.208 . . . . 0.0 115.104 161.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -62.26 139.27 96.28 Favored Pre-proline 0 CA--C 1.548 0.892 0 O-C-N 120.625 -1.297 . . . . 0.0 113.458 -164.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . 0.418 ' HD3' ' CE2' ' B' ' 145' ' ' TYR . 31.0 Cg_endo -65.86 -15.88 50.7 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.69 2.927 . . . . 0.0 115.449 -169.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -49.15 -38.9 26.93 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.916 0.887 . . . . 0.0 112.027 163.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.05 -37.12 86.28 Favored 'General case' 0 CA--C 1.55 0.973 0 O-C-N 121.338 -0.851 . . . . 0.0 111.026 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -63.87 -47.68 79.73 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.636 1.107 . . . . 0.0 111.229 172.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -56.5 -50.01 73.04 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.734 0.813 . . . . 0.0 110.129 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 74.7 mt -58.83 -46.47 87.61 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.871 0.868 . . . . 0.0 112.073 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.25 -36.96 76.43 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.602 0.637 . . . . 0.0 111.835 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -65.73 -51.92 42.8 Favored Glycine 0 N--CA 1.469 0.851 0 O-C-N 120.871 -1.143 . . . . 0.0 114.186 171.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -53.71 -27.66 29.37 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.733 0.813 . . . . 0.0 112.585 173.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 8.5 t -81.0 -47.61 20.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 124.524 1.13 . . . . 0.0 113.453 174.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 11.5 tp -48.61 -54.21 15.51 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.406 1.003 . . . . 0.0 110.217 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.626 HG11 ' HB3' ' B' ' 130' ' ' TYR . 5.6 m -58.36 -25.56 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -175.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . 0.405 ' HA ' HG21 ' A' ' 107' ' ' VAL . 78.8 m -77.7 -39.83 43.34 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.399 -0.813 . . . . 0.0 112.533 175.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 16.7 m -74.24 -28.99 23.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-N 119.617 1.098 . . . . 0.0 112.832 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.43 ' CD2' ' CZ ' ' B' ' 130' ' ' TYR . 8.4 mp -64.29 -46.03 85.43 Favored 'General case' 0 N--CA 1.463 0.181 0 O-C-N 121.322 -0.861 . . . . 0.0 110.645 170.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.17 72.92 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 171.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -60.21 -52.77 63.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.013 1.278 . . . . 0.0 111.445 171.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -69.52 -23.85 63.65 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -176.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -131.35 49.21 2.34 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.938 1.695 . . . . 0.0 110.908 -174.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.14 -21.65 66.22 Favored Glycine 0 N--CA 1.468 0.831 0 N-CA-C 115.754 1.062 . . . . 0.0 115.754 -169.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -81.36 -2.03 47.7 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.37 1.085 . . . . 0.0 112.434 173.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.52 3.76 3.91 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.567 1.947 . . . . 0.0 113.45 -173.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.32 30.14 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 129.489 3.116 . . . . 0.0 118.112 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.542 ' HG1' ' H ' ' B' ' 126' ' ' VAL . 7.4 p -51.08 153.05 3.42 Favored Pre-proline 0 N--CA 1.482 1.146 0 C-N-CA 124.259 1.024 . . . . 0.0 113.52 -166.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -45.87 -49.09 11.51 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.603 2.202 . . . . 0.0 114.134 172.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.91 -26.23 22.4 Favored 'Trans proline' 0 C--N 1.354 0.854 0 CA-C-O 116.74 -1.442 . . . . 0.0 114.37 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . 0.542 ' H ' ' HG1' ' B' ' 123' ' ' THR . 9.4 t -58.8 -52.99 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 CA-C-N 122.837 2.562 . . . . 0.0 111.458 173.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . 0.425 ' HG3' HG22 ' A' ' 107' ' ' VAL . 1.1 tm0? -62.45 -47.0 85.96 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.411 0.285 . . . . 0.0 110.533 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.01 -38.12 89.92 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.68 -50.29 65.45 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 124.113 0.965 . . . . 0.0 110.269 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.626 ' HB3' HG11 ' B' ' 111' ' ' VAL . 6.5 m-85 -51.89 -46.24 64.46 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.872 -0.517 . . . . 0.0 111.686 167.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -63.49 -35.36 80.2 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 117.776 -1.107 . . . . 0.0 113.881 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -67.39 -40.02 85.65 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 121.715 2.052 . . . . 0.0 113.124 173.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.8 -43.52 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 120.243 1.383 . . . . 0.0 111.754 171.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 25.6 t -73.42 -29.66 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 119.272 0.942 . . . . 0.0 113.097 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.46 -45.42 90.94 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 120.555 1.525 . . . . 0.0 111.674 169.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -55.21 -45.25 83.25 Favored Glycine 0 N--CA 1.473 1.148 0 N-CA-C 111.976 -0.45 . . . . 0.0 111.976 169.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -44.33 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.203 1.001 . . . . 0.0 113.309 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.26 -44.57 96.23 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.474 -0.766 . . . . 0.0 110.551 177.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -63.92 -35.65 81.38 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.388 0.675 . . . . 0.0 112.349 174.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.64 -47.29 73.04 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.827 0.851 . . . . 0.0 111.842 175.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 13.7 mt -61.53 -37.75 84.91 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.221 0.919 . . . . 0.0 111.1 173.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.4 -6.74 20.46 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 171.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -59.6 -36.12 75.65 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 119.515 -1.991 . . . . 0.0 113.444 -176.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -67.7 -4.27 11.68 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 174.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' TYR . . . . . 0.418 ' CE2' ' HD3' ' B' ' 100' ' ' PRO . 2.2 m-85 -95.63 11.14 34.3 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.173 1.789 . . . . 0.0 111.8 178.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.258 1.517 0 C-N-CA 127.991 2.516 . . . . 0.0 115.145 174.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.507 2.414 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . 0.417 HD12 HG22 ' C' ' 73' ' ' VAL . 5.0 mp -140.6 -171.09 3.15 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 119.963 -1.711 . . . . 0.0 110.809 172.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 7.7 p -112.78 141.58 25.68 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 126.059 1.744 . . . . 0.0 111.986 -176.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -52.51 -48.59 21.12 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 124.126 3.217 . . . . 0.0 116.084 -169.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.19 93.82 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 122.108 -0.37 . . . . 0.0 111.431 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.52 -40.07 96.08 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.83 0.452 . . . . 0.0 111.393 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -55.54 -50.21 70.61 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 118.808 0.731 . . . . 0.0 111.054 170.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 56.1 m -59.2 -44.59 92.23 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.825 0.85 . . . . 0.0 111.831 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -62.34 -41.73 98.82 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.634 -0.666 . . . . 0.0 111.918 176.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.31 -49.08 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.836 1.254 . . . . 0.0 111.452 173.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -58.45 -46.57 86.28 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 118.864 0.756 . . . . 0.0 111.547 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.95 -52.42 65.57 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.386 0.675 . . . . 0.0 111.564 177.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.95 -51.88 67.4 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.351 0.66 . . . . 0.0 111.986 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -63.95 -28.14 69.62 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.72 -42.75 99.64 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.584 1.088 . . . . 0.0 113.413 169.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -70.15 -35.04 73.76 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 118.617 1.209 . . . . 0.0 111.303 174.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.47 -50.59 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.251 1.02 . . . . 0.0 111.514 175.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.62 -139.08 9.88 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.099 0.857 . . . . 0.0 114.296 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.06 -22.55 50.75 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -69.88 -6.55 33.46 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 174.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.57 -47.36 28.41 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.564 1.075 . . . . 0.0 113.282 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.28 -37.93 95.64 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 121.909 -0.494 . . . . 0.0 113.503 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -63.53 -46.47 85.85 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.154 0.982 . . . . 0.0 110.81 174.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -68.31 -37.07 80.23 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.22 -51.48 58.59 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-N 118.723 0.692 . . . . 0.0 112.067 170.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.94 -50.42 68.91 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.53 0.732 . . . . 0.0 111.652 175.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -67.62 -35.8 79.61 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.24 83.68 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.122 0.874 . . . . 0.0 112.701 172.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 54.0 mt -64.1 -51.51 63.68 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.555 0.616 . . . . 0.0 111.63 173.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -57.24 -46.14 83.27 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 121.288 -0.882 . . . . 0.0 112.18 177.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.3 ttm105 -58.83 -47.39 84.99 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 124.97 1.308 . . . . 0.0 111.561 174.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 61.7 ttp -53.43 -46.46 69.81 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.601 1.091 . . . . 0.0 112.898 173.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -61.24 -17.75 54.91 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 174.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 34.4 mt -100.12 -46.5 5.3 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.341 1.057 . . . . 0.0 110.474 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 74.4 m -68.16 -29.29 68.13 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 126.956 2.102 . . . . 0.0 114.527 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -135.14 75.92 58.89 Favored Pre-proline 0 CA--C 1.541 0.635 0 C-N-CA 125.934 1.694 . . . . 0.0 109.844 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -46.57 -25.59 3.61 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 124.686 3.591 . . . . 0.0 115.467 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 3.9 m -46.15 -38.83 8.71 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.798 1.639 . . . . 0.0 114.537 170.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 81.8 p -65.02 -31.49 72.75 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 119.847 -1.783 . . . . 0.0 112.359 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -58.71 -34.39 71.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.03 1.332 . . . . 0.0 112.212 173.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.17 -18.92 65.65 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -9.52 42.36 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 121.196 -0.94 . . . . 0.0 113.282 175.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 46.69 64.32 8.53 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 124.892 1.277 . . . . 0.0 112.368 -168.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -47.79 145.1 10.24 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 123.924 3.083 . . . . 0.0 114.831 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.48 4.37 4.91 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -175.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.91 -175.93 3.94 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.789 1.636 . . . . 0.0 113.458 -167.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -122.71 142.94 50.15 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.733 1.213 . . . . 0.0 111.145 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -145.61 31.27 1.08 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.887 1.275 . . . . 0.0 113.091 -165.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 2.6 t -73.88 38.45 0.1 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.61 1.964 . . . . 0.0 114.192 -176.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 11.2 m170 63.09 147.3 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 129.085 2.954 . . . . 0.0 114.366 -170.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.62 17.67 49.52 Favored Glycine 0 CA--C 1.542 1.77 0 C-N-CA 124.593 1.092 . . . . 0.0 115.572 -176.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -62.15 133.01 54.66 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.8 1.24 . . . . 0.0 113.623 -171.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.23 67.98 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.159 1.384 . . . . 0.0 113.147 171.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -83.3 -40.73 19.14 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.383 0.673 . . . . 0.0 111.446 177.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.79 -41.64 88.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 O-C-N 121.471 -0.768 . . . . 0.0 111.995 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -61.98 -39.06 90.87 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 119.756 1.162 . . . . 0.0 112.684 175.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.62 -53.38 28.39 Favored Glycine 0 N--CA 1.469 0.878 0 C-N-CA 124.06 0.838 . . . . 0.0 112.018 176.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -56.28 -44.56 79.91 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.905 -0.762 . . . . 0.0 111.699 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.54 -48.79 63.59 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.422 1.01 . . . . 0.0 113.932 172.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -56.16 -42.84 77.67 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 118.597 1.199 . . . . 0.0 112.903 171.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.65 -41.88 68.22 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.1 0.864 . . . . 0.0 111.086 -178.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 63.6 t -55.75 -48.73 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.594 1.158 . . . . 0.0 110.422 169.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.33 -47.29 86.6 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -63.81 -38.95 92.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.045 0.839 . . . . 0.0 112.298 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.36 -36.97 81.7 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.271 -0.893 . . . . 0.0 112.609 169.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -42.79 94.23 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.324 -0.86 . . . . 0.0 111.622 170.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 90.9 m -57.47 -44.38 84.79 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.917 1.235 . . . . 0.0 111.886 171.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -58.59 -47.5 84.11 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.108 0.867 . . . . 0.0 110.996 171.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.19 -32.21 70.87 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 174.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 77.1 t -71.74 -49.02 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 120.19 1.359 . . . . 0.0 110.628 171.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.21 -28.02 67.65 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.364 1.466 . . . . 0.0 113.561 -177.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -124.02 28.06 6.95 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.449 1.5 . . . . 0.0 112.053 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . 0.417 HG22 HD12 ' C' ' 2' ' ' LEU . 14.4 p -50.26 -37.44 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -171.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -103.25 9.55 38.08 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -142.16 33.9 1.53 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.97 2.108 . . . . 0.0 111.068 -171.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -116.55 55.76 1.41 Allowed Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 125.545 1.538 . . . . 0.0 113.204 -177.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -64.93 -37.42 34.13 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 122.009 1.806 . . . . 0.0 112.34 178.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -142.72 19.28 2.0 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.496 1.518 . . . . 0.0 113.13 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.89 -10.23 36.57 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 120.097 -1.627 . . . . 0.0 114.595 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 30.8 mt -113.38 17.56 18.39 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.088 1.755 . . . . 0.0 111.498 171.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 41.1 t -56.67 -38.96 72.92 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.71 1.204 . . . . 0.0 112.749 -176.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.22 -28.62 59.06 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 173.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 10.6 mt -84.06 -42.02 16.56 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.069 0.948 . . . . 0.0 111.288 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 33.6 t -54.94 -42.48 72.36 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.572 0.349 . . . . 0.0 110.945 166.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -63.08 -45.79 90.45 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.067 1.347 . . . . 0.0 112.355 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -44.84 70.51 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.901 0.773 . . . . 0.0 111.405 173.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -67.55 -63.27 1.09 Allowed 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.609 -0.682 . . . . 0.0 110.909 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.08 -30.86 71.93 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -169.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -103.17 2.3 34.32 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.153 0.981 . . . . 0.0 113.049 -171.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -149.74 -32.61 0.2 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -174.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 97.2 mt -125.01 -117.71 0.28 Allowed 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 116.401 -1.761 . . . . 0.0 107.782 168.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . 0.25 0.0 OUTLIER 155.55 47.82 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.313 0 C-N-CA 130.523 3.529 . . . . 0.0 113.175 164.037 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 23.6 t -68.42 140.11 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 O-C-N 120.657 -1.277 . . . . 0.0 112.722 -169.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.7 142.98 51.67 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 126.416 1.887 . . . . 0.0 113.619 175.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -59.48 -22.32 65.74 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 123.026 2.484 . . . . 0.0 113.232 165.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 37.7 t -52.34 -46.47 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 120.675 -1.266 . . . . 0.0 110.722 167.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -61.1 -41.07 95.99 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.847 0.749 . . . . 0.0 112.238 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 3.4 t80 -53.91 -46.84 71.56 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.492 -0.755 . . . . 0.0 111.275 172.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -56.53 -34.83 67.41 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 118.828 0.74 . . . . 0.0 111.944 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.79 -52.24 61.15 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.094 0.958 . . . . 0.0 110.868 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -40.89 91.49 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.292 1.037 . . . . 0.0 112.148 174.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 11.0 t -54.57 -52.34 62.4 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.766 1.226 . . . . 0.0 112.129 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -58.32 -42.43 86.75 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 120.997 -1.064 . . . . 0.0 111.237 173.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 92.0 m -69.29 -10.56 58.39 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 174.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 14.4 mt -91.42 -47.43 7.45 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.156 1.782 . . . . 0.0 111.852 168.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 53.8 mt -51.22 -46.99 62.43 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.645 1.178 . . . . 0.0 111.107 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . 0.434 HG22 ' HG3' ' D' ' 127' ' ' GLN . 7.2 p -52.44 -45.04 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 170.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -64.13 -43.17 96.09 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.295 0.638 . . . . 0.0 110.893 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.26 -46.0 88.87 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.46 -31.95 64.48 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.54 -17.3 61.74 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.594 1.701 . . . . 0.0 115.594 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -118.96 -30.42 5.03 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -174.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.6 mp -78.38 175.85 4.24 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 124.582 1.153 . . . . 0.0 110.939 172.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.56 -154.53 0.0 OUTLIER 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 124.722 3.615 . . . . 0.0 113.221 156.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.24 57.84 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.747 1.619 . . . . 0.0 114.502 174.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -42.46 -27.67 0.17 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.88 2.472 . . . . 0.0 114.105 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -69.85 7.14 0.97 Allowed 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.07 160.45 3.13 Favored Pre-proline 0 N--CA 1.489 1.499 0 CA-C-N 121.387 1.903 . . . . 0.0 112.512 175.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -54.28 -50.27 14.09 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.069 1.846 . . . . 0.0 112.627 169.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.54 -54.55 41.62 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.623 0.369 . . . . 0.0 110.616 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.26 -40.4 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 O-C-N 121.056 -1.027 . . . . 0.0 111.932 -172.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -74.95 -47.28 30.31 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 120.202 1.364 . . . . 0.0 112.761 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.76 -47.33 85.06 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 120.081 1.309 . . . . 0.0 110.604 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 99.7 p -60.73 -48.12 83.2 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 117.406 -1.283 . . . . 0.0 113.456 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 78.3 mt -67.38 -43.93 80.18 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 120.642 1.564 . . . . 0.0 111.778 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -59.54 -51.19 70.93 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.59 1.086 . . . . 0.0 112.058 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -29.46 64.77 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -63.23 -53.52 51.82 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 117.595 -1.193 . . . . 0.0 110.668 170.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.89 -40.1 83.43 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.467 1.031 . . . . 0.0 110.782 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.05 -42.91 73.31 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 120.137 -1.602 . . . . 0.0 113.143 169.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 17.3 t -64.24 -43.11 95.93 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 120.908 -1.12 . . . . 0.0 113.116 172.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 50.6 t -55.68 -43.55 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.289 -0.882 . . . . 0.0 110.158 171.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 4.4 t -57.28 -52.33 65.75 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.711 1.204 . . . . 0.0 112.746 172.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 59.4 m -51.83 -46.19 64.25 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.883 0.873 . . . . 0.0 111.562 175.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 61.5 t -69.41 -41.2 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 O-C-N 121.526 -0.734 . . . . 0.0 112.081 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -15.34 21.83 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.447 1.099 . . . . 0.0 113.757 168.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 20.4 m -101.44 -11.54 19.27 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.737 1.615 . . . . 0.0 111.734 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 7.8 t -64.47 151.44 44.29 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.854 1.262 . . . . 0.0 113.2 -177.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -144.24 179.61 7.12 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.163 1.785 . . . . 0.0 111.792 -170.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -52.21 141.41 18.98 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.666 0.786 . . . . 0.0 112.439 169.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 . . . . . 0 C--O 1.255 1.351 0 C-N-CA 125.126 1.371 . . . . 0.0 113.91 173.169 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.335 3.4 p . . . . . 0 N--CA 1.515 2.808 0 CA-C-O 117.032 -1.461 . . . . 0.0 113.287 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 34.5 p-80 26.93 62.12 0.09 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 127.566 2.347 . . . . 0.0 115.811 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.19 147.04 36.83 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 120.919 -1.113 . . . . 0.0 109.751 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.61 157.98 62.46 Favored Pre-proline 0 N--CA 1.481 1.122 0 CA-C-O 118.679 -0.677 . . . . 0.0 109.949 171.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -52.85 -36.95 76.27 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.488 2.125 . . . . 0.0 114.788 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -75.97 -37.89 58.09 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.118 0.872 . . . . 0.0 112.012 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -63.15 -49.37 74.63 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.614 -0.679 . . . . 0.0 111.187 171.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -54.44 -49.27 70.4 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.183 1.393 . . . . 0.0 110.973 174.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 28.7 t -54.01 -47.16 71.78 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.855 0.752 . . . . 0.0 111.182 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.69 74.29 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' VAL . . . . . 0.413 HG21 ' CE2' ' D' ' 130' ' ' TYR . 3.0 p -64.1 -52.86 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.275 0 CA-C-N 120.191 1.359 . . . . 0.0 111.625 176.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -73.98 -31.2 62.88 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.133 -0.979 . . . . 0.0 112.996 -171.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.64 -37.06 81.9 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 120.524 1.511 . . . . 0.0 112.019 172.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -40.07 94.05 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.625 -0.672 . . . . 0.0 110.824 169.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -54.53 -45.86 73.46 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.019 0.827 . . . . 0.0 111.522 170.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.21 -26.88 56.93 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.825 1.679 . . . . 0.0 115.461 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -101.53 -13.09 18.03 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.781 1.291 . . . . 0.0 113.524 172.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.446 HG22 HG12 ' D' ' 23' ' ' VAL . 0.4 OUTLIER -59.48 137.52 21.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.611 1.164 . . . . 0.0 112.07 -173.502 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -87.43 82.19 7.6 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.75 0.82 . . . . 0.0 108.83 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 62.0 t -53.01 -39.41 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 C-N-CA 124.114 0.966 . . . . 0.0 113.366 -170.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.28 -6.07 49.83 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -122.29 -51.74 1.97 Allowed 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.326 -1.484 . . . . 0.0 110.842 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . 0.446 HG12 HG22 ' D' ' 18' ' ' VAL . 0.3 OUTLIER -60.53 -29.49 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 119.438 1.017 . . . . 0.0 112.506 170.339 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.79 -42.36 46.43 Favored Glycine 0 N--CA 1.472 1.056 0 O-C-N 121.004 -1.06 . . . . 0.0 112.055 173.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.83 -41.17 99.6 Favored Glycine 0 N--CA 1.472 1.045 0 CA-C-N 117.959 0.879 . . . . 0.0 112.51 171.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -64.11 -39.63 94.47 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.978 1.311 . . . . 0.0 111.854 171.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.25 -53.98 44.56 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 120.191 1.36 . . . . 0.0 110.469 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 mp -61.8 -42.4 98.96 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.107 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -52.6 -63.07 5.25 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 119.585 1.084 . . . . 0.0 112.517 171.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 16.7 ttt-85 -47.94 -36.57 12.66 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.987 1.715 . . . . 0.0 113.515 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 tp -69.75 -62.24 1.46 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.651 1.18 . . . . 0.0 110.453 169.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mt -65.1 -12.99 56.82 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.532 1.133 . . . . 0.0 113.599 -170.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' VAL . . . . . 0.458 ' C ' ' H ' ' D' ' 35' ' ' TYR . 17.7 m -98.62 -4.14 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 176.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.86 8.33 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 CA-C-N 122.589 2.45 . . . . 0.0 112.601 168.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' TYR . . . . . 0.458 ' H ' ' C ' ' D' ' 33' ' ' VAL . 3.7 t80 44.65 41.99 0.85 Allowed Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 126.614 1.966 . . . . 0.0 113.727 -158.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -75.8 175.26 11.53 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.84 1.694 . . . . 0.0 110.501 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -55.65 -22.48 23.09 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 166.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -21.8 66.13 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 119.413 -2.054 . . . . 0.0 113.511 178.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -56.3 -23.27 35.73 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 171.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -55.03 -23.03 17.71 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 115.405 1.632 . . . . 0.0 115.405 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.74 5.64 45.09 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 175.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.81 -26.06 9.01 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.081 -1.637 . . . . 0.0 115.329 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.19 -34.5 68.55 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 173.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 78.2 p -90.26 -5.27 56.52 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.707 1.139 . . . . 0.0 112.996 172.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -107.12 -2.58 20.81 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.924 1.29 . . . . 0.0 113.526 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.34 -123.7 30.09 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-N 121.049 1.749 . . . . 0.0 113.045 175.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.51 111.99 2.28 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.537 0.735 . . . . 0.0 111.351 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 tt -146.33 -24.56 0.43 Allowed 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 24.7 p -60.65 -4.29 0.9 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 116.612 2.078 . . . . 0.0 116.612 -171.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 6.5 p -143.02 163.67 36.48 Favored Pre-proline 0 N--CA 1.475 0.792 0 C-N-CA 126.646 1.978 . . . . 0.0 109.766 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -57.86 -53.42 4.44 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 122.032 1.822 . . . . 0.0 112.267 175.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -62.95 -27.91 69.72 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.648 1.179 . . . . 0.0 113.187 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.09 -64.4 0.87 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.635 0.652 . . . . 0.0 111.053 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 p -67.88 -37.49 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -169.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.89 -26.06 63.07 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.85 -25.02 10.05 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 123.726 0.679 . . . . 0.0 114.789 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 57' ' ' ASN . . . . . 0.439 ' ND2' ' H ' ' D' ' 60' ' ' VAL . 9.5 t30 -62.16 120.52 58.87 Favored Pre-proline 0 CA--C 1.555 1.153 0 C-N-CA 124.888 1.275 . . . . 0.0 114.057 -172.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -50.7 -45.87 33.04 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 124.389 3.392 . . . . 0.0 115.531 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -62.99 -34.84 78.38 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.023 0.929 . . . . 0.0 112.899 -175.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 60' ' ' VAL . . . . . 0.439 ' H ' ' ND2' ' D' ' 57' ' ' ASN . 74.4 t -65.04 -45.04 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 124.422 1.089 . . . . 0.0 110.282 171.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -40.55 89.21 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 118.463 0.574 . . . . 0.0 112.292 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.29 99.17 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.43 1.092 . . . . 0.0 113.11 171.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -62.41 -37.56 86.27 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.661 -1.274 . . . . 0.0 112.278 169.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.7 -51.38 33.57 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.476 1.036 . . . . 0.0 113.059 166.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -57.52 -38.19 74.26 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 118.174 0.987 . . . . 0.0 113.246 173.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -69.8 -54.45 13.58 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 118.049 -0.977 . . . . 0.0 112.995 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 m -60.51 -41.92 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 120.416 1.462 . . . . 0.0 112.119 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . 0.414 ' HA ' ' CD2' ' D' ' 71' ' ' PHE . 3.8 tt -78.77 -33.59 46.28 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.248 -0.908 . . . . 0.0 111.461 -176.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.59 -41.33 89.17 Favored Glycine 0 CA--C 1.535 1.293 0 O-C-N 121.362 -0.836 . . . . 0.0 112.34 166.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.21 95.72 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 117.877 0.838 . . . . 0.0 112.543 170.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . 0.414 ' CD2' ' HA ' ' D' ' 68' ' ' LEU . 9.0 m-30 -58.82 -35.44 72.89 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 120.41 -1.432 . . . . 0.0 112.111 171.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -41.29 81.23 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.85 0.86 . . . . 0.0 113.065 172.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -57.24 -32.61 66.73 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.968 0.804 . . . . 0.0 111.641 170.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.11 -65.93 3.06 Favored Glycine 0 C--N 1.339 0.739 0 C-N-CA 123.643 0.64 . . . . 0.0 111.622 166.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.1 mt -52.5 -32.68 41.35 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.91 -26.66 59.8 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.735 1.614 . . . . 0.0 115.103 176.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -144.67 45.84 1.38 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.326 1.45 . . . . 0.0 112.351 -169.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 93.8 mt -58.78 -23.48 60.25 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -63.37 -21.27 66.18 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.344 1.058 . . . . 0.0 113.704 173.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -92.67 -68.04 0.82 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.47 0.708 . . . . 0.0 111.939 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 49.01 -17.07 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 118.488 2.773 . . . . 0.0 118.488 -168.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -97.43 -65.91 0.93 Allowed 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 120.587 1.54 . . . . 0.0 110.091 172.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.89 -32.48 70.43 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.001 0.81 . . . . 0.0 114.896 -176.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.67 -26.58 65.38 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.312 1.445 . . . . 0.0 114.077 174.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -115.78 -11.68 11.57 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -173.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.36 -40.73 50.15 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -171.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 20.3 p -66.72 -33.99 76.87 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.35 1.06 . . . . 0.0 113.014 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 41.3 mt -74.84 -38.54 61.97 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 124.157 0.983 . . . . 0.0 111.737 172.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 2.8 m -64.54 -37.53 87.89 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.852 1.206 . . . . 0.0 111.708 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -55.75 28.4 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.92 1.288 . . . . 0.0 111.535 167.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 26.9 tp -52.94 -58.68 6.12 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.256 1.023 . . . . 0.0 111.301 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -78.05 40.91 0.35 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.195 1.398 . . . . 0.0 112.541 176.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 8.4 t -155.08 -74.71 0.11 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.489 1.116 . . . . 0.0 109.888 165.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -26.87 68.57 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.432 1.493 . . . . 0.0 114.101 -177.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.81 -35.27 9.1 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.885 0.874 . . . . 0.0 111.666 173.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mt -135.73 85.95 2.2 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.803 2.041 . . . . 0.0 109.107 -174.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -53.41 -28.79 31.7 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 6.61 101.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 129.69 3.196 . . . . 0.0 115.229 161.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.15 139.25 96.09 Favored Pre-proline 0 CA--C 1.55 0.958 0 O-C-N 120.561 -1.337 . . . . 0.0 113.636 -164.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 100' ' ' PRO . . . . . 0.415 ' HD3' ' CE2' ' D' ' 145' ' ' TYR . 31.1 Cg_endo -65.76 -16.01 51.49 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.586 2.858 . . . . 0.0 115.359 -168.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -49.39 -38.57 29.27 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.166 -0.959 . . . . 0.0 111.924 163.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.29 -36.99 85.9 Favored 'General case' 0 CA--C 1.553 1.07 0 O-C-N 121.298 -0.876 . . . . 0.0 110.88 177.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -64.0 -47.76 79.05 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.624 1.102 . . . . 0.0 111.301 172.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -56.53 -50.31 72.23 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.707 0.803 . . . . 0.0 110.443 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 74.7 mt -57.79 -47.0 83.8 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.16 0.984 . . . . 0.0 112.337 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.16 -36.79 75.91 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.722 0.692 . . . . 0.0 111.82 176.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.02 -51.85 41.89 Favored Glycine 0 N--CA 1.469 0.838 0 O-C-N 121.136 -0.977 . . . . 0.0 114.159 171.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -53.26 -27.94 25.12 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.867 0.867 . . . . 0.0 112.767 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 7.7 t -81.12 -47.76 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 124.524 1.13 . . . . 0.0 113.377 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 12.1 tp -48.39 -53.51 17.38 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.528 1.058 . . . . 0.0 110.434 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 111' ' ' VAL . . . . . 0.62 HG11 ' HB3' ' D' ' 130' ' ' TYR . 5.2 m -59.19 -25.3 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -174.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 112' ' ' CYS . . . . . 0.409 ' HA ' HG21 ' C' ' 107' ' ' VAL . 79.5 m -77.63 -40.15 42.84 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.405 -0.809 . . . . 0.0 112.796 174.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 17.0 m -73.85 -28.93 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 119.698 1.135 . . . . 0.0 113.039 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 114' ' ' LEU . . . . . 0.437 ' CD2' ' CZ ' ' D' ' 130' ' ' TYR . 8.4 mp -64.27 -46.23 84.58 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 119.142 0.883 . . . . 0.0 110.398 170.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.06 -34.27 73.2 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.248 0.832 . . . . 0.0 113.248 172.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -60.12 -53.07 62.15 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.912 1.233 . . . . 0.0 111.425 171.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -69.2 -23.67 63.94 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -176.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -131.4 49.21 2.34 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.095 1.758 . . . . 0.0 110.997 -174.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.2 -21.65 66.36 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 115.761 1.064 . . . . 0.0 115.761 -169.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -81.48 -1.85 47.51 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.314 1.057 . . . . 0.0 112.378 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.45 3.71 3.92 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.612 1.965 . . . . 0.0 113.491 -173.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.21 30.1 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 129.389 3.076 . . . . 0.0 118.299 -178.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 123' ' ' THR . . . . . 0.554 ' HG1' ' H ' ' D' ' 126' ' ' VAL . 7.5 p -51.04 153.11 3.32 Favored Pre-proline 0 N--CA 1.479 0.989 0 C-N-CA 124.398 1.079 . . . . 0.0 113.446 -166.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -46.08 -48.99 11.96 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 122.647 2.231 . . . . 0.0 114.1 172.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.95 -26.17 22.29 Favored 'Trans proline' 0 C--N 1.356 0.93 0 CA-C-O 116.757 -1.435 . . . . 0.0 114.465 174.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 126' ' ' VAL . . . . . 0.554 ' H ' ' HG1' ' D' ' 123' ' ' THR . 9.9 t -58.91 -52.95 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 CA-C-N 122.822 2.555 . . . . 0.0 111.442 172.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 127' ' ' GLN . . . . . 0.434 ' HG3' HG22 ' C' ' 107' ' ' VAL . 1.1 tm0? -62.35 -47.05 85.91 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.481 0.312 . . . . 0.0 110.534 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.24 -37.88 89.07 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.83 -50.16 65.62 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.236 1.014 . . . . 0.0 110.323 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 130' ' ' TYR . . . . . 0.62 ' HB3' HG11 ' D' ' 111' ' ' VAL . 6.4 m-85 -51.96 -46.2 64.7 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.236 0.471 . . . . 0.0 111.763 167.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -63.51 -35.62 81.05 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 117.748 -1.12 . . . . 0.0 113.817 177.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -67.22 -40.23 86.36 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 121.701 2.046 . . . . 0.0 113.165 173.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 4.5 p -67.38 -43.93 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 CA-C-N 120.281 1.401 . . . . 0.0 111.745 171.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 26.2 t -73.41 -29.82 28.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 119.29 0.95 . . . . 0.0 112.946 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.3 -45.53 90.92 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 120.746 1.612 . . . . 0.0 111.687 169.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -54.96 -45.33 81.49 Favored Glycine 0 N--CA 1.473 1.109 0 O-C-N 121.979 -0.451 . . . . 0.0 112.202 168.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.59 -44.28 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.276 1.03 . . . . 0.0 113.284 176.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.24 -44.48 96.46 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.327 -0.858 . . . . 0.0 110.554 177.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -64.18 -35.78 81.9 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.407 0.683 . . . . 0.0 112.255 174.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.65 -47.45 72.47 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.678 0.791 . . . . 0.0 112.171 175.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.73 -38.23 84.4 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.581 1.082 . . . . 0.0 111.12 172.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.72 -6.34 20.43 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 172.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -59.49 -36.2 75.58 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 119.518 -1.989 . . . . 0.0 113.491 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -67.68 -4.18 11.35 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 174.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 145' ' ' TYR . . . . . 0.415 ' CE2' ' HD3' ' D' ' 100' ' ' PRO . 2.2 m-85 -95.61 11.03 34.64 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.334 1.854 . . . . 0.0 111.798 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.257 1.492 0 C-N-CA 127.924 2.49 . . . . 0.0 115.269 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.511 2.607 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -137.72 -177.19 4.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 119.522 -1.986 . . . . 0.0 113.03 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.04 -163.33 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.197 0 C-N-CA 126.267 1.827 . . . . 0.0 112.02 176.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -102.82 -38.79 0.02 OUTLIER 'Trans proline' 0 CA--C 1.546 1.116 0 C-N-CA 123.088 2.525 . . . . 0.0 115.074 169.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.68 -32.17 71.79 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 120.613 -1.305 . . . . 0.0 112.774 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -59.27 -48.64 80.86 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 125.006 1.322 . . . . 0.0 112.698 166.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -55.57 -49.08 73.67 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.035 0.834 . . . . 0.0 109.969 174.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.6 m -55.56 -50.23 70.6 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.648 0.779 . . . . 0.0 112.327 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.408 ' HB2' ' HG ' ' A' ' 124' ' ' SER . 94.2 m-20 -61.39 -39.77 91.91 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 118.592 0.633 . . . . 0.0 112.258 176.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.5 t -65.18 -44.19 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 123.954 0.901 . . . . 0.0 111.439 175.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -61.66 -46.16 90.93 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.551 1.068 . . . . 0.0 111.27 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.71 -52.8 63.93 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.392 0.677 . . . . 0.0 111.209 175.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.42 -51.53 69.04 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.523 1.129 . . . . 0.0 111.879 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -66.26 -27.46 67.96 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.329 -0.857 . . . . 0.0 113.095 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.77 -41.63 94.05 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.215 0.912 . . . . 0.0 112.986 167.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -69.43 -35.2 75.47 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 118.306 1.053 . . . . 0.0 111.847 171.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.408 HG11 ' HB2' ' A' ' 21' ' ' ALA . 86.3 t -65.69 -27.05 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 125.054 1.342 . . . . 0.0 113.765 177.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -35.87 123.06 0.69 Allowed Glycine 0 CA--C 1.541 1.715 0 C-N-CA 125.159 1.361 . . . . 0.0 114.394 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 78.85 -39.24 0.23 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 129.19 2.996 . . . . 0.0 114.539 -173.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -75.33 -17.42 60.26 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.341 1.056 . . . . 0.0 113.607 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.572 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -38.67 -54.35 1.56 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 127.144 2.177 . . . . 0.0 114.552 -178.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.36 -32.49 65.04 Favored Glycine 0 N--CA 1.467 0.705 0 O-C-N 121.641 -0.662 . . . . 0.0 114.149 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -59.27 -45.89 90.0 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.896 0.878 . . . . 0.0 109.531 170.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.519 ' HA ' HG21 ' A' ' 108' ' ' THR . 13.1 m-30 -65.99 -39.89 90.72 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.63 -47.0 93.33 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 123.308 0.48 . . . . 0.0 112.648 171.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.5 -45.73 90.85 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 117.979 0.889 . . . . 0.0 112.12 176.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -41.2 97.91 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 123.231 0.613 . . . . 0.0 112.301 174.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.21 -45.92 89.44 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.34 0.518 . . . . 0.0 112.048 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.3 mt -56.12 -54.41 45.43 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.063 0.945 . . . . 0.0 111.046 175.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -58.14 -41.0 82.78 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 122.838 0.455 . . . . 0.0 111.86 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.4 ttm105 -61.34 -35.3 77.03 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 117.222 -1.37 . . . . 0.0 113.031 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.3 mtm -61.24 -45.91 92.58 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.58 1.536 . . . . 0.0 111.56 171.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -66.43 -15.76 63.58 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -111.34 -22.76 11.17 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.845 1.258 . . . . 0.0 113.248 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 82.1 p -80.08 -36.28 35.75 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.027 1.285 . . . . 0.0 113.59 171.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -130.77 80.45 69.74 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 127.614 2.366 . . . . 0.0 109.219 -175.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.38 -17.09 3.84 Favored 'Trans proline' 0 CA--C 1.545 1.045 0 C-N-CA 123.784 2.989 . . . . 0.0 115.695 175.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.5 p -54.9 -30.26 57.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.254 1.422 . . . . 0.0 114.178 165.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.5 p -63.88 -39.31 93.88 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 120.853 1.661 . . . . 0.0 111.43 174.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -56.2 -37.7 70.0 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.724 1.61 . . . . 0.0 112.671 -176.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.19 -24.55 66.41 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 177.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -67.84 -12.44 60.63 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.229 -0.92 . . . . 0.0 112.525 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 32.5 57.54 1.33 Allowed Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 127.232 2.213 . . . . 0.0 112.892 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -77.8 64.0 8.13 Favored 'Trans proline' 0 CA--C 1.545 1.034 0 C-N-CA 124.217 3.278 . . . . 0.0 112.575 -162.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.291 3.4 p-80 49.45 20.55 0.48 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 128.737 2.815 . . . . 0.0 116.036 -168.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -111.74 149.2 32.01 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.163 1.385 . . . . 0.0 112.151 -173.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.27 -18.58 6.77 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.079 1.752 . . . . 0.0 113.402 -173.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt 51.71 38.25 22.37 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.704 1.601 . . . . 0.0 113.745 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.8 p -67.44 22.48 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 128.169 2.588 . . . . 0.0 116.898 -172.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.0 m80 73.36 114.23 0.06 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 128.646 2.778 . . . . 0.0 112.912 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.85 25.8 70.83 Favored Glycine 0 CA--C 1.539 1.552 0 O-C-N 121.512 -0.743 . . . . 0.0 113.978 -174.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.4 p -64.98 142.09 58.56 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.242 1.017 . . . . 0.0 113.412 -169.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.83 -33.27 75.31 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.546 -0.721 . . . . 0.0 112.718 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.48 -40.86 98.23 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.15 -44.42 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 119.864 1.211 . . . . 0.0 111.351 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -44.59 95.81 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.693 0.678 . . . . 0.0 112.068 174.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.22 -51.55 58.15 Favored Glycine 0 N--CA 1.471 1.012 0 C-N-CA 123.933 0.777 . . . . 0.0 112.366 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -58.63 -41.62 86.39 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.861 -0.788 . . . . 0.0 111.757 173.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.6 -49.85 44.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 121.537 -0.727 . . . . 0.0 113.222 170.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.1 -44.45 87.64 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 118.292 1.046 . . . . 0.0 112.256 173.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -59.4 -54.28 48.52 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.591 1.087 . . . . 0.0 111.941 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.2 t -53.79 -41.86 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.983 0.913 . . . . 0.0 110.943 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.572 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -65.91 -45.45 81.89 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 176.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -61.69 -35.69 78.73 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.057 1.299 . . . . 0.0 112.295 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.07 -43.72 98.23 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.435 -0.79 . . . . 0.0 112.405 169.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.97 -43.2 86.33 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.304 170.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.4 m -59.15 -45.56 90.66 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 119.866 1.212 . . . . 0.0 111.86 173.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -34.34 78.17 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.625 1.102 . . . . 0.0 111.802 177.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.64 79.88 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.461 -0.781 . . . . 0.0 111.05 169.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.8 t -56.89 -45.46 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 120.122 1.328 . . . . 0.0 111.449 174.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.6 -25.37 67.3 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -141.08 31.51 1.77 Allowed 'General case' 0 C--O 1.219 -0.533 0 C-N-CA 124.196 0.999 . . . . 0.0 112.823 -167.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.2 p -60.99 -16.38 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 119.374 -2.079 . . . . 0.0 115.956 -162.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -102.04 -0.42 33.6 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 172.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -130.61 -0.69 4.37 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 128.371 2.668 . . . . 0.0 113.322 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -60.86 -15.92 0.32 Allowed Pre-proline 0 CA--C 1.543 0.686 0 N-CA-C 117.352 2.353 . . . . 0.0 117.352 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -47.17 -30.21 10.24 Favored 'Trans proline' 0 C--N 1.358 1.035 0 CA-C-N 123.788 2.389 . . . . 0.0 115.657 163.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.8 -40.3 16.17 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.198 0.908 . . . . 0.0 113.171 170.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.53 -24.85 61.19 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -175.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 79.3 mt -97.53 2.81 50.56 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.966 1.307 . . . . 0.0 112.569 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.1 m -53.82 -41.02 66.88 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 120.172 1.351 . . . . 0.0 113.871 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.64 -15.7 31.08 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 176.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mt -109.26 -31.3 7.62 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.385 1.874 . . . . 0.0 111.082 -172.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.7 m -56.21 -42.39 77.16 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 119.155 -0.45 . . . . 0.0 110.387 153.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -61.96 -32.31 72.73 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.532 1.06 . . . . 0.0 112.902 172.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.0 -66.09 0.56 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 120.065 1.302 . . . . 0.0 108.762 162.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -61.3 -10.09 6.4 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 -173.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.52 -11.8 7.79 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.677 1.591 . . . . 0.0 114.729 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -134.69 -1.4 2.77 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 120.047 1.294 . . . . 0.0 114.429 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.84 98.77 2.22 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.886 1.274 . . . . 0.0 112.069 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.5 mt 69.78 81.25 0.17 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.442 1.497 . . . . 0.0 111.003 -175.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -63.73 -6.12 5.15 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 116.072 1.878 . . . . 0.0 116.072 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 24.3 t -1.31 114.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 129.904 3.282 . . . . 0.0 115.25 174.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -34.82 123.99 0.55 Allowed Pre-proline 0 CA--C 1.556 1.192 0 C-N-CA 125.125 1.37 . . . . 0.0 112.635 171.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -42.85 -13.12 0.04 OUTLIER 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 124.929 3.753 . . . . 0.0 117.017 168.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.5 p -42.36 -40.73 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 121.223 1.829 . . . . 0.0 112.681 161.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -73.6 -25.42 60.32 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 117.652 -1.166 . . . . 0.0 113.028 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -57.91 -52.69 64.46 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 120.063 1.301 . . . . 0.0 108.885 166.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -55.89 -38.07 69.7 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.004 0.922 . . . . 0.0 111.612 -176.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 77.2 mt -69.58 -48.0 61.68 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 119.01 -0.519 . . . . 0.0 111.405 175.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.85 -42.87 98.68 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 119.307 0.958 . . . . 0.0 112.364 176.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 82.5 p -68.03 -46.01 72.38 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 119.34 0.973 . . . . 0.0 112.298 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -64.72 -44.37 90.41 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.473 1.033 . . . . 0.0 111.835 172.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 62.6 m -62.1 -38.56 89.34 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 118.039 -0.981 . . . . 0.0 112.456 176.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.9 -54.31 47.66 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.763 1.165 . . . . 0.0 110.933 169.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 45.0 mt -50.1 -43.33 51.47 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.698 1.135 . . . . 0.0 111.652 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.77 -42.89 98.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 123.805 0.842 . . . . 0.0 112.399 175.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.519 HG21 ' HA ' ' A' ' 24' ' ' TYR . 3.1 m -63.87 -45.74 88.05 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 120.155 1.343 . . . . 0.0 112.581 171.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 17.8 mt -64.15 -48.51 75.74 Favored 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 123.033 0.533 . . . . 0.0 109.659 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -48.86 -44.45 39.71 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.869 0.868 . . . . 0.0 113.077 171.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.15 -38.5 56.66 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -116.3 -34.83 4.51 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -168.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.1 tt -72.94 125.4 91.13 Favored Pre-proline 0 CA--C 1.544 0.742 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 172.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -70.97 71.93 2.09 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.265 2.644 . . . . 0.0 111.054 171.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.28 11.63 0.22 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.889 2.076 . . . . 0.0 113.403 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 49.53 21.37 0.6 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.354 2.262 . . . . 0.0 113.811 -175.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.7 p90 36.91 27.04 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.468 2.307 . . . . 0.0 115.541 -165.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.86 155.39 91.77 Favored Pre-proline 0 N--CA 1.48 1.03 0 O-C-N 120.696 -1.252 . . . . 0.0 111.69 -173.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -64.88 -46.99 5.5 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.158 1.905 . . . . 0.0 110.951 173.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.22 98.96 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 118.897 -0.573 . . . . 0.0 112.135 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 88.0 t -65.75 -41.96 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-N 120.261 1.392 . . . . 0.0 112.348 -177.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -37.51 87.77 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.447 1.021 . . . . 0.0 112.163 173.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.47 -55.35 36.19 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 117.91 0.323 . . . . 0.0 110.578 171.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.408 ' HG ' ' HB2' ' A' ' 9' ' ' ASN . 15.7 m -56.91 -48.3 78.55 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.572 1.549 . . . . 0.0 112.693 -177.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 75.5 mt -64.62 -43.94 92.11 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.493 0.588 . . . . 0.0 111.949 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.52 -54.86 33.67 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 119.553 1.069 . . . . 0.0 111.985 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -27.84 67.94 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -66.6 -49.97 64.56 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 118.885 0.766 . . . . 0.0 111.38 169.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.92 -32.81 68.13 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.07 -1.019 . . . . 0.0 111.763 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.82 -32.82 73.63 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 171.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 93.1 p -74.1 -42.52 59.98 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 120.061 -1.649 . . . . 0.0 111.281 170.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 95.0 t -53.52 -50.42 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.036 0.934 . . . . 0.0 110.274 174.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.408 ' CB ' ' CD1' ' A' ' 98' ' ' PHE . 96.6 p -66.01 -45.19 82.45 Favored 'General case' 0 C--O 1.227 -0.108 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 177.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 23.2 m -52.35 -44.39 65.18 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.202 0.91 . . . . 0.0 110.511 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 68.1 t -66.83 -47.81 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 122.992 0.517 . . . . 0.0 112.167 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -19.8 63.16 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 177.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 98.2 m -101.68 -2.63 29.85 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.134 2.174 . . . . 0.0 112.139 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.8 p -70.02 175.32 4.53 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.584 -1.322 . . . . 0.0 112.65 175.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -135.68 77.23 1.66 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.931 1.292 . . . . 0.0 110.86 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.8 -155.56 0.63 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.389 1.076 . . . . 0.0 111.567 171.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 . . . . . 0 C--O 1.255 1.364 0 C-N-CA 126.471 1.908 . . . . 0.0 113.09 -166.835 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.332 3.5 p . . . . . 0 N--CA 1.515 2.806 0 CA-C-O 116.909 -1.52 . . . . 0.0 112.92 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 m80 21.86 73.16 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 127.874 2.47 . . . . 0.0 114.527 -175.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.69 160.59 11.35 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.881 0.473 . . . . 0.0 111.41 -176.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p -62.75 150.67 86.48 Favored Pre-proline 0 N--CA 1.481 1.097 0 CA-C-O 118.29 -0.862 . . . . 0.0 109.071 168.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -53.09 -36.94 78.62 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.601 2.201 . . . . 0.0 114.336 173.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -64.34 -47.22 80.21 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.631 1.172 . . . . 0.0 112.16 173.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -72.0 -39.38 69.27 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.267 -0.896 . . . . 0.0 111.813 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.5 -45.3 73.24 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.677 1.191 . . . . 0.0 111.048 168.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.3 t -57.27 -51.64 68.53 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.505 1.048 . . . . 0.0 111.069 171.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.02 -50.09 64.94 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.913 0.885 . . . . 0.0 113.382 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.476 HG21 ' CZ ' ' B' ' 130' ' ' TYR . 7.2 p -69.24 -57.51 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.431 -0.793 . . . . 0.0 112.369 174.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -68.5 -36.35 78.78 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 120.936 -1.103 . . . . 0.0 111.97 -167.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.63 -37.57 85.12 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.121 0.873 . . . . 0.0 112.035 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.53 -41.68 83.96 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.38 -0.825 . . . . 0.0 110.425 173.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -18.51 19.61 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 166.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.03 -34.31 42.47 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.966 1.27 . . . . 0.0 113.787 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.01 -15.15 19.17 Favored 'General case' 0 N--CA 1.483 1.225 0 CA-C-N 118.816 1.308 . . . . 0.0 114.211 174.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.51 142.34 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.527 1.131 . . . . 0.0 112.853 -177.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -91.53 90.45 7.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.076 0.95 . . . . 0.0 108.811 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.38 -38.68 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -167.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -62.1 -47.7 83.45 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 118.74 0.7 . . . . 0.0 112.686 173.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -82.79 -51.15 7.93 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 122.756 0.422 . . . . 0.0 110.967 -169.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.8 -32.56 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.45 -0.781 . . . . 0.0 111.67 172.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.21 -47.43 23.38 Favored Glycine 0 C--N 1.339 0.734 0 CA-C-N 119.216 0.917 . . . . 0.0 111.286 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.87 -38.46 95.39 Favored Glycine 0 N--CA 1.465 0.627 0 CA-C-N 117.807 0.804 . . . . 0.0 113.007 170.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -64.69 -42.32 95.4 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 117.815 -1.088 . . . . 0.0 111.832 170.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.675 ' HA ' HG12 ' B' ' 113' ' ' VAL . . . -65.34 -53.0 50.06 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 121.801 2.091 . . . . 0.0 112.657 178.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 tp -69.31 -34.01 74.04 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 118.503 -0.76 . . . . 0.0 111.245 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.94 -48.93 71.26 Favored Glycine 0 N--CA 1.466 0.675 0 CA-C-N 119.228 0.922 . . . . 0.0 112.082 171.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.06 -37.57 54.16 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 118.776 1.288 . . . . 0.0 111.474 173.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' B' ' 106' ' ' LEU . 23.4 tp -52.46 -45.62 66.17 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.359 1.436 . . . . 0.0 112.216 174.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.656 HD13 HD11 ' B' ' 48' ' ' LEU . 6.9 mt -71.89 -32.78 67.77 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.143 1.777 . . . . 0.0 111.479 -176.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.95 -48.06 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 122.866 0.466 . . . . 0.0 111.633 174.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.27 -43.16 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.745 1.618 . . . . 0.0 110.62 -176.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -123.08 98.87 41.51 Favored Pre-proline 0 CA--C 1.537 0.451 0 C-N-CA 124.29 1.036 . . . . 0.0 110.992 174.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -67.34 -16.54 48.27 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.437 2.091 . . . . 0.0 113.106 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.28 -45.27 68.83 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.652 1.114 . . . . 0.0 110.753 170.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -14.47 9.25 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.485 1.514 . . . . 0.0 113.469 -176.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -53.15 -23.62 8.69 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.525 1.13 . . . . 0.0 113.531 170.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -39.49 64.74 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 121.574 1.988 . . . . 0.0 112.199 174.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -83.64 10.46 9.17 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.04 -15.29 30.58 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 171.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.03 -27.49 19.83 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 118.972 0.805 . . . . 0.0 112.83 172.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -84.44 -41.69 16.38 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.987 0.915 . . . . 0.0 113.367 167.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -68.86 -26.67 65.25 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.45 -43.87 1.88 Allowed Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.523 1.535 . . . . 0.0 116.241 168.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -96.86 -111.87 0.14 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.644 1.222 . . . . 0.0 109.199 171.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.656 HD11 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER 58.19 -8.88 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -177.383 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.21 -15.39 2.3 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.799 2.04 . . . . 0.0 116.147 -169.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' THR . . . . . 0.604 ' HG1' ' H ' ' B' ' 53' ' ' ALA . 18.9 p -139.88 162.08 52.56 Favored Pre-proline 0 N--CA 1.47 0.541 0 C-N-CA 127.351 2.261 . . . . 0.0 109.196 173.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.45 -43.66 55.6 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.726 2.284 . . . . 0.0 113.23 173.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.49 -43.01 99.85 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.451 -0.78 . . . . 0.0 111.829 174.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.604 ' H ' ' HG1' ' B' ' 50' ' ' THR . . . -57.92 -45.05 87.12 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.089 175.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.5 t -50.21 -47.46 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 CA-C-N 119.91 1.232 . . . . 0.0 112.549 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mmt -75.47 -27.86 59.03 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -174.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.69 -6.51 56.26 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.284 0.945 . . . . 0.0 115.164 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.6 112.37 5.17 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 125.929 1.692 . . . . 0.0 112.447 -173.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.94 -41.04 56.87 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.06 2.507 . . . . 0.0 113.625 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -63.4 -36.63 84.36 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.07 -1.019 . . . . 0.0 112.576 174.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 77.8 t -65.88 -36.7 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-N 120.284 1.402 . . . . 0.0 111.899 173.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -63.4 -51.45 65.77 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.211 0.914 . . . . 0.0 111.87 170.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.26 -44.13 97.24 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.24 1.016 . . . . 0.0 113.654 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -71.21 -34.57 70.97 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.272 1.429 . . . . 0.0 111.025 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.53 -43.49 98.79 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.724 1.63 . . . . 0.0 113.127 169.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -56.26 -45.19 80.17 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.203 1.002 . . . . 0.0 111.609 166.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.12 -51.87 67.77 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.216 0.916 . . . . 0.0 112.701 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 10.0 m -58.75 -40.02 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 119.58 1.082 . . . . 0.0 111.611 175.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 tt -71.6 -40.21 69.99 Favored 'General case' 0 C--O 1.223 -0.291 0 O-C-N 121.02 -1.05 . . . . 0.0 112.772 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.16 -40.68 52.39 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.381 0.991 . . . . 0.0 111.394 171.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.23 -49.32 72.39 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 169.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -57.56 -37.31 72.91 Favored 'General case' 0 CA--C 1.556 1.202 0 O-C-N 119.936 -1.728 . . . . 0.0 113.042 174.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 75.1 m -67.07 -46.13 75.23 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.715 1.606 . . . . 0.0 113.355 172.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -57.07 -27.39 61.69 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.844 0.747 . . . . 0.0 111.808 171.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.18 -60.73 7.16 Favored Glycine 0 C--N 1.34 0.787 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 168.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.62 -24.29 55.64 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.82 -15.43 41.99 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.702 1.601 . . . . 0.0 114.597 173.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -149.73 36.68 0.71 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -170.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 88.9 mt -56.66 -18.01 10.78 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.323 1.449 . . . . 0.0 114.672 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -55.01 -38.29 67.71 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.569 1.548 . . . . 0.0 113.496 177.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.9 87.25 0.93 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.587 1.155 . . . . 0.0 111.144 176.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.29 -44.43 96.54 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.778 -0.576 . . . . 0.0 111.735 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -61.19 -15.75 37.43 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 120.574 -1.329 . . . . 0.0 113.864 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.61 -14.59 49.67 Favored Glycine 0 CA--C 1.541 1.719 0 C-N-CA 125.99 1.757 . . . . 0.0 115.647 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.9 m -112.94 -26.59 8.44 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 118.861 1.33 . . . . 0.0 112.306 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -95.02 4.53 53.67 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.665 1.186 . . . . 0.0 113.23 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.1 -38.87 71.32 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.738 1.385 . . . . 0.0 114.738 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 7.2 p -67.28 -35.44 79.48 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.15 -0.969 . . . . 0.0 112.223 173.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 35.3 mt -77.48 -33.39 54.56 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 118.852 -0.594 . . . . 0.0 112.394 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 99.4 p -70.48 -38.4 74.38 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 120.632 1.56 . . . . 0.0 111.853 173.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.64 -47.03 87.2 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.719 -0.613 . . . . 0.0 112.041 166.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 46.9 tp -55.94 -53.81 52.38 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.924 -1.11 . . . . 0.0 111.646 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -80.91 24.45 0.5 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.708 1.203 . . . . 0.0 113.796 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 42.5 t -145.88 -63.0 0.32 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.646 0.778 . . . . 0.0 112.497 169.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.53 -36.19 78.49 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.679 -1.263 . . . . 0.0 113.102 -177.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.28 -35.6 12.36 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 174.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.43 ' C ' ' H ' ' B' ' 98' ' ' VAL . 17.1 mt -136.68 69.26 1.42 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.294 1.838 . . . . 0.0 109.943 -171.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -69.84 26.37 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' VAL . . . . . 0.43 ' H ' ' C ' ' B' ' 96' ' ' LEU . 7.5 p -43.92 150.4 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 126.91 2.084 . . . . 0.0 111.514 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.28 128.46 1.71 Allowed Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 123.448 0.699 . . . . 0.0 112.14 171.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -64.59 -46.22 7.5 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 121.405 1.404 . . . . 0.0 110.943 -172.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.56 -40.26 0.84 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.42 1.888 . . . . 0.0 115.539 -177.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -56.79 -27.0 59.07 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . 0.413 ' CD2' ' HB1' ' B' ' 138' ' ' ALA . 0.0 OUTLIER -55.97 -38.38 70.31 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 120.343 1.429 . . . . 0.0 112.848 170.705 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -86.51 -37.96 17.71 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 125.1 1.36 . . . . 0.0 109.756 -176.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 94.6 mt -59.12 -46.82 87.35 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.901 170.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.471 ' HA ' HD13 ' B' ' 31' ' ' LEU . 5.0 tt -57.74 -45.12 86.26 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.415 1.007 . . . . 0.0 111.484 172.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -56.87 -53.84 41.2 Favored Glycine 0 CA--C 1.532 1.132 0 N-CA-C 115.087 0.795 . . . . 0.0 115.087 172.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.38 -23.81 63.78 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 120.783 -1.422 . . . . 0.0 112.189 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 23.7 t -68.56 -49.02 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 O-C-N 120.96 -1.087 . . . . 0.0 111.09 163.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 48.1 tp -54.43 -48.48 71.62 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 123.789 0.836 . . . . 0.0 110.466 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 3.1 m -60.94 -30.8 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 119.001 0.818 . . . . 0.0 112.278 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 9.1 t -76.59 -41.65 45.5 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.96 0.904 . . . . 0.0 112.253 -174.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . 0.675 HG12 ' HA ' ' B' ' 27' ' ' ALA . 0.1 OUTLIER -62.35 -39.9 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 O-C-N 120.907 -1.121 . . . . 0.0 112.236 172.75 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.65 -44.69 95.63 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.562 1.528 . . . . 0.0 109.193 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.08 -31.25 65.05 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 171.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -50.6 28.02 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.301 0.955 . . . . 0.0 112.682 173.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -74.71 -20.95 59.64 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -175.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -125.25 42.2 3.34 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.778 2.031 . . . . 0.0 110.903 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -53.5 -29.56 39.68 Favored Glycine 0 N--CA 1.474 1.207 0 C-N-CA 124.918 1.247 . . . . 0.0 115.829 -177.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -80.46 -2.23 44.99 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.914 1.286 . . . . 0.0 114.005 174.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -138.2 2.75 2.34 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.066 2.146 . . . . 0.0 113.361 -170.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -71.43 19.79 0.06 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 117.328 2.344 . . . . 0.0 117.328 -168.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 27.0 p -32.58 144.56 0.12 Allowed Pre-proline 0 N--CA 1.486 1.364 0 C-N-CA 127.827 2.451 . . . . 0.0 115.683 -157.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -42.85 -47.17 8.27 Favored 'Trans proline' 0 CA--C 1.552 1.383 0 C-N-CA 122.237 1.958 . . . . 0.0 115.753 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.83 -22.22 23.86 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.328 2.019 . . . . 0.0 115.822 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 1.1 t -51.14 -53.05 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 CA-C-N 121.705 2.048 . . . . 0.0 110.222 170.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -43.99 97.51 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.328 -0.858 . . . . 0.0 111.989 -178.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.32 96.99 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 121.817 -0.552 . . . . 0.0 112.466 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.55 81.25 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.2 0.6 . . . . 0.0 111.045 174.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.476 ' CZ ' HG21 ' B' ' 11' ' ' VAL . 43.0 m-85 -56.52 -49.56 74.39 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 118.485 -0.769 . . . . 0.0 111.702 170.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -54.39 -37.04 64.56 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.722 1.147 . . . . 0.0 113.017 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -71.31 -41.7 69.57 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 120.642 1.565 . . . . 0.0 114.569 177.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 2.9 p -66.22 -43.01 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 CA-C-N 120.64 1.564 . . . . 0.0 111.113 171.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 28.6 t -58.63 -48.55 85.4 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 C-N-CA 124.464 1.106 . . . . 0.0 111.029 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.08 97.71 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.222 1.009 . . . . 0.0 112.158 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.17 -48.39 83.19 Favored Glycine 0 N--CA 1.471 0.982 0 O-C-N 121.76 -0.587 . . . . 0.0 112.978 175.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.11 -42.11 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 118.093 0.946 . . . . 0.0 111.127 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . 0.413 ' HB1' ' CD2' ' B' ' 103' ' ' PHE . . . -58.11 -47.02 84.55 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.341 1.056 . . . . 0.0 110.966 174.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -59.64 -37.79 79.62 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.242 -0.911 . . . . 0.0 112.604 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.64 96.53 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.741 0.701 . . . . 0.0 111.879 171.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.55 -39.78 92.34 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.892 1.223 . . . . 0.0 112.224 174.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.01 -10.01 50.23 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 172.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -60.9 -26.79 67.69 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 120.585 1.539 . . . . 0.0 114.204 -174.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -84.19 -13.34 53.03 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.212 1.005 . . . . 0.0 113.583 173.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -95.55 -33.32 12.45 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.984 1.714 . . . . 0.0 111.928 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.257 1.461 0 C-N-CA 129.797 3.239 . . . . 0.0 117.711 174.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.514 2.747 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -137.73 -177.23 4.71 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 121.552 1.978 . . . . 0.0 112.919 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.01 -163.4 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 126.182 1.793 . . . . 0.0 112.01 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -102.55 -38.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 123.159 2.573 . . . . 0.0 115.135 169.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.63 -32.21 71.92 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.633 -1.292 . . . . 0.0 112.77 -174.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -59.31 -48.65 80.84 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 125.051 1.341 . . . . 0.0 112.63 166.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -55.65 -49.07 73.86 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.042 0.837 . . . . 0.0 109.813 174.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 80.2 m -55.5 -50.12 70.77 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.51 0.724 . . . . 0.0 112.357 176.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . 0.419 ' HB2' ' HG ' ' C' ' 124' ' ' SER . 94.0 m-20 -61.61 -39.57 91.73 Favored 'General case' 0 C--O 1.224 -0.268 0 O-C-N 121.659 -0.65 . . . . 0.0 112.236 176.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 41.5 t -65.32 -44.12 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 124.003 0.921 . . . . 0.0 111.402 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -61.63 -46.22 90.72 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.5 1.045 . . . . 0.0 111.389 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.68 -52.66 64.54 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.26 0.624 . . . . 0.0 111.365 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.54 -51.62 68.72 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.54 1.136 . . . . 0.0 111.787 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -66.37 -27.17 67.66 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.255 -0.903 . . . . 0.0 113.108 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.95 -41.48 94.33 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.339 0.971 . . . . 0.0 112.936 167.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -69.71 -35.0 74.68 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 118.388 1.094 . . . . 0.0 111.792 171.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.411 HG11 ' HB2' ' C' ' 21' ' ' ALA . 87.0 t -65.83 -26.97 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 125.008 1.323 . . . . 0.0 113.706 177.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -35.89 123.0 0.69 Allowed Glycine 0 CA--C 1.54 1.64 0 C-N-CA 125.196 1.379 . . . . 0.0 114.412 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 78.9 -39.29 0.23 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 129.163 2.985 . . . . 0.0 114.611 -173.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -75.37 -17.41 60.23 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.205 1.002 . . . . 0.0 113.608 175.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -38.48 -54.47 1.49 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 127.395 2.278 . . . . 0.0 114.501 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.38 -32.48 64.99 Favored Glycine 0 N--CA 1.466 0.634 0 O-C-N 121.755 -0.591 . . . . 0.0 114.106 -178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -59.31 -45.98 89.82 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.995 0.918 . . . . 0.0 109.489 170.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . 0.526 ' HA ' HG21 ' C' ' 108' ' ' THR . 13.0 m-30 -65.93 -39.88 90.9 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.62 -46.98 93.39 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 123.182 0.42 . . . . 0.0 112.671 171.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.44 -45.77 90.64 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 117.956 0.878 . . . . 0.0 112.076 177.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.09 -41.15 97.9 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.197 0.599 . . . . 0.0 112.326 174.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.12 -45.87 89.96 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.87 -0.519 . . . . 0.0 112.15 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 74.9 mt -56.36 -54.21 48.19 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.147 0.979 . . . . 0.0 110.996 175.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -58.27 -40.79 82.82 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.881 0.472 . . . . 0.0 111.9 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.5 ttm105 -61.58 -35.17 77.05 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 117.337 -1.316 . . . . 0.0 113.017 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 13.3 mtm -61.29 -45.98 92.23 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 120.434 1.47 . . . . 0.0 111.486 171.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -66.45 -15.8 63.61 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -111.27 -22.73 11.22 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.744 1.217 . . . . 0.0 113.336 174.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 82.4 p -80.08 -36.47 35.45 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.894 1.225 . . . . 0.0 113.53 172.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -130.51 80.33 70.43 Favored Pre-proline 0 CA--C 1.541 0.63 0 C-N-CA 127.574 2.35 . . . . 0.0 109.354 -175.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.39 -17.09 3.85 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 123.755 2.97 . . . . 0.0 115.686 175.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 5.6 p -54.61 -31.37 57.01 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.269 1.427 . . . . 0.0 113.987 166.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 12.4 p -63.09 -39.1 93.71 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.779 1.627 . . . . 0.0 111.572 174.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -56.23 -37.54 69.87 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.735 1.614 . . . . 0.0 112.703 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.25 -24.69 66.56 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 177.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -67.73 -12.54 60.75 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.272 -0.893 . . . . 0.0 112.509 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 32.46 57.5 1.32 Allowed Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 127.208 2.203 . . . . 0.0 112.906 -177.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -77.91 64.07 8.2 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 124.243 3.295 . . . . 0.0 112.625 -162.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.29 3.4 p-80 49.45 20.67 0.49 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 128.734 2.814 . . . . 0.0 115.957 -168.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -111.87 149.24 32.12 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.181 1.392 . . . . 0.0 112.075 -173.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.34 -18.53 6.75 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.928 1.691 . . . . 0.0 113.34 -173.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt 51.72 38.08 21.94 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.634 1.574 . . . . 0.0 113.754 175.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 66.4 p -67.28 22.49 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 127.977 2.511 . . . . 0.0 117.003 -172.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 m80 73.48 114.16 0.06 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 128.653 2.781 . . . . 0.0 112.832 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.97 25.64 70.9 Favored Glycine 0 CA--C 1.539 1.583 0 O-C-N 121.535 -0.728 . . . . 0.0 113.988 -174.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 88.0 p -64.96 142.06 58.57 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.382 1.073 . . . . 0.0 113.365 -169.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.94 -33.23 75.24 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.549 -0.719 . . . . 0.0 112.636 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.5 -40.95 98.41 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 95.7 t -71.13 -44.4 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 CA-C-N 119.863 1.21 . . . . 0.0 111.326 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.9 -44.52 95.88 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 118.732 0.696 . . . . 0.0 111.973 174.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.22 -51.64 57.61 Favored Glycine 0 N--CA 1.47 0.962 0 C-N-CA 124.042 0.829 . . . . 0.0 112.32 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -58.65 -41.51 86.21 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.654 -0.91 . . . . 0.0 111.724 174.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.84 -49.68 46.97 Favored Glycine 0 CA--C 1.532 1.117 0 O-C-N 121.537 -0.727 . . . . 0.0 113.277 170.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -44.6 87.39 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.355 1.078 . . . . 0.0 112.159 173.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -59.43 -54.19 49.5 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 119.499 1.045 . . . . 0.0 111.939 175.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 86.3 t -53.77 -42.0 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.112 0.965 . . . . 0.0 110.751 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -65.8 -45.62 81.69 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 176.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -61.6 -35.59 78.28 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 120.098 1.317 . . . . 0.0 112.387 174.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.59 98.47 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.281 -0.887 . . . . 0.0 112.382 169.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.0 -43.21 86.52 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 118.92 -0.562 . . . . 0.0 111.334 170.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 21.1 m -59.12 -45.57 90.56 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.928 1.24 . . . . 0.0 111.877 173.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -34.39 78.3 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.575 1.079 . . . . 0.0 111.824 177.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.65 -48.77 79.32 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.033 169.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 97.1 t -56.79 -45.53 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 120.091 1.314 . . . . 0.0 111.463 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.59 -25.29 67.24 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -141.11 31.65 1.76 Allowed 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 124.236 1.014 . . . . 0.0 112.74 -167.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 6.3 p -61.24 -16.19 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 119.352 -2.093 . . . . 0.0 115.879 -162.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -102.17 -0.27 33.47 Favored 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 172.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -130.82 -0.67 4.25 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 128.216 2.606 . . . . 0.0 113.301 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -60.77 -15.86 0.31 Allowed Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 117.357 2.354 . . . . 0.0 117.357 -177.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -47.51 -29.43 10.31 Favored 'Trans proline' 0 C--N 1.358 1.046 0 CA-C-N 123.667 2.345 . . . . 0.0 115.69 163.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.48 -40.12 15.61 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.231 0.923 . . . . 0.0 113.14 170.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.73 -24.81 61.03 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 80.1 mt -97.35 2.65 50.83 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.975 1.31 . . . . 0.0 112.625 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -53.84 -40.86 66.83 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 120.066 1.303 . . . . 0.0 113.932 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.73 -15.47 29.64 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 175.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mt -109.41 -31.27 7.59 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.399 1.88 . . . . 0.0 111.092 -172.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 14.6 m -56.19 -42.46 77.18 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 119.255 -0.402 . . . . 0.0 110.353 153.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -61.97 -32.09 72.5 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.573 1.079 . . . . 0.0 112.968 172.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.2 -66.1 0.56 Allowed 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.052 1.297 . . . . 0.0 108.716 162.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -61.11 -10.12 5.75 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 -173.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.9 -11.7 7.61 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.667 1.587 . . . . 0.0 114.715 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -134.69 -1.51 2.76 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 120.065 1.302 . . . . 0.0 114.359 175.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.81 98.62 2.21 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.822 1.249 . . . . 0.0 112.092 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 7.6 mt 69.93 81.22 0.17 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.349 1.459 . . . . 0.0 110.942 -175.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -63.63 -6.03 4.81 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 116.148 1.907 . . . . 0.0 116.148 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 24.7 t -1.58 114.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 130.001 3.32 . . . . 0.0 115.216 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -34.81 124.09 0.55 Allowed Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 124.976 1.311 . . . . 0.0 112.783 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -43.0 -13.16 0.04 OUTLIER 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 125.0 3.8 . . . . 0.0 116.965 168.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 5.4 p -42.28 -40.63 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 121.138 1.79 . . . . 0.0 112.808 161.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -73.68 -25.52 60.29 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 117.67 -1.157 . . . . 0.0 113.018 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -57.82 -52.62 64.7 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 120.124 1.329 . . . . 0.0 109.038 166.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -55.9 -38.07 69.71 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.011 0.924 . . . . 0.0 111.623 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 78.2 mt -69.7 -47.86 61.67 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 119.011 -0.519 . . . . 0.0 111.388 175.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.84 -42.94 98.76 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.332 0.969 . . . . 0.0 112.274 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 82.0 p -68.19 -45.95 72.01 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.211 0.914 . . . . 0.0 112.179 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -64.59 -44.44 90.65 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.514 1.052 . . . . 0.0 111.86 172.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 62.9 m -62.09 -38.65 89.65 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.186 -0.946 . . . . 0.0 112.446 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 22.1 mt -59.74 -54.8 42.08 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.705 1.139 . . . . 0.0 110.768 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 46.2 mt -49.45 -43.58 45.05 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.814 1.188 . . . . 0.0 111.746 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.91 -42.82 97.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 123.776 0.83 . . . . 0.0 112.321 175.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 108' ' ' THR . . . . . 0.526 HG21 ' HA ' ' C' ' 24' ' ' TYR . 3.0 m -63.79 -45.89 87.64 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.275 1.398 . . . . 0.0 112.482 171.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.11 -48.48 75.93 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.925 -0.56 . . . . 0.0 109.649 -177.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -48.77 -44.5 38.85 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.97 0.908 . . . . 0.0 113.09 171.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.1 -38.5 56.83 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -116.36 -34.67 4.54 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -168.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 3.1 tt -73.13 125.33 91.03 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 171.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -70.88 71.95 2.04 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.245 2.63 . . . . 0.0 111.128 171.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.23 11.52 0.22 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.832 2.053 . . . . 0.0 113.461 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 49.68 21.23 0.62 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.413 2.285 . . . . 0.0 113.775 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 13.9 p90 36.94 27.08 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.454 2.302 . . . . 0.0 115.572 -165.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.92 155.23 92.25 Favored Pre-proline 0 N--CA 1.479 0.976 0 O-C-N 120.507 -1.37 . . . . 0.0 111.815 -173.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.87 -46.86 5.77 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.076 1.851 . . . . 0.0 110.968 173.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.07 98.93 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 118.939 -0.553 . . . . 0.0 112.092 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 90.4 t -65.94 -41.92 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 120.172 1.351 . . . . 0.0 112.348 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -37.55 87.88 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.351 0.978 . . . . 0.0 112.218 173.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.58 -55.24 37.62 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 117.969 0.349 . . . . 0.0 110.525 171.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 124' ' ' SER . . . . . 0.419 ' HG ' ' HB2' ' C' ' 9' ' ' ASN . 15.8 m -56.97 -48.04 79.33 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.469 1.508 . . . . 0.0 112.74 -177.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.87 -43.94 91.33 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.588 0.631 . . . . 0.0 111.916 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.44 -54.91 33.28 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.548 1.067 . . . . 0.0 112.022 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -27.92 67.96 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -66.42 -49.9 65.21 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.94 0.791 . . . . 0.0 111.442 169.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.15 -32.55 68.29 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.148 -0.97 . . . . 0.0 111.749 174.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.9 -32.91 73.72 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 171.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 93.1 p -74.01 -42.5 60.27 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.125 -1.609 . . . . 0.0 111.301 170.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 94.0 t -53.59 -50.27 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.961 0.904 . . . . 0.0 110.385 173.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 133' ' ' SER . . . . . 0.412 ' CB ' ' CD1' ' C' ' 98' ' ' PHE . 96.1 p -66.17 -45.04 82.31 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 177.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 23.2 m -52.45 -44.38 65.48 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.221 0.919 . . . . 0.0 110.567 175.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.94 -47.53 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 123.012 0.525 . . . . 0.0 112.289 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -19.98 63.19 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 177.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 98.5 m -101.79 -2.56 29.81 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.1 2.16 . . . . 0.0 112.172 177.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 3.9 p -70.1 175.41 4.53 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 120.569 -1.332 . . . . 0.0 112.601 175.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -135.86 77.25 1.65 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.821 1.248 . . . . 0.0 110.813 -178.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.82 -155.57 0.64 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.366 1.066 . . . . 0.0 111.542 171.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 . . . . . 0 C--O 1.255 1.356 0 C-N-CA 126.531 1.932 . . . . 0.0 113.06 -166.866 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.33 3.6 p . . . . . 0 N--CA 1.516 2.839 0 CA-C-O 116.79 -1.576 . . . . 0.0 112.881 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 m80 21.81 73.17 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 127.841 2.456 . . . . 0.0 114.61 -175.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.51 160.55 10.98 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.953 0.501 . . . . 0.0 111.391 -176.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p -62.81 150.82 86.45 Favored Pre-proline 0 N--CA 1.48 1.049 0 CA-C-O 118.297 -0.859 . . . . 0.0 109.071 168.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -53.32 -36.85 80.03 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 122.687 2.258 . . . . 0.0 114.201 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -64.29 -47.35 79.86 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.66 1.184 . . . . 0.0 112.086 173.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -71.94 -39.56 69.35 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 121.183 -0.948 . . . . 0.0 111.746 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -45.3 72.71 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 117.732 -1.127 . . . . 0.0 111.109 168.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 24.2 t -57.18 -51.77 68.0 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.603 1.092 . . . . 0.0 111.085 171.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.05 -49.96 65.28 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' VAL . . . . . 0.474 HG21 ' CZ ' ' D' ' 130' ' ' TYR . 7.3 p -69.37 -57.55 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 121.494 -0.754 . . . . 0.0 112.287 174.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 4.3 m -68.35 -36.38 79.16 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.008 -1.058 . . . . 0.0 111.961 -167.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.68 -37.49 84.86 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.146 0.885 . . . . 0.0 111.992 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.74 -41.64 83.11 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.387 -0.821 . . . . 0.0 110.362 173.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -18.62 19.44 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 166.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.03 -34.08 43.23 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.991 1.281 . . . . 0.0 113.791 174.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.1 -15.24 19.07 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 118.866 1.333 . . . . 0.0 114.189 174.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.61 142.32 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.419 1.088 . . . . 0.0 112.885 -177.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -91.41 90.31 7.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.069 0.948 . . . . 0.0 108.873 177.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.18 -38.76 62.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -167.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -62.17 -47.74 83.15 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.702 0.683 . . . . 0.0 112.562 173.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -82.86 -50.98 8.06 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 122.66 0.384 . . . . 0.0 111.044 -169.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -32.79 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 O-C-N 121.552 -0.718 . . . . 0.0 111.657 172.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.03 -47.32 24.84 Favored Glycine 0 C--N 1.34 0.79 0 CA-C-N 119.18 0.9 . . . . 0.0 111.475 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.0 -38.5 95.61 Favored Glycine 0 N--CA 1.466 0.693 0 CA-C-N 117.774 0.787 . . . . 0.0 112.944 170.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -64.51 -42.49 95.76 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 117.847 -1.073 . . . . 0.0 111.857 170.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' ALA . . . . . 0.676 ' HA ' HG13 ' D' ' 113' ' ' VAL . . . -65.07 -53.15 50.13 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 121.867 2.121 . . . . 0.0 112.693 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.3 -34.05 74.1 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 118.494 -0.765 . . . . 0.0 111.264 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.88 -48.92 71.74 Favored Glycine 0 N--CA 1.465 0.568 0 CA-C-N 119.263 0.938 . . . . 0.0 112.235 171.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.74 -37.68 52.16 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 118.687 1.244 . . . . 0.0 111.591 173.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' D' ' 106' ' ' LEU . 23.4 tp -52.51 -45.63 66.31 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.327 1.421 . . . . 0.0 112.293 175.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . 0.655 HD13 HD11 ' D' ' 48' ' ' LEU . 6.9 mt -71.83 -32.95 68.06 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.116 1.766 . . . . 0.0 111.395 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.79 -48.06 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 118.29 0.496 . . . . 0.0 111.678 174.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.28 -43.06 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.812 1.645 . . . . 0.0 110.607 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -123.32 99.0 40.59 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 124.255 1.022 . . . . 0.0 110.97 174.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -67.44 -16.4 47.5 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.377 2.051 . . . . 0.0 113.102 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -45.26 69.15 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.608 1.094 . . . . 0.0 110.705 170.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.99 -14.34 9.06 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.56 1.544 . . . . 0.0 113.479 -176.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -53.25 -23.63 9.35 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.634 1.174 . . . . 0.0 113.366 170.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -39.63 64.66 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 121.772 2.078 . . . . 0.0 112.112 173.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -83.6 10.36 9.33 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.01 -15.26 29.86 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 171.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -52.82 -27.71 19.44 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 119.078 0.854 . . . . 0.0 112.814 172.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -84.37 -41.8 16.36 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.073 0.949 . . . . 0.0 113.268 167.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -69.07 -26.45 64.96 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.39 -43.92 1.87 Allowed Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.488 1.518 . . . . 0.0 116.348 168.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -96.93 -111.93 0.15 Allowed 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.629 1.214 . . . . 0.0 109.097 171.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 48' ' ' LEU . . . . . 0.655 HD11 HD13 ' D' ' 32' ' ' LEU . 0.0 OUTLIER 58.39 -9.0 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 116.069 1.877 . . . . 0.0 116.069 -177.423 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.29 -15.34 2.37 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.799 2.039 . . . . 0.0 116.204 -169.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 50' ' ' THR . . . . . 0.595 ' HG1' ' H ' ' D' ' 53' ' ' ALA . 19.3 p -140.0 162.14 51.99 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 127.228 2.211 . . . . 0.0 109.092 173.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.47 -43.62 56.01 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.743 2.295 . . . . 0.0 113.192 173.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.42 -43.08 99.68 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.528 -0.733 . . . . 0.0 111.936 174.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . 0.595 ' H ' ' HG1' ' D' ' 50' ' ' THR . . . -57.94 -44.98 87.27 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.071 175.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 38.6 t -50.16 -47.58 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 CA-C-N 119.92 1.236 . . . . 0.0 112.578 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mmt -75.42 -27.8 59.13 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -174.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.75 -6.42 56.24 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.202 0.906 . . . . 0.0 115.205 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.72 112.39 5.25 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 125.88 1.672 . . . . 0.0 112.416 -173.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.91 -41.15 56.21 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.133 2.556 . . . . 0.0 113.611 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -63.4 -36.56 84.13 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.976 -1.077 . . . . 0.0 112.553 174.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.96 -36.73 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 CA-C-N 120.408 1.458 . . . . 0.0 111.813 173.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -63.43 -51.38 65.97 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 119.303 0.956 . . . . 0.0 111.917 170.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.55 96.48 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.45 1.1 . . . . 0.0 113.612 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -70.97 -34.52 71.5 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.38 1.472 . . . . 0.0 111.076 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.59 -43.59 98.76 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 125.826 1.679 . . . . 0.0 113.051 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -56.31 -44.75 80.21 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.277 1.039 . . . . 0.0 111.675 166.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -52.11 66.64 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.261 0.937 . . . . 0.0 112.572 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 9.5 m -58.75 -39.87 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.681 1.128 . . . . 0.0 111.615 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 tt -71.65 -40.33 69.74 Favored 'General case' 0 C--O 1.222 -0.36 0 O-C-N 120.959 -1.088 . . . . 0.0 112.704 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.98 -40.61 50.93 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 124.35 0.976 . . . . 0.0 111.498 171.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.28 -49.46 71.76 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 169.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -57.6 -37.24 72.91 Favored 'General case' 0 CA--C 1.556 1.206 0 O-C-N 119.85 -1.781 . . . . 0.0 113.046 174.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 75.3 m -66.93 -46.26 75.33 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.777 1.631 . . . . 0.0 113.483 172.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -56.9 -27.49 60.8 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.891 0.769 . . . . 0.0 111.86 171.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.24 -60.78 7.07 Favored Glycine 0 C--N 1.34 0.768 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 168.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.62 -24.09 54.59 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.92 -15.46 41.59 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.733 1.613 . . . . 0.0 114.569 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -149.64 36.51 0.72 Allowed 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -170.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 89.0 mt -56.55 -18.11 10.67 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.429 1.492 . . . . 0.0 114.755 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -54.89 -38.35 67.44 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.627 1.571 . . . . 0.0 113.511 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.89 87.25 0.93 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.632 1.173 . . . . 0.0 111.158 176.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.47 -44.32 96.67 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.705 -0.622 . . . . 0.0 111.7 175.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -61.08 -15.9 37.93 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 120.557 -1.339 . . . . 0.0 113.82 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.66 -14.46 49.98 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 126.008 1.766 . . . . 0.0 115.637 176.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.9 m -113.09 -26.38 8.48 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 118.851 1.326 . . . . 0.0 112.403 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -95.23 4.75 53.2 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.563 1.145 . . . . 0.0 113.122 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.23 -38.91 71.73 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 7.1 p -67.22 -35.45 79.6 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.186 -0.947 . . . . 0.0 112.223 173.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 35.8 mt -77.39 -33.54 55.08 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 118.963 -0.541 . . . . 0.0 112.374 176.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 99.5 p -70.43 -38.54 74.57 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 120.491 1.496 . . . . 0.0 111.723 173.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.47 -47.2 86.42 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.031 0.533 . . . . 0.0 112.078 166.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 47.1 tp -55.79 -53.78 52.5 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 120.908 -1.12 . . . . 0.0 111.747 175.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -80.95 24.43 0.5 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.638 1.175 . . . . 0.0 113.831 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 42.5 t -145.73 -63.1 0.33 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.615 0.766 . . . . 0.0 112.46 169.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.56 -36.22 78.47 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.817 -1.177 . . . . 0.0 113.111 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.24 -35.5 12.43 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 174.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . 0.436 ' C ' ' H ' ' D' ' 98' ' ' VAL . 17.1 mt -136.7 69.15 1.42 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.329 1.852 . . . . 0.0 109.986 -172.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -69.68 26.08 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.1 0 O-C-N 120.714 -1.241 . . . . 0.0 114.343 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 98' ' ' VAL . . . . . 0.436 ' H ' ' C ' ' D' ' 96' ' ' LEU . 7.4 p -43.79 150.37 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 126.944 2.098 . . . . 0.0 111.568 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.34 128.38 1.74 Allowed Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 123.535 0.734 . . . . 0.0 112.155 171.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.57 -46.07 7.8 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 121.363 1.375 . . . . 0.0 110.973 -172.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.67 -40.04 0.85 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.381 1.872 . . . . 0.0 115.66 -177.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -56.91 -26.95 60.24 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 103' ' ' PHE . . . . . 0.415 ' CD2' ' HB1' ' D' ' 138' ' ' ALA . 0.0 OUTLIER -56.19 -38.27 70.73 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 120.311 1.414 . . . . 0.0 112.907 170.828 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -86.47 -38.05 17.68 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 125.244 1.418 . . . . 0.0 109.733 -176.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.27 -46.6 88.09 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.906 170.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . 0.469 ' HA ' HD13 ' D' ' 31' ' ' LEU . 5.0 tt -57.74 -45.15 86.22 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.408 1.004 . . . . 0.0 111.517 172.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.02 -53.64 42.98 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 115.029 0.772 . . . . 0.0 115.029 172.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.42 -23.95 63.77 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.668 -1.489 . . . . 0.0 112.195 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 23.5 t -68.68 -48.82 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 121.037 -1.039 . . . . 0.0 111.087 163.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 48.5 tp -54.51 -48.44 71.91 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 123.737 0.815 . . . . 0.0 110.445 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 3.1 m -60.85 -30.89 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 119.068 0.849 . . . . 0.0 112.113 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 9.2 t -76.66 -41.61 44.97 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.003 0.921 . . . . 0.0 112.305 -174.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 113' ' ' VAL . . . . . 0.676 HG13 ' HA ' ' D' ' 27' ' ' ALA . 0.1 OUTLIER -62.35 -40.06 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 O-C-N 120.952 -1.093 . . . . 0.0 112.101 172.791 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -44.87 95.41 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.712 1.597 . . . . 0.0 109.14 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.21 -30.78 64.85 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 171.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.26 -50.43 27.3 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.29 0.95 . . . . 0.0 112.576 173.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -74.81 -20.88 59.6 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.323 0.861 . . . . 0.0 113.323 -175.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -125.32 42.34 3.31 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.736 2.015 . . . . 0.0 110.857 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -53.59 -29.46 40.13 Favored Glycine 0 N--CA 1.476 1.327 0 C-N-CA 124.81 1.195 . . . . 0.0 115.828 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -80.39 -2.25 44.78 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.828 1.251 . . . . 0.0 114.081 174.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -138.11 2.69 2.35 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 127.061 2.145 . . . . 0.0 113.294 -170.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -71.55 20.13 0.06 Allowed 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -168.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 26.9 p -32.69 144.39 0.13 Allowed Pre-proline 0 N--CA 1.487 1.395 0 C-N-CA 127.692 2.397 . . . . 0.0 115.737 -158.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -42.89 -46.88 8.5 Favored 'Trans proline' 0 CA--C 1.55 1.29 0 C-N-CA 122.08 1.854 . . . . 0.0 115.864 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.76 -22.51 23.71 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.397 2.065 . . . . 0.0 115.774 173.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 1.1 t -51.14 -52.9 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 121.647 2.021 . . . . 0.0 110.337 170.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -43.99 97.47 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 121.366 -0.834 . . . . 0.0 112.022 -178.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.35 97.07 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 121.75 -0.594 . . . . 0.0 112.346 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.67 80.77 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.263 0.625 . . . . 0.0 110.905 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 130' ' ' TYR . . . . . 0.474 ' CZ ' HG21 ' D' ' 11' ' ' VAL . 42.8 m-85 -56.6 -49.33 75.26 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 118.469 -0.777 . . . . 0.0 111.73 170.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -54.4 -37.18 64.77 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.741 1.155 . . . . 0.0 112.966 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -71.24 -41.81 69.67 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.613 1.551 . . . . 0.0 114.523 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 2.8 p -66.22 -42.88 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 CA-C-N 120.587 1.54 . . . . 0.0 111.117 171.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 29.0 t -58.66 -48.67 85.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 C-N-CA 124.453 1.101 . . . . 0.0 110.922 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.97 97.9 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.272 1.029 . . . . 0.0 112.138 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.16 -48.57 82.04 Favored Glycine 0 N--CA 1.471 0.974 0 O-C-N 121.741 -0.599 . . . . 0.0 112.882 175.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -42.12 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.118 0.959 . . . . 0.0 111.128 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . 0.415 ' HB1' ' CD2' ' D' ' 103' ' ' PHE . . . -58.1 -47.02 84.5 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.301 1.04 . . . . 0.0 111.057 174.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -59.51 -37.92 79.56 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.328 -0.857 . . . . 0.0 112.699 173.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.35 -43.72 96.9 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.657 0.662 . . . . 0.0 111.988 171.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 15.3 mt -61.47 -39.97 92.84 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.714 1.143 . . . . 0.0 112.197 174.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.95 -9.88 48.86 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 172.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -61.01 -26.68 67.78 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.566 1.53 . . . . 0.0 114.179 -174.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -84.3 -13.25 52.95 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.136 0.975 . . . . 0.0 113.524 173.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -95.58 -33.22 12.47 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.016 1.726 . . . . 0.0 111.923 179.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.254 1.333 0 C-N-CA 129.832 3.253 . . . . 0.0 117.69 174.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.253 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.631 HD13 HG23 ' A' ' 73' ' ' VAL . 1.4 mp -125.53 -134.54 0.26 Allowed 'General case' 0 CA--C 1.56 1.336 0 CA-C-N 122.68 2.491 . . . . 0.0 110.202 -171.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m 124.9 -30.07 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.98 0 C-N-CA 130.863 3.665 . . . . 0.0 117.099 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -57.87 -173.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 124.814 3.676 . . . . 0.0 116.652 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.24 -28.51 1.95 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.596 1.558 . . . . 0.0 114.587 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -57.4 -45.59 84.38 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.34 -0.85 . . . . 0.0 113.023 169.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.46 -49.65 64.23 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 120.368 1.44 . . . . 0.0 109.869 171.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.1 m -57.5 -43.43 84.19 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.764 0.711 . . . . 0.0 111.166 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -63.67 -37.67 88.24 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.629 0.772 . . . . 0.0 112.478 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.19 -47.26 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 119.645 1.111 . . . . 0.0 111.558 171.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -43.98 94.49 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 119.74 1.155 . . . . 0.0 110.855 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.21 -56.48 21.57 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.997 0.919 . . . . 0.0 110.467 173.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.65 -52.49 59.78 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.406 1.082 . . . . 0.0 112.053 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -65.9 -27.04 67.9 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 178.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.98 -38.04 95.41 Favored Glycine 0 CA--C 1.535 1.338 0 O-C-N 121.289 -0.882 . . . . 0.0 112.834 168.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -67.51 -40.51 85.13 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 117.906 0.853 . . . . 0.0 111.311 169.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.5 t -60.35 -48.15 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.187 0.995 . . . . 0.0 112.369 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 35.62 -119.14 0.4 Allowed Glycine 0 CA--C 1.539 1.594 0 C-N-CA 125.115 1.34 . . . . 0.0 114.919 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.1 -25.44 66.22 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 178.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -68.28 -14.56 63.08 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.296 1.039 . . . . 0.0 113.085 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.14 -48.97 4.87 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.977 1.311 . . . . 0.0 113.951 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.26 -31.86 65.83 Favored Glycine 0 C--N 1.338 0.64 0 CA-C-O 118.784 -1.009 . . . . 0.0 113.639 -177.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.26 -41.77 96.78 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.503 1.152 . . . . 0.0 109.995 172.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -67.17 -39.89 86.53 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 120.851 -1.156 . . . . 0.0 113.048 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.49 -48.24 86.0 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-N 118.741 0.701 . . . . 0.0 112.237 172.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.72 -51.6 68.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.308 1.043 . . . . 0.0 111.715 176.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -25.44 66.4 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.877 0.871 . . . . 0.0 113.008 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.78 -43.48 58.81 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.242 0.928 . . . . 0.0 111.725 174.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.5 mt -58.57 -47.92 82.67 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.743 0.817 . . . . 0.0 111.105 174.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -59.54 -48.33 82.06 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 119.274 -0.394 . . . . 0.0 111.633 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.17 -47.35 68.87 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.959 0.904 . . . . 0.0 112.968 172.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 39.6 ttp -58.95 -43.01 91.18 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.517 0.599 . . . . 0.0 111.975 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -59.21 -56.11 26.28 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.808 0.731 . . . . 0.0 111.866 175.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' B' ' 125' ' ' PRO . 4.0 pp -72.61 -23.98 61.01 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -174.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.8 p -82.6 -29.5 30.14 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.892 1.224 . . . . 0.0 113.612 172.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -140.44 67.46 31.07 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 126.085 1.754 . . . . 0.0 110.841 -175.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -61.63 -22.01 73.42 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.882 2.388 . . . . 0.0 114.37 -170.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.7 p -55.59 -33.68 64.14 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.348 1.459 . . . . 0.0 113.318 168.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 t -56.07 -30.54 62.14 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.525 1.13 . . . . 0.0 113.567 175.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -59.49 -30.91 68.89 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.172 1.389 . . . . 0.0 113.022 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 t -61.19 -24.42 66.3 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.537 ' CE1' ' HA ' ' A' ' 93' ' ' VAL . 0.1 OUTLIER -66.3 -15.23 63.07 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 175.01 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -146.52 84.35 7.8 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 124.285 1.034 . . . . 0.0 111.813 175.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -74.01 44.28 0.96 Allowed 'Trans proline' 0 CA--C 1.554 1.494 1 C-N-CA 125.538 4.159 . . . . 0.0 114.295 -174.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -160.55 91.06 0.89 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.689 2.396 . . . . 0.0 108.404 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -176.67 116.34 0.11 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.046 1.338 . . . . 0.0 110.225 167.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.509 ' HB2' HE22 ' A' ' 54' ' ' GLN . 7.2 m-20 -70.08 121.32 17.24 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.23 -0.919 . . . . 0.0 109.593 164.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.4 mt -106.83 25.73 10.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.592 1.157 . . . . 0.0 112.123 -175.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.8 p -57.0 153.33 11.46 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.649 1.18 . . . . 0.0 112.362 175.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -59.44 122.27 13.56 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.652 -0.655 . . . . 0.0 110.599 176.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.98 18.47 72.28 Favored Glycine 0 CA--C 1.539 1.557 0 CA-C-O 118.931 -0.927 . . . . 0.0 114.923 -175.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -47.18 123.15 5.11 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.081 1.44 . . . . 0.0 113.61 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.68 -18.08 61.74 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.449 1.099 . . . . 0.0 113.639 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.509 HE22 ' HB2' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -89.57 -41.54 11.94 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.405 1.002 . . . . 0.0 111.702 173.517 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.1 t -63.12 -38.48 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 O-C-N 121.425 -0.797 . . . . 0.0 111.461 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.79 -41.63 97.97 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 119.355 0.979 . . . . 0.0 113.512 171.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.28 -42.38 50.08 Favored Glycine 0 N--CA 1.474 1.215 0 C-N-CA 124.026 0.822 . . . . 0.0 112.386 -177.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -61.68 -44.22 97.36 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.858 -0.789 . . . . 0.0 110.694 168.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -49.92 -52.78 24.84 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 121.121 -0.987 . . . . 0.0 113.685 172.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -55.5 -35.67 65.84 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 118.858 1.329 . . . . 0.0 113.037 174.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -70.84 -49.75 42.86 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.431 1.093 . . . . 0.0 113.539 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 49.0 t -54.65 -41.13 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 O-C-N 120.923 -1.111 . . . . 0.0 110.729 171.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.51 -49.96 75.45 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -34.68 75.09 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 120.377 1.444 . . . . 0.0 111.845 177.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.85 97.96 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 170.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.56 -43.11 97.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 118.023 -0.989 . . . . 0.0 111.3 171.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.4 m -56.38 -49.02 75.67 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.554 1.524 . . . . 0.0 111.921 170.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -29.76 70.18 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.504 1.502 . . . . 0.0 112.439 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.55 -50.43 51.98 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 118.899 0.772 . . . . 0.0 110.961 170.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.0 t -58.19 -43.41 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 120.059 1.3 . . . . 0.0 111.423 177.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.85 -24.72 67.93 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.018 1.327 . . . . 0.0 113.593 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -138.68 34.02 2.22 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 124.26 1.024 . . . . 0.0 111.142 -173.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.631 HG23 HD13 ' A' ' 2' ' ' LEU . 5.9 p -57.58 -20.5 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 O-C-N 120.719 -1.238 . . . . 0.0 113.712 -167.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -111.38 -0.69 16.23 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.538 1.535 . . . . 0.0 114.379 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.77 23.2 5.0 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 129.405 3.082 . . . . 0.0 110.162 -172.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -109.12 30.02 0.08 OUTLIER Pre-proline 0 CA--C 1.547 0.827 0 C-N-CA 125.895 1.678 . . . . 0.0 114.577 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -64.85 -22.82 63.01 Favored 'Trans proline' 0 C--N 1.355 0.885 0 CA-C-N 123.657 2.342 . . . . 0.0 113.268 -174.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.88 5.94 2.4 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.293 1.437 . . . . 0.0 113.527 175.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -27.06 66.48 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.001 -1.687 . . . . 0.0 113.303 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.6 mt -93.17 5.42 51.56 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.056 0.942 . . . . 0.0 112.01 173.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.6 m -60.85 -36.97 80.51 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 120.14 1.336 . . . . 0.0 113.742 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.5 -32.38 70.22 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.893 1.224 . . . . 0.0 112.291 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.76 -44.64 48.67 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.771 0.828 . . . . 0.0 110.061 173.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.7 t -54.46 -44.05 72.21 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.12 0.418 . . . . 0.0 111.63 172.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -60.14 -42.07 94.07 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.636 -1.29 . . . . 0.0 112.759 175.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tp -59.15 -59.38 5.55 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.646 -1.284 . . . . 0.0 111.4 170.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -69.76 -28.58 65.89 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.235 -0.915 . . . . 0.0 113.275 -173.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.08 -14.11 18.73 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.577 1.551 . . . . 0.0 114.167 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -124.99 -48.86 1.74 Allowed 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.701 1.137 . . . . 0.0 113.518 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -67.87 -34.71 77.21 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 119.897 1.226 . . . . 0.0 112.217 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.9 mt -118.78 -26.17 6.15 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.441 ' HE ' ' HA ' ' D' ' 40' ' ' ARG 0.327 1.3 mtt-85 42.1 53.18 4.35 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 127.806 2.442 . . . . 0.0 114.156 -170.843 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.537 ' HA ' ' CE1' ' A' ' 42' ' ' TYR . 72.1 t -76.84 125.89 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 127.361 2.265 . . . . 0.0 112.317 177.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -51.55 125.55 28.09 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 125.371 1.468 . . . . 0.0 111.052 164.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -39.41 -23.98 0.1 Allowed 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 124.806 3.671 . . . . 0.0 116.775 168.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.5 p -46.11 -42.02 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 120.494 1.497 . . . . 0.0 113.148 171.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -65.39 -33.77 76.73 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.171 -0.955 . . . . 0.0 112.537 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -55.97 -47.34 77.83 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 119.377 0.99 . . . . 0.0 109.178 171.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -56.09 -43.45 78.04 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.786 0.721 . . . . 0.0 110.356 -176.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.0 mt -63.02 -55.03 29.17 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.085 0.954 . . . . 0.0 111.008 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 23.3 tp -56.17 -43.23 78.18 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.482 0.713 . . . . 0.0 112.606 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.4 t -66.53 -44.45 82.42 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.382 1.473 . . . . 0.0 112.828 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -57.01 -46.98 81.93 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.596 -0.69 . . . . 0.0 111.22 169.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 74.4 m -65.55 -33.89 76.98 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 118.522 -0.751 . . . . 0.0 112.891 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.84 -50.78 70.89 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 119.708 1.14 . . . . 0.0 110.866 167.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.8 mt -53.0 -40.58 63.91 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 120.181 1.355 . . . . 0.0 112.038 175.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.5 t -60.8 -53.23 51.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 118.881 -0.58 . . . . 0.0 112.423 171.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.2 p -68.57 -42.09 78.77 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.601 1.091 . . . . 0.0 112.413 -175.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -55.35 -61.69 2.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.106 -0.949 . . . . 0.0 108.821 170.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -50.87 -38.66 50.74 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.851 1.205 . . . . 0.0 112.937 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.31 -23.26 57.28 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 117.522 2.415 . . . . 0.0 117.522 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -127.02 -41.55 1.79 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.72 1.146 . . . . 0.0 112.929 -173.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.57 123.08 83.56 Favored Pre-proline 0 CA--C 1.545 0.761 0 N-CA-C 107.513 -1.292 . . . . 0.0 107.513 168.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.436 ' C ' ' H ' ' A' ' 116' ' ' GLU . 86.4 Cg_endo -70.87 75.65 1.66 Allowed 'Trans proline' 0 CA--C 1.537 0.668 0 C-N-CA 123.057 2.505 . . . . 0.0 110.292 171.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.76 10.17 0.22 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.004 1.322 . . . . 0.0 112.672 174.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 114' ' ' PRO . 41.4 mm-40 42.67 25.78 0.05 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.751 2.42 . . . . 0.0 113.016 -164.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 21.2 p90 39.01 14.36 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.812 2.445 . . . . 0.0 116.564 -162.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.78 155.32 82.98 Favored Pre-proline 0 N--CA 1.472 0.658 0 CA-C-N 120.001 1.273 . . . . 0.0 111.869 -161.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.453 ' HA ' HG23 ' B' ' 33' ' ' VAL . 63.6 Cg_endo -63.02 -45.8 11.9 Favored 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 121.282 1.321 . . . . 0.0 110.855 175.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.79 -24.73 66.99 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.861 -1.149 . . . . 0.0 113.471 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.8 t -86.96 -37.47 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 CA-C-N 119.959 1.254 . . . . 0.0 112.721 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -66.98 -35.46 80.0 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 120.086 -1.634 . . . . 0.0 111.574 169.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.82 -53.51 57.36 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 118.766 -0.635 . . . . 0.0 110.424 169.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.2 p -58.91 -47.0 86.57 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.37 -44.05 95.88 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.511 -0.757 . . . . 0.0 111.774 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.26 -56.48 12.5 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 120.291 1.405 . . . . 0.0 111.855 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -33.53 70.32 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.127 0.421 . . . . 0.0 111.464 -177.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -66.91 -54.5 21.48 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 118.449 -0.786 . . . . 0.0 111.26 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.84 -37.21 70.96 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.692 0.678 . . . . 0.0 111.085 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.24 -30.51 71.15 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 171.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.5 m -81.34 -37.25 28.61 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 120.275 -1.516 . . . . 0.0 112.481 170.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.2 t -52.16 -50.98 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 119.363 0.983 . . . . 0.0 108.796 169.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.0 p -63.75 -48.79 75.56 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-O 117.05 -1.452 . . . . 0.0 113.025 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 52.3 m -51.53 -38.15 52.84 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 121.039 1.745 . . . . 0.0 112.158 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 58.6 t -71.11 -48.92 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 O-C-N 121.065 -1.022 . . . . 0.0 111.184 172.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -3.26 1.97 Allowed 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 44.1 p -126.37 3.46 6.99 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 127.276 2.23 . . . . 0.0 111.267 176.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.0 t -56.91 147.59 23.24 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.156 1.382 . . . . 0.0 111.429 171.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -128.51 104.32 7.62 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.283 1.433 . . . . 0.0 109.006 -171.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -68.68 -34.34 75.51 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 . . . . . 0 C--O 1.25 1.128 0 C-N-CA 124.058 0.943 . . . . 0.0 111.475 173.11 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.288 2.2 p . . . . . 0 N--CA 1.516 2.841 0 CA-C-O 117.93 -1.033 . . . . 0.0 113.041 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 35.62 80.72 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 127.759 2.424 . . . . 0.0 116.084 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.3 159.06 15.85 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.086 -1.009 . . . . 0.0 111.996 177.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.5 141.85 93.65 Favored Pre-proline 0 N--CA 1.478 0.971 0 CA-C-O 117.941 -1.028 . . . . 0.0 109.632 168.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -47.63 -43.85 27.24 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.453 3.435 . . . . 0.0 116.387 -175.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.5 -39.94 94.72 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.372 -0.83 . . . . 0.0 112.487 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.87 -44.25 66.76 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.653 176.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -47.7 65.3 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.531 1.132 . . . . 0.0 111.453 169.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.5 t -55.7 -52.12 64.95 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.858 0.753 . . . . 0.0 110.755 173.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.22 -49.72 73.3 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.53 HG21 ' CZ ' ' B' ' 130' ' ' TYR . 2.6 p -65.69 -55.51 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-N 119.644 1.111 . . . . 0.0 111.78 175.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -68.01 -36.13 79.47 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 118.93 0.786 . . . . 0.0 111.63 -169.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.69 94.42 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.143 0.883 . . . . 0.0 111.741 175.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.417 ' HA ' ' HE3' ' B' ' 17' ' ' LYS . 0.8 OUTLIER -66.44 -39.54 88.94 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.617 -0.677 . . . . 0.0 110.515 173.493 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -22.03 58.73 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 166.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.87 -37.08 45.38 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.151 0.882 . . . . 0.0 113.162 173.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' B' ' 14' ' ' LEU . 5.9 ptpt -88.05 -21.71 24.6 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.021 0.911 . . . . 0.0 113.378 175.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.518 HG22 HG13 ' B' ' 23' ' ' VAL . 0.3 OUTLIER -53.96 135.56 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 124.613 1.165 . . . . 0.0 111.919 -173.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.13 87.0 7.18 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 90.1 t -53.79 -35.16 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 CA-C-N 119.58 1.082 . . . . 0.0 113.793 -168.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -63.0 -51.08 68.19 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.2 1.0 . . . . 0.0 112.568 172.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -86.14 -45.93 10.9 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.296 -0.878 . . . . 0.0 111.354 -170.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.518 HG13 HG22 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -59.68 -32.45 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-N 119.142 0.883 . . . . 0.0 110.882 169.481 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.93 -45.22 17.0 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 119.025 0.829 . . . . 0.0 111.941 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.45 -42.01 99.15 Favored Glycine 0 N--CA 1.468 0.795 0 CA-C-N 118.599 1.2 . . . . 0.0 112.585 170.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.56 -49.59 75.88 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.351 169.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.478 ' HA ' HG12 ' B' ' 113' ' ' VAL . . . -74.81 -48.45 25.24 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 121.074 1.761 . . . . 0.0 114.85 -172.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.9 tp -62.71 -46.96 85.69 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-O 117.823 -1.084 . . . . 0.0 109.248 172.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.404 ' O ' HG11 ' B' ' 33' ' ' VAL . . . -48.18 -55.62 10.15 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 119.439 1.018 . . . . 0.0 111.573 171.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.59 ' HA ' HG22 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -46.93 -43.87 19.41 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 126.941 2.096 . . . . 0.0 111.31 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 tp -49.63 -49.94 45.02 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 120.53 1.513 . . . . 0.0 110.095 177.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.466 ' HG ' HD11 ' B' ' 48' ' ' LEU . 1.9 mm? -68.84 -32.35 71.98 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.988 0.915 . . . . 0.0 111.771 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.59 HG22 ' HA ' ' B' ' 30' ' ' ARG . 0.9 OUTLIER -70.35 17.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 C-N-CA 124.476 1.11 . . . . 0.0 113.221 164.481 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.442 HG21 ' O ' ' B' ' 30' ' ' ARG . 2.3 t -111.49 17.51 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 119.084 -2.26 . . . . 0.0 111.167 166.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 2.8 t80 46.02 49.57 6.79 Favored Pre-proline 0 CA--C 1.555 1.169 0 O-C-N 120.817 -1.177 . . . . 0.0 112.23 -170.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -79.07 142.89 17.49 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 121.631 1.554 . . . . 0.0 109.265 -173.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -26.09 44.82 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.869 1.268 . . . . 0.0 113.031 172.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.401 ' HB ' HBC2 ' B' ' 201' ' ' HEC . 23.0 p -57.11 -20.67 26.9 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 171.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -48.8 -26.78 2.57 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.396 1.078 . . . . 0.0 113.409 170.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.444 ' HA ' ' HE ' ' C' ' 92' ' ' ARG . 5.5 ptm180 -51.25 -31.94 22.61 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 121.22 1.827 . . . . 0.0 115.225 170.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.56 10.56 32.09 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.05 0.94 . . . . 0.0 112.164 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.54 -14.65 21.08 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 175.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -45.42 -31.53 1.73 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.66 1.184 . . . . 0.0 112.735 173.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -96.2 -31.2 13.08 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 170.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -61.43 -27.81 68.82 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 119.978 -1.701 . . . . 0.0 113.121 173.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.18 179.23 7.57 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.114 0.864 . . . . 0.0 113.812 -177.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 33.24 -108.09 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.377 1.871 . . . . 0.0 111.839 -167.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.466 HD11 ' HG ' ' B' ' 32' ' ' LEU . 8.8 tt 59.15 -18.93 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 127.686 2.395 . . . . 0.0 117.163 176.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 15.0 m -50.17 -21.51 1.34 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.466 1.906 . . . . 0.0 114.861 -175.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' THR . . . . . 0.52 ' HG1' ' H ' ' B' ' 53' ' ' ALA . 4.7 p -132.98 157.93 77.12 Favored Pre-proline 0 CA--C 1.542 0.648 0 C-N-CA 125.641 1.576 . . . . 0.0 109.52 165.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.32 -46.41 31.51 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.696 2.264 . . . . 0.0 112.716 170.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -59.49 -41.39 89.74 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.146 -0.971 . . . . 0.0 112.16 176.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.52 ' H ' ' HG1' ' B' ' 50' ' ' THR . . . -60.28 -37.48 80.62 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.144 0.578 . . . . 0.0 111.819 176.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.72 -36.63 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 120.186 1.357 . . . . 0.0 113.25 177.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -32.06 68.83 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.928 0.785 . . . . 0.0 112.764 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.51 -6.79 62.31 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.413 1.006 . . . . 0.0 115.435 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -65.48 120.87 71.62 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-N 119.075 1.437 . . . . 0.0 112.432 -175.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -60.55 -32.44 93.51 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.385 2.723 . . . . 0.0 113.614 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.52 -33.5 66.94 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.659 -1.276 . . . . 0.0 112.84 173.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.11 -36.08 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 119.911 1.232 . . . . 0.0 110.948 171.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -59.8 -52.19 66.5 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.263 0.938 . . . . 0.0 111.897 167.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.5 98.63 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -37.29 77.95 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.42 -1.425 . . . . 0.0 110.971 172.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.39 -45.38 75.71 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 126.965 2.222 . . . . 0.0 113.945 171.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -57.33 -43.39 83.32 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.712 0.805 . . . . 0.0 112.393 169.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -53.63 33.08 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.843 0.857 . . . . 0.0 112.288 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.419 HG21 ' C2B' ' B' ' 201' ' ' HEC . 7.8 p -55.02 -43.65 70.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 119.197 0.908 . . . . 0.0 111.804 174.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.411 ' O ' HD21 ' B' ' 68' ' ' LEU . 5.1 tt -72.52 -36.37 68.31 Favored 'General case' 0 C--O 1.223 -0.304 0 O-C-N 120.937 -1.102 . . . . 0.0 113.18 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.64 -35.41 45.72 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 124.895 1.236 . . . . 0.0 112.6 170.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.72 -45.77 67.46 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 117.919 0.86 . . . . 0.0 112.479 169.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -58.58 -39.45 80.38 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 120.17 -1.581 . . . . 0.0 112.865 173.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 89.0 p -73.76 -39.73 64.0 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.613 -1.305 . . . . 0.0 113.276 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -54.74 -32.43 59.78 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.401 1.0 . . . . 0.0 111.309 164.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.9 -63.27 5.22 Favored Glycine 0 C--N 1.341 0.81 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 172.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mt -55.52 -21.57 17.4 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 177.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.55 -27.42 31.65 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.404 1.482 . . . . 0.0 114.552 171.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -147.61 52.09 1.05 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.951 1.7 . . . . 0.0 112.661 -171.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.6 -20.19 64.49 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.411 -1.43 . . . . 0.0 114.32 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -82.22 -9.12 59.61 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.176 1.791 . . . . 0.0 113.828 172.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -130.85 29.04 4.78 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.355 1.862 . . . . 0.0 112.133 -172.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.8 mt -58.09 -17.5 18.54 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -0.13 29.61 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 120.388 1.449 . . . . 0.0 113.778 174.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.09 -32.98 4.45 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.34 1.448 . . . . 0.0 114.282 -177.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.67 -16.25 21.04 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.137 0.975 . . . . 0.0 113.302 175.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -107.37 3.5 25.36 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.813 0.845 . . . . 0.0 113.164 -169.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.31 -34.5 72.4 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.4 p -65.74 -42.2 91.25 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.951 -1.093 . . . . 0.0 111.969 169.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 19.2 mt -69.57 -38.53 77.42 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 123.459 0.703 . . . . 0.0 111.966 177.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 84.2 p -67.08 -40.59 87.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 120.198 1.363 . . . . 0.0 111.566 176.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -61.22 -42.04 97.91 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.423 0.689 . . . . 0.0 112.071 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 30.5 tp -57.49 -60.04 4.26 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.118 -0.989 . . . . 0.0 111.71 170.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -74.25 18.63 0.14 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.123 1.369 . . . . 0.0 114.071 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 48.8 t -131.52 -87.66 0.47 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.173 1.389 . . . . 0.0 108.837 164.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.66 -19.89 29.74 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 -170.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.16 -42.33 6.74 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.885 0.874 . . . . 0.0 112.472 169.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.42 67.5 1.13 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.433 1.893 . . . . 0.0 112.082 -173.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.606 ' H ' ' CD2' ' B' ' 97' ' ' HIS . 0.0 OUTLIER -59.77 33.11 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 128.427 2.691 . . . . 0.0 114.746 162.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 2.1 m -47.17 146.03 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 120.543 -1.348 . . . . 0.0 111.324 167.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.24 138.99 66.24 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 123.755 0.822 . . . . 0.0 111.677 -174.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -50.7 -34.42 43.86 Favored 'Trans proline' 0 CA--C 1.536 0.59 0 C-N-CA 123.152 2.568 . . . . 0.0 115.442 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -50.83 -35.97 35.08 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.693 -1.254 . . . . 0.0 112.782 173.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -65.72 -35.79 81.75 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 118.25 -0.881 . . . . 0.0 113.271 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . 0.431 ' CD1' ' CB ' ' B' ' 138' ' ' ALA . 0.2 OUTLIER -56.76 -48.18 78.41 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.507 1.049 . . . . 0.0 109.106 168.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . 0.413 ' N ' ' CD1' ' B' ' 103' ' ' PHE . 20.0 ttm-85 -66.09 -45.19 82.08 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 118.839 -0.6 . . . . 0.0 109.4 -171.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 7.0 mp -53.69 -44.68 69.96 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 118.19 -0.91 . . . . 0.0 112.169 173.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.06 -48.26 79.44 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.041 1.291 . . . . 0.0 111.126 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -54.85 -53.59 38.71 Favored Glycine 0 CA--C 1.536 1.402 0 O-C-N 121.527 -0.733 . . . . 0.0 114.289 173.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -56.03 -36.74 68.34 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.168 1.787 . . . . 0.0 112.308 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.21 -42.24 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 O-C-N 120.643 -1.285 . . . . 0.0 111.811 176.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 47.2 tp -56.56 -50.16 72.71 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.208 0.603 . . . . 0.0 109.737 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.495 HG22 HE22 ' B' ' 131' ' ' GLN . 26.1 m -57.41 -33.23 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 176.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 97.4 m -67.4 -39.1 85.55 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.36 0.982 . . . . 0.0 112.199 175.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . 0.478 HG12 ' HA ' ' B' ' 27' ' ' ALA . 0.2 OUTLIER -68.84 -43.93 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 120.74 -1.225 . . . . 0.0 111.841 178.343 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -41.49 97.5 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.983 1.265 . . . . 0.0 109.816 175.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.17 -37.14 66.64 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 118.752 -0.642 . . . . 0.0 112.486 173.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -72.93 -58.86 3.02 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.028 0.831 . . . . 0.0 113.001 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -67.61 -22.85 65.33 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -173.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -124.28 39.46 3.96 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.319 1.848 . . . . 0.0 110.54 176.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -49.81 163.18 0.71 Allowed Glycine 0 CA--C 1.54 1.611 0 C-N-CA 123.648 0.642 . . . . 0.0 111.831 157.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt 61.88 -24.26 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 126.028 1.731 . . . . 0.0 115.373 -158.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -116.84 -3.74 11.64 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.581 1.152 . . . . 0.0 113.439 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . 0.41 ' O ' ' CG ' ' B' ' 122' ' ' PHE . 0.8 OUTLIER -68.57 39.72 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 127.911 2.484 . . . . 0.0 115.131 179.583 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.41 144.5 1.68 Allowed Pre-proline 0 N--CA 1.487 1.403 0 O-C-N 120.707 -1.245 . . . . 0.0 113.389 -166.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -46.32 -50.29 10.4 Favored 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 122.487 2.125 . . . . 0.0 115.507 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . 0.456 ' HA ' HD12 ' A' ' 34' ' ' LEU . 28.7 Cg_endo -64.39 -23.88 64.87 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.481 2.121 . . . . 0.0 115.595 172.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.43 -43.54 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 120.905 1.684 . . . . 0.0 112.369 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -69.66 -38.77 77.23 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 120.203 1.365 . . . . 0.0 112.335 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . 0.401 ' HB2' HD11 ' A' ' 34' ' ' LEU . . . -60.47 -42.13 95.59 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.544 1.065 . . . . 0.0 111.575 172.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.75 -48.64 80.48 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.738 0.815 . . . . 0.0 111.139 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.53 ' CZ ' HG21 ' B' ' 11' ' ' VAL . 33.6 m-85 -55.56 -49.9 71.48 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 118.57 -0.729 . . . . 0.0 112.051 168.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . 0.495 HE22 HG22 ' B' ' 111' ' ' VAL . 1.2 mp0 -54.76 -37.17 65.66 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.858 1.208 . . . . 0.0 113.2 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -67.92 -42.15 81.52 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.76 1.618 . . . . 0.0 112.658 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.49 -36.86 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.867 -1.145 . . . . 0.0 112.763 176.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 32.2 t -62.33 -49.5 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.933 1.693 . . . . 0.0 110.699 172.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.31 -50.25 74.72 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.919 0.888 . . . . 0.0 110.917 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.72 -52.5 50.27 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-N 118.779 0.718 . . . . 0.0 113.072 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -41.65 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 118.381 1.091 . . . . 0.0 110.485 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . 0.431 ' CB ' ' CD1' ' B' ' 103' ' ' PHE . . . -72.86 -36.72 67.46 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -178.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -60.56 -32.43 71.51 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.288 0.949 . . . . 0.0 110.899 168.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -71.18 -37.78 72.15 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 169.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 7.4 mt -64.67 -37.11 86.46 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.308 -1.495 . . . . 0.0 111.347 172.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.48 -8.71 35.68 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.733 1.213 . . . . 0.0 113.675 168.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -66.87 -26.44 66.89 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 119.545 -1.972 . . . . 0.0 113.907 -173.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -80.37 -17.85 50.73 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 121.177 -0.952 . . . . 0.0 113.102 168.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.16 -22.82 22.64 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.873 2.069 . . . . 0.0 112.995 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.372 0 C-N-CA 128.969 2.908 . . . . 0.0 117.008 -172.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.251 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . 0.632 HD13 HG23 ' C' ' 73' ' ' VAL . 1.4 mp -125.57 -134.58 0.26 Allowed 'General case' 0 CA--C 1.56 1.333 0 CA-C-N 122.685 2.493 . . . . 0.0 110.198 -171.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 46.4 m 125.06 -30.12 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.921 0 C-N-CA 130.871 3.669 . . . . 0.0 117.073 174.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -57.74 -173.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 124.843 3.695 . . . . 0.0 116.719 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.3 -28.48 2.01 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.617 1.567 . . . . 0.0 114.637 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -57.46 -45.56 84.65 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.333 -0.855 . . . . 0.0 112.961 169.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.46 -49.62 64.27 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.358 1.435 . . . . 0.0 109.896 171.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 49.7 m -57.41 -43.5 83.8 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 118.858 0.754 . . . . 0.0 111.252 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -63.71 -37.68 88.25 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.563 0.745 . . . . 0.0 112.387 173.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.31 -47.17 93.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.617 1.099 . . . . 0.0 111.492 171.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -43.98 94.28 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 119.647 1.112 . . . . 0.0 110.843 -179.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.06 -56.59 20.11 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.892 0.877 . . . . 0.0 110.487 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.57 -52.52 59.49 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.361 1.064 . . . . 0.0 112.066 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -65.76 -27.07 68.03 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.01 -37.98 95.32 Favored Glycine 0 CA--C 1.534 1.273 0 O-C-N 121.181 -0.949 . . . . 0.0 112.879 168.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -67.53 -40.67 85.04 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 117.96 0.88 . . . . 0.0 111.212 169.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 97.0 t -60.1 -48.25 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.227 1.011 . . . . 0.0 112.392 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 35.7 -119.21 0.41 Allowed Glycine 0 CA--C 1.54 1.641 0 C-N-CA 125.064 1.316 . . . . 0.0 114.977 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.09 -25.31 66.16 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -68.32 -14.51 63.05 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.465 1.106 . . . . 0.0 113.14 178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.16 -49.0 4.9 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.911 1.285 . . . . 0.0 114.014 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.13 -32.03 66.02 Favored Glycine 0 C--N 1.339 0.715 0 CA-C-O 118.785 -1.008 . . . . 0.0 113.69 -177.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -41.67 96.95 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.446 1.123 . . . . 0.0 109.952 172.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -67.24 -39.86 86.22 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 120.794 -1.191 . . . . 0.0 113.015 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.65 -48.26 85.52 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-N 118.717 0.689 . . . . 0.0 112.201 172.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.65 -51.65 67.9 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.244 1.018 . . . . 0.0 111.685 176.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.08 -25.21 66.12 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.83 0.852 . . . . 0.0 112.935 179.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.81 -43.42 58.85 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.405 1.002 . . . . 0.0 111.787 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 27.6 mt -58.71 -47.79 83.34 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.762 0.825 . . . . 0.0 111.061 174.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -59.65 -48.32 82.12 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 119.202 -0.427 . . . . 0.0 111.57 177.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.31 -47.23 69.43 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.912 0.885 . . . . 0.0 113.006 172.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 39.6 ttp -59.03 -42.83 91.13 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.472 0.578 . . . . 0.0 112.029 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -59.29 -56.01 27.52 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.868 0.758 . . . . 0.0 111.794 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' D' ' 125' ' ' PRO . 4.0 pp -73.05 -23.79 60.62 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -174.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 83.9 p -82.65 -29.5 29.97 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.829 1.195 . . . . 0.0 113.592 172.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -140.4 67.54 31.43 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 126.185 1.794 . . . . 0.0 110.87 -175.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -61.57 -22.29 74.09 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.933 2.422 . . . . 0.0 114.194 -171.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 7.7 p -55.58 -33.05 63.55 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.355 1.462 . . . . 0.0 113.397 168.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 3.8 t -56.29 -30.65 62.79 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.445 1.098 . . . . 0.0 113.701 174.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -59.59 -31.1 69.14 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.213 1.405 . . . . 0.0 113.048 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 4.0 t -61.1 -24.3 66.14 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' TYR . . . . . 0.544 ' CE1' ' HA ' ' C' ' 93' ' ' VAL . 0.1 OUTLIER -66.35 -15.2 63.08 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 174.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -146.48 84.33 7.83 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 124.332 1.053 . . . . 0.0 111.84 175.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -73.98 44.36 0.97 Allowed 'Trans proline' 0 CA--C 1.554 1.499 1 C-N-CA 125.401 4.067 . . . . 0.0 114.268 -174.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -160.64 91.21 0.89 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.798 2.439 . . . . 0.0 108.349 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -176.71 116.2 0.11 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.985 1.314 . . . . 0.0 110.293 167.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . 0.487 ' HB2' HE22 ' C' ' 54' ' ' GLN . 7.2 m-20 -70.09 121.19 17.0 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.281 -0.887 . . . . 0.0 109.677 164.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 61.6 mt -106.72 25.81 10.78 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.6 1.16 . . . . 0.0 112.143 -175.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 75.1 p -57.05 153.39 11.53 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.61 1.164 . . . . 0.0 112.305 175.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -59.43 122.21 13.41 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.642 -0.661 . . . . 0.0 110.638 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.96 18.41 72.49 Favored Glycine 0 CA--C 1.541 1.702 0 CA-C-O 118.803 -0.999 . . . . 0.0 114.969 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -47.06 123.07 4.93 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.017 1.408 . . . . 0.0 113.623 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.6 -18.03 61.35 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.329 1.052 . . . . 0.0 113.624 175.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . 0.487 HE22 ' HB2' ' C' ' 47' ' ' ASP . 0.0 OUTLIER -89.61 -41.66 11.84 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.437 1.017 . . . . 0.0 111.708 173.464 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.01 -38.46 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 O-C-N 121.459 -0.776 . . . . 0.0 111.547 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -41.69 97.94 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 119.445 1.02 . . . . 0.0 113.507 171.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.44 -42.35 49.01 Favored Glycine 0 N--CA 1.474 1.21 0 C-N-CA 124.006 0.812 . . . . 0.0 112.357 -177.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -61.49 -44.26 97.4 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.891 -0.77 . . . . 0.0 110.783 168.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -49.82 -52.84 24.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 121.13 -0.981 . . . . 0.0 113.668 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -55.62 -35.6 66.06 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 118.802 1.301 . . . . 0.0 112.946 174.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -70.97 -49.71 42.45 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.568 1.147 . . . . 0.0 113.602 174.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 49.1 t -54.74 -40.95 53.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 O-C-N 120.909 -1.119 . . . . 0.0 110.653 171.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.42 -50.15 74.73 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 173.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -34.67 75.17 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 120.217 1.371 . . . . 0.0 111.775 177.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.75 98.02 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 170.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.59 -43.2 97.65 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 118.02 -0.99 . . . . 0.0 111.213 171.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 27.7 m -56.33 -49.14 75.2 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 120.58 1.536 . . . . 0.0 111.91 170.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -29.69 70.15 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.578 1.535 . . . . 0.0 112.534 178.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.58 -50.48 51.4 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 118.954 0.797 . . . . 0.0 110.98 170.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 83.9 t -58.05 -43.23 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 120.005 1.275 . . . . 0.0 111.382 177.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.05 -24.64 68.0 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.883 1.273 . . . . 0.0 113.735 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -138.86 34.01 2.18 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 124.289 1.035 . . . . 0.0 111.227 -173.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . 0.632 HG23 HD13 ' C' ' 2' ' ' LEU . 5.9 p -57.62 -20.42 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 O-C-N 120.628 -1.295 . . . . 0.0 113.644 -167.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -111.48 -0.73 16.13 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.54 1.536 . . . . 0.0 114.253 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.71 23.05 5.03 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 129.475 3.11 . . . . 0.0 110.18 -172.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -108.81 29.4 0.07 OUTLIER Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 125.842 1.657 . . . . 0.0 114.737 -178.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -64.62 -22.79 64.38 Favored 'Trans proline' 0 C--N 1.356 0.964 0 CA-C-N 123.613 2.326 . . . . 0.0 113.248 -174.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.91 6.41 2.42 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.354 1.462 . . . . 0.0 113.5 175.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.19 -27.29 66.27 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.186 -1.571 . . . . 0.0 113.17 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 28.5 mt -92.83 5.24 51.94 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.181 0.992 . . . . 0.0 112.002 173.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 41.0 m -60.73 -36.99 80.25 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.166 1.348 . . . . 0.0 113.792 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.32 70.28 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.956 1.253 . . . . 0.0 112.339 173.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.88 -44.49 48.6 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.779 0.831 . . . . 0.0 110.02 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 4.7 t -54.52 -44.01 72.39 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.309 0.504 . . . . 0.0 111.579 172.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -60.26 -42.22 94.87 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.606 -1.309 . . . . 0.0 112.565 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tp -59.19 -59.17 5.88 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.653 -1.279 . . . . 0.0 111.377 170.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -69.95 -28.41 65.54 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.201 -0.937 . . . . 0.0 113.264 -174.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.19 -14.1 18.64 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.628 1.571 . . . . 0.0 114.105 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -125.02 -48.92 1.73 Allowed 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.663 1.12 . . . . 0.0 113.59 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -67.87 -34.61 77.01 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 119.915 1.234 . . . . 0.0 112.26 174.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 20.9 mt -118.86 -26.15 6.12 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . 0.444 ' HE ' ' HA ' ' B' ' 40' ' ' ARG 0.324 1.4 mtt-85 41.93 53.42 4.15 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 127.792 2.437 . . . . 0.0 114.093 -170.753 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . 0.544 ' HA ' ' CE1' ' C' ' 42' ' ' TYR . 71.6 t -77.11 125.96 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 127.271 2.228 . . . . 0.0 112.269 177.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -51.54 125.57 28.06 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 125.399 1.48 . . . . 0.0 110.941 164.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -39.4 -24.07 0.1 Allowed 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 124.761 3.641 . . . . 0.0 116.796 168.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 7.6 p -46.0 -41.99 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 120.576 1.535 . . . . 0.0 113.158 171.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -65.38 -33.87 76.98 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.237 -0.914 . . . . 0.0 112.511 177.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -56.0 -47.53 77.59 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 119.272 0.942 . . . . 0.0 109.083 171.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -55.94 -43.44 77.46 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.876 0.762 . . . . 0.0 110.336 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.02 -55.05 29.03 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.216 1.006 . . . . 0.0 110.975 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 23.2 tp -56.27 -43.24 78.58 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.454 0.702 . . . . 0.0 112.572 175.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 43.7 t -66.5 -44.5 82.43 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.393 1.477 . . . . 0.0 112.832 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -56.88 -46.99 81.49 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.597 -0.69 . . . . 0.0 111.293 169.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 74.7 m -65.6 -33.84 76.83 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.73 -51.1 69.74 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 119.682 1.128 . . . . 0.0 110.93 167.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 31.6 mt -52.66 -40.67 63.09 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.226 1.375 . . . . 0.0 112.167 175.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 34.3 t -60.85 -53.13 53.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 118.807 -0.616 . . . . 0.0 112.449 171.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 40.3 p -68.58 -42.19 78.63 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.707 1.14 . . . . 0.0 112.449 -175.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -55.25 -61.7 2.16 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 118.181 -0.914 . . . . 0.0 108.867 170.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -50.74 -38.86 50.09 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.88 1.218 . . . . 0.0 112.921 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.27 -23.17 57.4 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 117.553 2.427 . . . . 0.0 117.553 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -126.97 -41.43 1.8 Allowed 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.626 1.103 . . . . 0.0 113.1 -173.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.68 122.95 83.2 Favored Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 168.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 114' ' ' PRO . . . . . 0.423 ' C ' ' H ' ' C' ' 116' ' ' GLU . 88.0 Cg_endo -70.87 75.68 1.65 Allowed 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.178 2.585 . . . . 0.0 110.237 171.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.77 10.2 0.22 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.928 1.291 . . . . 0.0 112.657 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . 0.423 ' H ' ' C ' ' C' ' 114' ' ' PRO . 41.2 mm-40 42.69 25.64 0.05 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.657 2.383 . . . . 0.0 113.162 -164.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 21.1 p90 39.02 14.52 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.831 2.452 . . . . 0.0 116.517 -162.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.78 155.19 83.47 Favored Pre-proline 0 N--CA 1.471 0.594 0 CA-C-N 120.053 1.297 . . . . 0.0 111.963 -161.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 119' ' ' PRO . . . . . 0.455 ' HA ' HG23 ' D' ' 33' ' ' VAL . 63.5 Cg_endo -63.0 -45.77 12.01 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 121.26 1.307 . . . . 0.0 110.907 175.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.65 -24.85 67.13 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 120.916 -1.115 . . . . 0.0 113.465 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 47.8 t -87.04 -37.25 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 CA-C-N 119.922 1.237 . . . . 0.0 112.662 178.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -67.11 -35.55 80.01 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.045 -1.66 . . . . 0.0 111.451 169.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.86 -53.65 55.85 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.335 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 54.0 p -58.67 -46.99 85.98 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 113.35 0.871 . . . . 0.0 113.35 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.4 -44.19 95.41 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.519 -0.753 . . . . 0.0 111.812 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -64.98 -56.59 12.28 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 120.198 1.363 . . . . 0.0 111.878 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -33.32 70.34 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.057 0.39 . . . . 0.0 111.417 -177.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -66.93 -54.56 20.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 118.446 -0.787 . . . . 0.0 111.268 174.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -37.33 70.82 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.717 0.69 . . . . 0.0 111.114 177.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.25 -30.61 71.23 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 171.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 32.3 m -81.37 -36.97 28.97 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.386 -1.446 . . . . 0.0 112.448 171.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 47.4 t -52.45 -50.81 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 119.452 1.024 . . . . 0.0 108.732 169.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 84.0 p -63.78 -48.84 75.29 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 117.007 -1.473 . . . . 0.0 112.98 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 52.5 m -51.56 -38.07 52.57 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 121.072 1.76 . . . . 0.0 112.217 177.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 58.8 t -71.08 -48.9 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 O-C-N 121.052 -1.03 . . . . 0.0 111.22 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -3.16 2.04 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.012 1.325 . . . . 0.0 114.486 177.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 44.2 p -126.33 3.33 7.03 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.295 2.238 . . . . 0.0 111.343 176.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 22.9 t -56.64 147.61 22.08 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.157 1.383 . . . . 0.0 111.505 171.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -128.65 104.27 7.56 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.325 1.45 . . . . 0.0 108.989 -171.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -68.77 -34.24 75.23 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 176.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 . . . . . 0 C--O 1.249 1.074 0 C-N-CA 124.2 1.0 . . . . 0.0 111.403 173.09 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.29 2.2 p . . . . . 0 N--CA 1.516 2.85 0 CA-C-O 118.057 -0.973 . . . . 0.0 113.025 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 35.68 80.69 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 127.681 2.392 . . . . 0.0 116.103 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 159.03 16.0 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 121.227 -0.921 . . . . 0.0 112.053 177.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.47 141.86 93.73 Favored Pre-proline 0 N--CA 1.478 0.97 0 CA-C-O 117.919 -1.039 . . . . 0.0 109.633 168.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -47.69 -43.85 27.56 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 124.486 3.457 . . . . 0.0 116.35 -175.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.53 -39.99 94.78 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.348 -0.845 . . . . 0.0 112.461 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.76 -44.26 67.1 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 118.403 -0.808 . . . . 0.0 110.594 176.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -47.9 65.37 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.534 1.134 . . . . 0.0 111.469 169.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 14.8 t -55.51 -52.04 65.0 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.881 0.764 . . . . 0.0 110.828 173.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.16 -49.76 73.08 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' VAL . . . . . 0.527 HG21 ' CZ ' ' D' ' 130' ' ' TYR . 2.6 p -65.69 -55.41 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 119.547 1.067 . . . . 0.0 111.786 175.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -68.12 -36.14 79.25 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.938 0.79 . . . . 0.0 111.712 -169.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.58 94.12 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.978 0.808 . . . . 0.0 111.701 175.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . 0.421 ' HA ' ' HE3' ' D' ' 17' ' ' LYS . 0.8 OUTLIER -66.59 -39.35 88.37 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.639 -0.663 . . . . 0.0 110.51 173.603 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -21.95 57.68 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 166.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.14 -37.12 43.74 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.216 0.912 . . . . 0.0 113.047 174.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . 0.421 ' HE3' ' HA ' ' D' ' 14' ' ' LEU . 6.0 ptpt -87.97 -21.68 24.72 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 118.021 0.91 . . . . 0.0 113.347 175.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.97 135.67 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 124.579 1.152 . . . . 0.0 111.826 -173.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.16 87.0 7.18 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 95.6 t -53.91 -35.05 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 CA-C-N 119.683 1.129 . . . . 0.0 113.778 -167.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -63.04 -50.8 69.24 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.196 0.998 . . . . 0.0 112.68 172.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -86.45 -45.97 10.64 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.256 -0.902 . . . . 0.0 111.314 -170.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -32.58 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 119.099 0.863 . . . . 0.0 110.852 169.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.88 -45.25 17.13 Favored Glycine 0 C--N 1.34 0.764 0 CA-C-N 119.102 0.865 . . . . 0.0 111.982 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.46 -41.86 99.17 Favored Glycine 0 N--CA 1.467 0.725 0 CA-C-N 118.587 1.194 . . . . 0.0 112.642 170.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.73 -49.65 75.85 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.406 169.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' ALA . . . . . 0.48 ' HA ' HG13 ' D' ' 113' ' ' VAL . . . -74.68 -48.39 26.36 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 121.023 1.738 . . . . 0.0 114.833 -173.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 44.3 tp -63.06 -46.76 85.98 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 117.599 -1.191 . . . . 0.0 109.174 172.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . 0.41 ' O ' HG11 ' D' ' 33' ' ' VAL . . . -48.26 -55.52 10.38 Favored Glycine 0 C--N 1.336 0.569 0 CA-C-N 119.591 1.087 . . . . 0.0 111.612 171.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' ARG . . . . . 0.561 ' HA ' HG22 ' D' ' 33' ' ' VAL . 0.0 OUTLIER -47.03 -43.56 19.75 Favored 'General case' 0 C--O 1.215 -0.715 0 C-N-CA 126.949 2.1 . . . . 0.0 111.37 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 tp -49.97 -49.79 49.1 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.628 1.558 . . . . 0.0 110.065 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . 0.475 ' HG ' HD11 ' D' ' 48' ' ' LEU . 1.9 mm? -68.95 -32.37 71.93 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.123 0.969 . . . . 0.0 111.641 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' VAL . . . . . 0.561 HG22 ' HA ' ' D' ' 30' ' ' ARG . 0.9 OUTLIER -70.47 17.79 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.34 1.056 . . . . 0.0 113.19 164.56 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' VAL . . . . . 0.447 HG21 ' O ' ' D' ' 30' ' ' ARG . 2.4 t -111.49 17.48 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 O-C-N 119.243 -2.161 . . . . 0.0 111.168 166.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 2.8 t80 46.22 49.38 6.61 Favored Pre-proline 0 CA--C 1.554 1.132 0 O-C-N 120.876 -1.14 . . . . 0.0 112.22 -170.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -79.04 142.93 17.58 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 121.606 1.537 . . . . 0.0 109.302 -173.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -26.02 45.75 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.79 1.236 . . . . 0.0 113.039 172.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 23.1 p -57.06 -20.69 26.29 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 171.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -48.8 -26.81 2.58 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.25 1.02 . . . . 0.0 113.472 170.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . 0.441 ' HA ' ' HE ' ' A' ' 92' ' ' ARG . 5.5 ptm180 -51.18 -31.97 21.86 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 121.092 1.769 . . . . 0.0 115.304 170.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.47 10.57 31.83 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.955 0.902 . . . . 0.0 112.31 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -14.58 20.77 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 175.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -45.49 -31.57 1.82 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.613 1.165 . . . . 0.0 112.683 173.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -96.17 -31.12 13.13 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 170.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -61.42 -27.81 68.81 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 120.816 1.644 . . . . 0.0 113.182 173.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.19 179.13 7.5 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 123.98 0.8 . . . . 0.0 113.842 -177.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 33.34 -108.17 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.396 1.878 . . . . 0.0 111.796 -167.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 48' ' ' LEU . . . . . 0.475 HD11 ' HG ' ' D' ' 32' ' ' LEU . 8.9 tt 59.26 -18.92 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.611 2.365 . . . . 0.0 117.169 176.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 14.9 m -50.2 -21.64 1.41 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.456 1.902 . . . . 0.0 114.904 -175.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 50' ' ' THR . . . . . 0.518 ' HG1' ' H ' ' D' ' 53' ' ' ALA . 4.7 p -132.64 158.03 76.79 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 125.691 1.596 . . . . 0.0 109.705 164.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.42 -46.5 31.11 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.803 2.335 . . . . 0.0 112.651 170.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -59.35 -41.56 89.48 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.215 -0.928 . . . . 0.0 112.232 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . 0.518 ' H ' ' HG1' ' D' ' 50' ' ' THR . . . -60.08 -37.51 80.13 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.077 0.551 . . . . 0.0 111.943 176.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.7 -36.7 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-N 119.995 1.27 . . . . 0.0 113.122 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -31.99 68.64 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.102 0.865 . . . . 0.0 112.725 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.63 -6.56 62.3 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.446 1.022 . . . . 0.0 115.477 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -65.67 120.91 72.43 Favored Pre-proline 0 CA--C 1.548 0.897 0 CA-C-N 119.147 1.474 . . . . 0.0 112.394 -175.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -60.63 -32.41 93.28 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.394 2.73 . . . . 0.0 113.634 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.51 -33.38 66.87 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.617 -1.302 . . . . 0.0 112.888 173.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.11 -36.13 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 119.95 1.25 . . . . 0.0 111.021 171.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -59.91 -52.12 66.8 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.127 0.876 . . . . 0.0 111.868 167.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.84 97.8 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.06 -37.33 78.46 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.41 -1.431 . . . . 0.0 110.973 172.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.43 -45.55 75.57 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 126.981 2.229 . . . . 0.0 113.894 171.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -57.09 -43.52 82.26 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.692 0.797 . . . . 0.0 112.353 169.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -53.59 34.34 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.769 0.827 . . . . 0.0 112.297 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . 0.421 HG21 ' C2B' ' D' ' 201' ' ' HEC . 7.6 p -55.19 -43.47 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 119.154 0.888 . . . . 0.0 111.75 174.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . 0.4 HD21 ' O ' ' D' ' 68' ' ' LEU . 5.1 tt -72.57 -36.51 68.21 Favored 'General case' 0 C--O 1.224 -0.241 0 O-C-N 120.852 -1.155 . . . . 0.0 113.107 177.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.58 -35.66 45.91 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 125.054 1.312 . . . . 0.0 112.454 170.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.37 -45.93 68.18 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 117.987 0.893 . . . . 0.0 112.451 169.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -58.5 -39.52 80.28 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.189 -1.569 . . . . 0.0 112.976 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 88.7 p -73.65 -39.85 64.18 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.637 -1.29 . . . . 0.0 113.299 175.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -54.53 -32.51 58.36 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.422 1.01 . . . . 0.0 111.361 164.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.92 -63.21 5.28 Favored Glycine 0 C--N 1.339 0.74 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 172.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mt -55.72 -21.44 18.69 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.55 -27.55 31.56 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.385 1.474 . . . . 0.0 114.505 171.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -147.53 52.09 1.06 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.044 1.737 . . . . 0.0 112.791 -171.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.43 -20.3 64.37 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 120.373 -1.454 . . . . 0.0 114.25 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -82.37 -9.09 59.59 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.196 1.798 . . . . 0.0 113.775 172.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -130.92 29.12 4.76 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.378 1.871 . . . . 0.0 112.134 -172.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 83.1 mt -58.23 -17.3 18.15 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.88 -0.06 29.58 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 120.385 1.448 . . . . 0.0 113.709 174.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.09 -33.34 4.33 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.276 1.417 . . . . 0.0 114.188 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.15 -16.73 21.32 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.132 0.973 . . . . 0.0 113.305 175.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -107.0 3.45 26.03 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.843 0.857 . . . . 0.0 113.162 -169.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.23 -34.53 72.3 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -175.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 4.1 p -65.88 -42.12 90.72 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 120.995 -1.066 . . . . 0.0 111.855 169.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 19.2 mt -69.71 -38.36 76.9 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 123.447 0.699 . . . . 0.0 111.947 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -67.19 -40.45 86.52 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 120.2 1.364 . . . . 0.0 111.647 176.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -61.32 -42.06 98.04 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.313 0.645 . . . . 0.0 112.083 172.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 31.1 tp -57.29 -60.12 4.1 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.056 -1.028 . . . . 0.0 111.797 170.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -74.38 18.74 0.14 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.103 1.361 . . . . 0.0 114.076 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 48.8 t -131.54 -87.63 0.47 Allowed 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.164 1.386 . . . . 0.0 108.904 164.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.65 -19.91 29.85 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.729 1.752 . . . . 0.0 115.729 -170.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.16 -42.17 6.81 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.901 0.88 . . . . 0.0 112.58 169.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.55 67.71 1.12 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.3 1.84 . . . . 0.0 111.973 -173.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 97' ' ' HIS . . . . . 0.603 ' H ' ' CD2' ' D' ' 97' ' ' HIS . 0.0 OUTLIER -59.8 32.99 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 128.455 2.702 . . . . 0.0 114.802 162.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 2.0 m -47.22 146.01 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 120.506 -1.371 . . . . 0.0 111.267 167.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.19 138.95 65.86 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 123.807 0.843 . . . . 0.0 111.596 -174.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -50.84 -34.23 44.3 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.127 2.551 . . . . 0.0 115.395 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -50.79 -36.06 35.09 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.811 -1.181 . . . . 0.0 112.724 173.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -65.76 -35.88 81.97 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 118.288 -0.863 . . . . 0.0 113.237 177.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 103' ' ' PHE . . . . . 0.427 ' CD1' ' CB ' ' D' ' 138' ' ' ALA . 0.1 OUTLIER -56.66 -48.2 78.12 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.544 1.065 . . . . 0.0 109.096 168.839 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 104' ' ' ARG . . . . . 0.416 ' N ' ' CD1' ' D' ' 103' ' ' PHE . 20.0 ttm-85 -66.3 -44.92 82.12 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-O 118.597 -0.716 . . . . 0.0 109.344 -171.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 7.0 mp -53.74 -44.57 70.04 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.983 0.913 . . . . 0.0 112.188 173.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.34 -48.01 79.78 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.933 1.242 . . . . 0.0 111.149 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.05 -53.32 41.0 Favored Glycine 0 CA--C 1.536 1.372 0 O-C-N 121.551 -0.718 . . . . 0.0 114.326 173.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -56.12 -36.79 68.62 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.39 1.876 . . . . 0.0 112.403 174.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.3 -42.18 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 O-C-N 120.709 -1.244 . . . . 0.0 111.917 176.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 47.7 tp -56.43 -50.12 72.59 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.28 0.632 . . . . 0.0 109.891 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 111' ' ' VAL . . . . . 0.484 HG22 HE22 ' D' ' 131' ' ' GLN . 26.4 m -57.54 -33.27 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 176.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 97.2 m -67.28 -39.16 86.01 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.26 0.937 . . . . 0.0 112.249 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 113' ' ' VAL . . . . . 0.48 HG13 ' HA ' ' D' ' 27' ' ' ALA . 0.2 OUTLIER -68.84 -43.77 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 O-C-N 120.801 -1.187 . . . . 0.0 112.004 178.33 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -41.61 97.73 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.86 1.209 . . . . 0.0 109.734 175.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.14 -37.13 66.55 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 118.782 -0.628 . . . . 0.0 112.53 173.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -73.0 -58.84 3.03 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.997 0.817 . . . . 0.0 112.937 174.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -67.49 -22.97 65.43 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -173.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -124.24 39.48 3.96 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.336 1.854 . . . . 0.0 110.546 176.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -49.87 163.2 0.72 Allowed Glycine 0 CA--C 1.541 1.664 0 C-N-CA 123.593 0.616 . . . . 0.0 111.844 157.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt 61.72 -24.02 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 126.143 1.777 . . . . 0.0 115.342 -158.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -117.16 -3.56 11.5 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.521 1.128 . . . . 0.0 113.419 -175.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -68.53 39.5 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 127.958 2.503 . . . . 0.0 115.054 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.51 144.51 1.72 Allowed Pre-proline 0 N--CA 1.486 1.346 0 O-C-N 120.682 -1.262 . . . . 0.0 113.324 -166.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -46.09 -50.5 9.84 Favored 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 122.453 2.102 . . . . 0.0 115.633 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 125' ' ' PRO . . . . . 0.447 ' HA ' HD12 ' C' ' 34' ' ' LEU . 26.3 Cg_endo -63.94 -24.23 67.58 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.48 2.12 . . . . 0.0 115.595 172.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -43.58 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-N 120.934 1.697 . . . . 0.0 112.364 179.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -69.58 -38.83 77.53 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 120.207 1.367 . . . . 0.0 112.413 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 128' ' ' ALA . . . . . 0.409 ' HB2' HD11 ' C' ' 34' ' ' LEU . . . -60.7 -41.91 96.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.412 1.006 . . . . 0.0 111.611 172.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.57 -48.9 79.38 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.89 0.876 . . . . 0.0 111.098 176.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 130' ' ' TYR . . . . . 0.527 ' CZ ' HG21 ' D' ' 11' ' ' VAL . 33.5 m-85 -55.58 -49.99 71.29 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 118.625 -0.702 . . . . 0.0 112.027 168.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 131' ' ' GLN . . . . . 0.484 HE22 HG22 ' D' ' 111' ' ' VAL . 1.2 mp0 -54.58 -37.31 65.36 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.883 1.219 . . . . 0.0 113.294 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -67.9 -42.15 81.59 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.75 1.614 . . . . 0.0 112.63 176.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 35.7 m -72.54 -36.88 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 CA-C-N 119.652 1.114 . . . . 0.0 112.788 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 32.2 t -62.28 -49.52 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 125.979 1.712 . . . . 0.0 110.706 172.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.29 -50.15 75.1 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.98 0.912 . . . . 0.0 110.885 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.88 -52.41 51.18 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-N 118.706 0.684 . . . . 0.0 113.045 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.44 -41.77 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 118.389 1.094 . . . . 0.0 110.532 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . 0.427 ' CB ' ' CD1' ' D' ' 103' ' ' PHE . . . -72.75 -36.74 67.77 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -60.43 -32.62 71.53 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 119.394 0.997 . . . . 0.0 110.903 168.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.91 -37.99 72.96 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 169.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 7.4 mt -64.65 -37.21 86.8 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.271 -1.518 . . . . 0.0 111.274 173.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.55 -8.63 35.65 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.584 1.154 . . . . 0.0 113.656 168.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -66.75 -26.62 67.07 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 119.519 -1.988 . . . . 0.0 113.884 -173.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -80.29 -17.75 51.24 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 121.143 -0.973 . . . . 0.0 113.255 168.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.15 -22.86 22.63 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.93 2.092 . . . . 0.0 113.066 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.256 1.421 0 C-N-CA 128.942 2.897 . . . . 0.0 117.1 -172.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 201' ' ' HEC . . . . . 0.419 ' C2B' HG21 ' B' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 201' ' ' HEC . . . . . 0.421 ' C2B' HG21 ' D' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.269 5.8 p . . . . . 0 N--CA 1.508 2.453 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 58.0 mt -136.35 -172.42 3.14 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 120.556 1.525 . . . . 0.0 112.698 -174.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.46 158.75 60.52 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 126.908 2.083 . . . . 0.0 112.511 -173.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.05 -30.1 9.28 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.018 2.479 . . . . 0.0 113.55 -173.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.2 -33.13 56.37 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.641 -0.662 . . . . 0.0 112.573 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.66 -41.21 79.62 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.409 -0.807 . . . . 0.0 112.818 -173.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -58.2 -45.38 87.68 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-O 118.184 -0.912 . . . . 0.0 111.676 171.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.0 m -57.45 -45.83 84.29 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 120.046 1.294 . . . . 0.0 111.912 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -66.61 -39.7 88.48 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -73.65 -37.97 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-O 118.297 -0.859 . . . . 0.0 111.728 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 mptm? -55.87 -48.38 75.67 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.151 1.341 . . . . 0.0 110.879 169.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.13 -52.47 65.18 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.373 0.669 . . . . 0.0 111.454 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.0 -48.91 77.34 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -63.99 -30.34 71.43 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.15 -43.71 95.11 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.664 1.126 . . . . 0.0 113.317 171.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -66.17 -37.06 84.72 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 118.215 1.008 . . . . 0.0 111.764 172.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.1 -49.78 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 124.885 1.274 . . . . 0.0 112.821 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.71 -145.51 6.51 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 123.919 0.771 . . . . 0.0 114.535 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.38 -22.91 55.47 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -67.09 -7.98 27.19 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 174.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.33 -43.09 10.55 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.719 1.208 . . . . 0.0 114.003 174.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.09 -37.26 92.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 121.977 -0.452 . . . . 0.0 113.478 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -44.53 82.67 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.295 1.038 . . . . 0.0 111.113 174.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.48 -39.88 95.61 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.166 0.587 . . . . 0.0 112.029 175.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.05 -59.65 10.47 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.208 0.909 . . . . 0.0 111.658 170.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.25 -53.43 43.9 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.572 1.149 . . . . 0.0 112.942 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -61.3 -35.59 77.76 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.417 0.687 . . . . 0.0 112.193 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.421 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -60.74 -40.39 92.23 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 118.887 0.767 . . . . 0.0 111.955 175.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.482 ' CD1' ' HD1' ' A' ' 58' ' ' HIS . 5.3 mt -65.83 -45.71 81.26 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 118.392 0.542 . . . . 0.0 111.127 178.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -57.06 -42.62 80.92 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.921 0.888 . . . . 0.0 110.023 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -44.64 93.44 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-O 117.013 -1.47 . . . . 0.0 111.536 174.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.6 mtm -57.04 -51.25 70.01 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 119.787 1.176 . . . . 0.0 112.173 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.51 -48.8 71.47 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.443 0.697 . . . . 0.0 110.371 -178.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.9 mt -71.34 -40.16 70.87 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.034 0.534 . . . . 0.0 111.789 -177.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.2 p -82.59 -30.7 29.39 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -172.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -142.86 66.85 17.65 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 125.312 1.445 . . . . 0.0 109.508 -167.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -48.11 -26.87 8.38 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 124.879 3.719 . . . . 0.0 116.057 -169.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -37.48 -44.53 0.66 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 127.307 2.243 . . . . 0.0 113.22 166.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 t -58.08 -34.55 70.27 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -58.82 -22.26 58.26 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.185 1.394 . . . . 0.0 113.329 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -51.84 -28.78 16.95 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 173.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -57.98 -19.13 28.35 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 56.68 64.59 4.57 Favored Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 125.598 1.559 . . . . 0.0 112.387 -176.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -53.94 157.54 10.39 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.87 2.38 . . . . 0.0 113.585 173.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -79.67 1.42 26.44 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.04 177.59 5.99 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.439 1.496 . . . . 0.0 113.959 -168.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -118.82 154.05 33.49 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.602 1.961 . . . . 0.0 111.333 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.8 mt -116.23 23.32 12.23 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.474 1.11 . . . . 0.0 112.751 -161.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.7 m -65.34 21.3 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 128.839 2.855 . . . . 0.0 117.626 -166.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 m80 58.23 144.08 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 127.875 2.47 . . . . 0.0 113.991 -161.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.28 22.37 60.86 Favored Glycine 0 CA--C 1.542 1.725 0 O-C-N 121.345 -0.847 . . . . 0.0 115.182 -176.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.3 t -65.4 115.08 5.29 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.994 1.318 . . . . 0.0 113.493 -170.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.13 75.99 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.664 1.186 . . . . 0.0 113.5 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -62.64 -40.87 98.38 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.661 -0.649 . . . . 0.0 111.935 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.6 t -66.16 -35.04 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.308 0.643 . . . . 0.0 111.083 177.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -62.9 -51.58 66.41 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 119.594 1.088 . . . . 0.0 111.714 171.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.33 -42.65 99.83 Favored Glycine 0 N--CA 1.472 1.084 0 C-N-CA 123.798 0.714 . . . . 0.0 112.903 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.482 ' HD1' ' CD1' ' A' ' 29' ' ' LEU . 31.2 t-80 -63.64 -45.37 90.55 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.628 -0.924 . . . . 0.0 111.858 171.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.82 -45.92 69.0 Favored Glycine 0 CA--C 1.533 1.169 0 O-C-N 121.186 -0.946 . . . . 0.0 113.349 173.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -56.37 -43.98 79.71 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.586 1.154 . . . . 0.0 111.748 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -63.38 -47.45 82.0 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.049 0.939 . . . . 0.0 112.913 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.5 t -54.9 -44.84 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 118.969 0.804 . . . . 0.0 110.794 172.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.24 -47.06 84.06 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -59.71 -39.01 83.21 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.638 1.108 . . . . 0.0 112.156 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.8 -44.09 97.55 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 171.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.82 -39.58 89.53 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.334 -0.854 . . . . 0.0 111.793 172.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 85.3 m -59.54 -46.52 88.65 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 120.858 -1.151 . . . . 0.0 111.646 170.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -27.75 67.96 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.532 1.06 . . . . 0.0 112.353 177.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.63 -49.76 65.21 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 119.473 1.033 . . . . 0.0 110.721 166.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 76.4 t -55.36 -37.32 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 119.863 1.21 . . . . 0.0 111.915 176.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.61 -25.56 68.02 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 175.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -145.55 23.25 1.45 Allowed 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -163.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.1 p -60.61 -24.76 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 CA-C-N 122.234 2.288 . . . . 0.0 115.869 -157.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.4 -6.79 57.47 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.577 -1.327 . . . . 0.0 113.98 174.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -129.51 1.06 5.02 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 128.755 2.822 . . . . 0.0 112.811 -172.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -69.94 -9.93 0.17 Allowed Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 118.224 2.676 . . . . 0.0 118.224 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -38.71 -42.28 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 123.842 3.028 . . . . 0.0 116.869 176.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -101.26 -7.92 22.61 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 175.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.6 -22.84 56.55 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.424 -1.422 . . . . 0.0 112.951 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.6 mt -92.41 10.57 29.43 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.009 0.822 . . . . 0.0 113.039 170.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.3 m -56.94 -32.83 66.4 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 120.362 1.437 . . . . 0.0 114.237 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.75 -29.98 70.48 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 119.766 1.166 . . . . 0.0 112.894 171.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mt -82.72 -36.76 25.54 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.421 1.089 . . . . 0.0 111.203 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.2 t -59.7 -41.94 91.9 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 122.222 -0.298 . . . . 0.0 111.402 167.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.53 -47.81 84.53 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.564 1.146 . . . . 0.0 112.115 173.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tp -47.57 -52.53 17.34 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.3 0.955 . . . . 0.0 111.783 166.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -34.93 76.04 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.456 -0.778 . . . . 0.0 113.012 -174.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.61 -26.44 17.86 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -175.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -104.33 -10.59 17.69 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.155 1.382 . . . . 0.0 113.283 -174.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -124.01 -57.2 1.62 Allowed 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 116.843 -1.551 . . . . 0.0 115.067 -174.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 mp -136.46 -77.48 0.42 Allowed 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 116.383 -1.77 . . . . 0.0 114.28 175.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 147.39 68.91 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.466 0 C-N-CA 131.039 3.736 . . . . 0.0 113.199 175.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 73.2 t -38.04 110.95 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 C-N-CA 126.515 1.926 . . . . 0.0 112.784 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -67.01 123.61 86.67 Favored Pre-proline 0 CA--C 1.54 0.56 0 C-N-CA 122.849 0.46 . . . . 0.0 112.233 -172.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.94 -38.83 44.57 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.327 2.018 . . . . 0.0 112.193 -177.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 52.5 t -64.93 -31.64 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 119.871 -1.768 . . . . 0.0 111.768 176.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -65.25 -30.18 71.03 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.202 0.91 . . . . 0.0 112.209 173.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -47.01 82.02 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.434 1.016 . . . . 0.0 111.71 172.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -57.11 -37.06 71.42 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 118.919 0.781 . . . . 0.0 111.737 -177.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.1 mt -61.2 -59.37 5.42 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.798 0.839 . . . . 0.0 109.245 173.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -38.07 72.31 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.789 0.836 . . . . 0.0 112.345 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.6 t -57.2 -56.75 17.81 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.614 1.166 . . . . 0.0 112.515 171.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -30.53 71.57 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.097 -1.002 . . . . 0.0 111.379 178.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 79.7 m -69.54 -33.0 72.14 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 172.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 mt -69.75 -47.93 61.2 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 119.897 1.226 . . . . 0.0 110.841 169.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.5 mt -50.55 -40.99 53.44 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.572 -0.705 . . . . 0.0 111.611 171.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.403 HG23 ' HA ' ' B' ' 112' ' ' CYS . 4.0 t -57.35 -53.23 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 169.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.6 p -68.99 -30.86 69.36 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.454 1.024 . . . . 0.0 112.731 -177.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.6 -49.35 54.88 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.021 0.828 . . . . 0.0 110.5 173.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.47 -33.67 60.12 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 172.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.1 -9.3 45.25 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -131.3 -31.82 1.61 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -176.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.3 mp -83.34 173.01 8.1 Favored Pre-proline 0 CA--C 1.559 1.322 0 C-N-CA 124.379 1.072 . . . . 0.0 110.9 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -58.64 -138.9 0.0 OUTLIER 'Trans proline' 0 CA--C 1.552 1.391 1 C-N-CA 125.918 4.412 . . . . 0.0 114.857 167.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.88 39.51 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.695 1.998 . . . . 0.0 115.218 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -38.46 -28.95 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 130.46 3.504 . . . . 0.0 115.633 -176.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -71.97 8.39 1.25 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.925 2.09 . . . . 0.0 116.439 171.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.25 159.4 1.55 Allowed Pre-proline 0 N--CA 1.491 1.599 0 CA-C-N 121.361 1.891 . . . . 0.0 113.242 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -56.0 -44.68 44.8 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.103 1.868 . . . . 0.0 112.84 171.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.16 -59.75 3.76 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 119.31 -0.376 . . . . 0.0 110.288 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 24.5 t -68.05 -43.93 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 120.249 -1.532 . . . . 0.0 113.22 -171.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -69.73 -48.45 59.42 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 120.065 1.302 . . . . 0.0 112.358 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.06 84.88 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.853 1.206 . . . . 0.0 110.612 175.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.9 m -62.44 -51.76 66.24 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.49 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.85 -41.94 95.29 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 120.473 1.488 . . . . 0.0 112.809 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -58.32 -50.58 73.11 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 120.086 1.312 . . . . 0.0 111.848 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.35 -28.93 59.78 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -70.22 -46.12 65.14 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.565 1.075 . . . . 0.0 110.928 172.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.95 -37.19 81.5 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 120.243 -1.535 . . . . 0.0 110.523 172.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.18 -44.59 96.27 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 170.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 96.1 p -67.23 -40.39 86.34 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 120.598 1.545 . . . . 0.0 111.853 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 44.9 t -52.85 -49.19 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.613 1.165 . . . . 0.0 109.678 170.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.6 t -57.82 -54.58 45.26 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 172.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 96.8 m -51.53 -34.12 34.97 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.469 1.031 . . . . 0.0 112.303 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 58.9 t -79.45 -42.44 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 172.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.81 -32.65 65.93 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.182 -1.574 . . . . 0.0 112.744 173.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 44.4 p -97.48 -1.48 44.04 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.67 1.988 . . . . 0.0 112.787 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 14.7 t -160.81 126.88 3.95 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 120.552 1.524 . . . . 0.0 113.756 177.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -56.18 -29.01 60.26 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.868 1.432 . . . . 0.0 114.868 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -161.28 -61.3 0.05 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.917 0.887 . . . . 0.0 112.739 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 . . . . . 0 C--O 1.254 1.333 0 C-N-CA 125.74 1.616 . . . . 0.0 113.752 -177.857 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.312 2.4 p . . . . . 0 N--CA 1.514 2.744 0 CA-C-O 117.643 -1.17 . . . . 0.0 112.877 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 27.5 80.28 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 128.012 2.525 . . . . 0.0 116.475 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 mt -57.67 163.45 2.51 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.061 1.345 . . . . 0.0 111.962 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.36 156.4 81.32 Favored Pre-proline 0 N--CA 1.485 1.322 0 CA-C-O 118.489 -0.767 . . . . 0.0 109.577 161.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -56.93 -45.79 33.76 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.659 2.239 . . . . 0.0 114.767 175.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.71 -35.21 76.88 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.223 -0.923 . . . . 0.0 111.954 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -69.47 -40.62 76.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.09 0.956 . . . . 0.0 110.865 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.4 ' HA ' HG11 ' B' ' 11' ' ' VAL . 54.6 tttm -60.62 -45.1 95.29 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.046 1.339 . . . . 0.0 111.492 171.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.1 t -54.66 -48.09 72.76 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.933 0.493 . . . . 0.0 110.659 175.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.22 -53.27 60.23 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 175.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.445 HG21 ' CE2' ' B' ' 130' ' ' TYR . 6.6 p -65.21 -43.1 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 CA-C-N 119.787 1.176 . . . . 0.0 111.903 -176.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -76.85 -31.15 56.65 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.713 -0.617 . . . . 0.0 111.706 -175.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.49 -40.68 76.9 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.331 1.423 . . . . 0.0 112.504 170.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.06 -29.31 68.24 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.272 -0.892 . . . . 0.0 111.41 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -65.1 -45.02 86.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.29 0.636 . . . . 0.0 112.079 164.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.67 -35.77 58.02 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.183 1.373 . . . . 0.0 115.075 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -90.01 -10.45 44.89 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 174.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.74 135.61 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.032 0.933 . . . . 0.0 112.005 -169.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -83.02 80.67 8.97 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 46.6 t -49.95 -40.32 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 124.447 1.099 . . . . 0.0 113.727 -168.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -70.37 -35.88 73.81 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.89 0.876 . . . . 0.0 113.125 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -89.81 -49.82 6.4 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.312 -0.867 . . . . 0.0 111.346 -175.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.482 HG22 HG13 ' B' ' 113' ' ' VAL . 0.5 OUTLIER -59.52 -35.02 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 123.485 0.714 . . . . 0.0 111.002 169.2 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.43 -46.75 67.53 Favored Glycine 0 C--N 1.339 0.747 0 O-C-N 120.79 -1.194 . . . . 0.0 111.765 176.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.74 -44.18 95.96 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-N 117.51 0.655 . . . . 0.0 112.684 172.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -65.6 -34.92 79.37 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 124.003 0.921 . . . . 0.0 112.692 173.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.33 -54.74 24.48 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 120.718 1.599 . . . . 0.0 109.822 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 tp -68.62 -40.96 80.15 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.153 -174.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.404 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -49.42 -58.12 8.49 Favored Glycine 0 CA--C 1.528 0.844 0 CA-C-O 119.052 -0.86 . . . . 0.0 112.515 163.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 37.7 ttt-85 -49.93 -31.86 13.43 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 125.441 1.496 . . . . 0.0 114.15 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tt -79.59 -51.12 9.69 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.177 1.353 . . . . 0.0 112.137 171.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.417 ' HB3' HD12 ' B' ' 48' ' ' LEU . 6.3 mp -73.68 -14.38 61.14 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.373 -0.829 . . . . 0.0 111.881 -171.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.457 ' C ' ' H ' ' B' ' 35' ' ' TYR . 34.5 m -85.88 -12.31 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -65.31 11.58 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 CA-C-N 122.07 2.214 . . . . 0.0 113.296 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . 0.457 ' H ' ' C ' ' B' ' 33' ' ' VAL . 1.5 t80 36.54 41.24 0.23 Allowed Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 128.54 2.736 . . . . 0.0 114.413 -157.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -76.5 165.1 29.64 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 121.577 1.518 . . . . 0.0 110.061 -174.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 31.5 p90 -51.69 -30.45 22.13 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.266 -0.896 . . . . 0.0 112.261 166.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.63 -31.34 24.92 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.059 1.344 . . . . 0.0 114.081 172.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -59.59 -19.37 48.32 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.777 1.171 . . . . 0.0 113.21 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -62.87 -16.86 60.41 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 120.312 -1.492 . . . . 0.0 113.956 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.33 -1.21 57.9 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 172.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.526 ' HB2' HD13 ' B' ' 48' ' ' LEU . 1.6 p90 -62.79 -10.05 11.6 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 117.168 2.284 . . . . 0.0 117.168 -163.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -51.59 -26.35 8.61 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 176.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.416 ' O ' ' HE3' ' B' ' 59' ' ' LYS . 34.2 p -86.86 8.57 22.36 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.249 1.42 . . . . 0.0 114.622 174.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -115.33 -14.88 11.63 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.676 1.19 . . . . 0.0 113.822 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.29 -146.25 24.85 Favored Glycine 0 CA--C 1.536 1.368 0 CA-C-N 120.917 1.689 . . . . 0.0 112.904 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.62 117.93 3.76 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.647 0.779 . . . . 0.0 112.004 176.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.526 HD13 ' HB2' ' B' ' 42' ' ' PHE . 8.7 tt -153.83 -23.51 0.14 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -174.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 4.0 m -58.2 -8.1 1.01 Allowed 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -169.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' THR . . . . . 0.592 ' HG1' ' H ' ' B' ' 53' ' ' ALA . 34.1 p -142.55 163.6 37.94 Favored Pre-proline 0 N--CA 1.474 0.732 0 C-N-CA 127.573 2.349 . . . . 0.0 109.578 178.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -57.26 -49.25 14.48 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.074 1.849 . . . . 0.0 112.6 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.37 -38.54 84.23 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.912 0.885 . . . . 0.0 111.867 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.592 ' H ' ' HG1' ' B' ' 50' ' ' THR . . . -59.78 -60.62 3.54 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 122.867 0.467 . . . . 0.0 111.257 173.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 p -66.14 -39.02 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -171.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 44.0 mtt -77.72 -21.91 51.2 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -173.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.86 -19.6 19.17 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 124.357 0.979 . . . . 0.0 114.639 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.468 HD21 ' CG2' ' B' ' 60' ' ' VAL . 13.4 t30 -68.14 125.69 91.81 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 124.642 1.177 . . . . 0.0 113.811 -172.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -63.65 -39.07 36.98 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.136 2.558 . . . . 0.0 113.532 -171.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.416 ' HE3' ' O ' ' B' ' 44' ' ' SER . 44.1 tttp -63.96 -34.93 79.08 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.653 1.115 . . . . 0.0 113.102 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.468 ' CG2' HD21 ' B' ' 57' ' ' ASN . 63.3 t -65.18 -46.17 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.946 0.899 . . . . 0.0 110.7 169.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -64.49 -40.05 94.94 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.169 0.895 . . . . 0.0 112.252 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.88 -33.71 72.59 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.569 1.548 . . . . 0.0 114.044 175.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.2 -38.67 82.22 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.404 -1.435 . . . . 0.0 111.022 164.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.18 -51.06 32.1 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 125.165 1.364 . . . . 0.0 113.445 168.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -52.92 -40.55 63.66 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.329 1.452 . . . . 0.0 113.204 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -52.09 11.23 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.756 0.822 . . . . 0.0 112.473 -178.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 16.5 m -56.7 -40.78 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 CA-C-N 119.545 1.066 . . . . 0.0 111.433 174.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tt -84.51 -35.1 23.15 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.032 -1.043 . . . . 0.0 112.905 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.09 -40.19 82.33 Favored Glycine 0 CA--C 1.535 1.31 0 O-C-N 121.235 -0.916 . . . . 0.0 112.002 165.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.89 -46.54 74.59 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.837 -0.802 . . . . 0.0 112.859 170.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.409 ' CD2' HD23 ' B' ' 110' ' ' LEU . 51.3 m-85 -54.27 -33.62 59.03 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 121.147 1.794 . . . . 0.0 112.528 170.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -41.19 74.95 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 170.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -55.01 -33.3 62.5 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.799 1.181 . . . . 0.0 111.697 169.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.14 -63.72 4.92 Favored Glycine 0 C--N 1.339 0.729 0 CA-C-O 119.275 -0.736 . . . . 0.0 111.38 166.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.5 mt -53.14 -22.08 5.85 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.2 -25.5 25.61 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.726 1.61 . . . . 0.0 114.886 174.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -144.34 43.96 1.41 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.631 1.572 . . . . 0.0 112.824 -170.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.54 -18.76 32.04 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.43 -38.37 71.5 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.241 1.416 . . . . 0.0 114.084 176.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -158.04 90.65 1.07 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.967 0.907 . . . . 0.0 112.706 177.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.8 mt -65.55 -27.07 68.17 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -67.36 4.28 1.03 Allowed 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 -174.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -122.01 -42.02 0.46 Allowed Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.736 1.636 . . . . 0.0 112.999 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' THR . . . . . 0.412 ' HG1' ' HD1' ' B' ' 85' ' ' PHE . 5.7 p -71.11 -24.84 62.37 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.382 1.091 . . . . 0.0 113.562 173.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . 0.412 ' HD1' ' HG1' ' B' ' 84' ' ' THR . 47.8 m-85 -106.37 -3.52 20.99 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.45 -41.28 65.95 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 120.212 1.369 . . . . 0.0 114.51 -171.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 14.9 p -64.94 -34.59 78.77 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.371 1.068 . . . . 0.0 112.695 173.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 43.4 mt -74.49 -37.38 63.18 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.534 1.134 . . . . 0.0 111.286 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -60.98 -44.61 97.13 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.457 1.026 . . . . 0.0 111.017 169.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -60.17 -38.86 84.46 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.666 0.786 . . . . 0.0 112.01 171.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.1 tp -69.4 -57.54 5.15 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.211 -0.93 . . . . 0.0 111.809 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -73.52 -12.54 60.81 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -176.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 79.4 m -109.72 -90.51 0.47 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.126 0.971 . . . . 0.0 110.5 167.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -51.7 -34.59 39.36 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -166.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -86.92 -53.31 4.97 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.306 1.042 . . . . 0.0 113.627 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 51.6 mt -105.48 -33.24 8.19 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.061 1.344 . . . . 0.0 113.176 -170.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 42.04 30.84 0.2 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 128.039 2.536 . . . . 0.0 115.516 -174.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -57.8 145.99 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 121.284 -0.885 . . . . 0.0 110.687 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.4 ' HB3' HG22 ' C' ' 96' ' ' VAL . 23.2 m-20 -58.66 130.66 85.43 Favored Pre-proline 0 CA--C 1.547 0.855 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -160.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -62.85 -37.46 54.91 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 122.53 2.153 . . . . 0.0 114.367 -164.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.81 -28.04 5.82 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 120.404 -1.435 . . . . 0.0 114.364 171.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.84 -34.86 76.72 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.18 -0.95 . . . . 0.0 112.114 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -64.45 -40.91 96.62 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.776 1.625 . . . . 0.0 111.053 175.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -63.41 -47.14 83.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.035 0.534 . . . . 0.0 109.698 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 96.8 mt -56.08 -49.16 74.58 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.92 174.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.66 -43.32 97.77 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.608 1.095 . . . . 0.0 110.859 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.99 -56.03 27.38 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.262 0.934 . . . . 0.0 113.91 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.91 -40.36 88.58 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.212 1.006 . . . . 0.0 111.086 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 14.3 t -59.91 -42.47 89.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 118.421 -0.8 . . . . 0.0 112.443 175.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.409 HD23 ' CD2' ' B' ' 71' ' ' PHE . 6.9 tp -57.0 -52.98 63.11 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 118.722 0.692 . . . . 0.0 110.809 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -54.93 -39.55 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 118.473 0.578 . . . . 0.0 109.809 -177.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . 0.403 ' HA ' HG23 ' A' ' 107' ' ' VAL . 11.0 t -73.18 -33.12 65.25 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 178.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . 0.482 HG13 HG22 ' B' ' 23' ' ' VAL . 1.9 p -61.94 -37.26 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 121.291 1.86 . . . . 0.0 111.747 171.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 mt -63.89 -35.93 82.25 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.812 -0.555 . . . . 0.0 110.073 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.33 -34.02 74.02 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 170.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -59.01 -60.33 4.05 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 120.641 1.564 . . . . 0.0 110.268 168.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -71.22 -26.27 62.86 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -167.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -130.34 40.47 3.52 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.609 1.164 . . . . 0.0 112.381 -176.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -55.55 -5.34 0.79 Allowed Glycine 0 CA--C 1.541 1.69 0 C-N-CA 126.505 2.002 . . . . 0.0 117.328 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -84.96 -21.71 29.46 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.833 1.317 . . . . 0.0 113.264 170.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -135.64 6.01 3.19 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.777 1.631 . . . . 0.0 113.17 -170.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -61.64 30.03 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 128.907 2.883 . . . . 0.0 116.98 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.664 ' HG1' ' H ' ' B' ' 126' ' ' VAL . 16.3 p -42.41 148.15 0.54 Allowed Pre-proline 0 N--CA 1.481 1.121 0 C-N-CA 125.74 1.616 . . . . 0.0 115.211 -167.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -43.93 -46.75 10.64 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 122.591 2.194 . . . . 0.0 114.633 172.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.6 -32.58 18.96 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.724 1.616 . . . . 0.0 114.773 173.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . 0.664 ' H ' ' HG1' ' B' ' 123' ' ' THR . 0.5 OUTLIER -67.53 -39.56 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-N 122.25 2.296 . . . . 0.0 112.061 177.189 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -63.32 -41.58 98.92 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.286 0.634 . . . . 0.0 110.808 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.75 -41.1 96.16 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 173.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.18 -47.76 84.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 119.233 0.924 . . . . 0.0 111.962 172.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.445 ' CE2' HG21 ' B' ' 11' ' ' VAL . 10.8 m-85 -52.08 -50.33 61.78 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 118.865 -0.588 . . . . 0.0 111.026 167.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -57.14 -38.18 73.11 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.543 1.065 . . . . 0.0 113.357 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -72.31 -44.02 63.32 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.617 1.553 . . . . 0.0 112.268 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 23.0 m -63.1 -38.57 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 119.921 1.237 . . . . 0.0 110.992 172.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 22.4 t -61.12 -43.29 96.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 124.962 1.305 . . . . 0.0 111.849 172.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -70.08 -34.67 73.47 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.633 1.106 . . . . 0.0 112.477 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.05 -49.19 77.59 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 121.392 -0.818 . . . . 0.0 111.357 167.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 22.6 t -56.83 -46.07 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.755 0.822 . . . . 0.0 112.192 175.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -51.54 -54.89 22.64 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.533 1.133 . . . . 0.0 111.971 173.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -58.79 -39.85 82.31 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 176.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.34 -50.43 67.78 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.845 0.748 . . . . 0.0 112.321 177.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.68 -42.26 99.53 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.175 -0.953 . . . . 0.0 111.47 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.75 -11.52 37.32 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -62.71 -18.44 62.49 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 120.563 1.529 . . . . 0.0 114.264 -173.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -87.08 1.55 52.59 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.31 1.444 . . . . 0.0 113.906 171.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -135.96 -18.17 1.6 Allowed 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 125.929 1.692 . . . . 0.0 114.768 -177.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 79.5 m80 . . . . . 0 C--O 1.257 1.497 0 C-N-CA 128.302 2.641 . . . . 0.0 114.08 179.152 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.269 5.7 p . . . . . 0 N--CA 1.508 2.464 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 57.7 mt -136.33 -172.48 3.15 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.499 1.5 . . . . 0.0 112.724 -174.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.39 158.68 60.59 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 126.902 2.081 . . . . 0.0 112.467 -172.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.02 -30.01 9.44 Favored 'Trans proline' 0 CA--C 1.537 0.637 0 C-N-CA 123.047 2.498 . . . . 0.0 113.616 -173.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.32 -33.03 55.62 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.643 -0.661 . . . . 0.0 112.547 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.69 -41.24 79.45 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.338 -0.851 . . . . 0.0 112.686 -173.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -58.26 -45.33 88.03 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 118.069 -0.967 . . . . 0.0 111.683 171.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 40.2 m -57.41 -45.86 84.14 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 120.08 1.309 . . . . 0.0 111.951 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -66.74 -39.63 88.01 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 178.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 58.0 t -73.62 -38.13 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.727 177.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -55.81 -48.29 75.67 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 120.181 1.355 . . . . 0.0 110.936 169.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.25 -52.36 65.66 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.233 0.613 . . . . 0.0 111.397 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.13 -48.8 77.76 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -64.09 -30.19 71.28 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.39 -43.66 94.6 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.733 1.159 . . . . 0.0 113.239 171.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -66.07 -37.13 85.04 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 118.288 1.044 . . . . 0.0 111.749 172.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.13 -49.79 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 124.915 1.286 . . . . 0.0 112.706 177.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.57 -145.44 6.36 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 123.947 0.784 . . . . 0.0 114.572 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.37 -22.8 54.94 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -67.28 -7.8 27.05 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 174.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.54 -43.02 11.54 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.769 1.227 . . . . 0.0 113.853 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.11 -37.18 92.83 Favored Glycine 0 CA--C 1.528 0.857 0 O-C-N 122.024 -0.422 . . . . 0.0 113.591 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -44.61 82.7 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.293 1.037 . . . . 0.0 111.081 174.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -63.58 -39.78 95.26 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.167 0.587 . . . . 0.0 112.035 175.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.97 -59.69 10.4 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 124.289 0.947 . . . . 0.0 111.621 169.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.47 -53.28 47.75 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.58 1.152 . . . . 0.0 112.903 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -61.23 -35.74 78.04 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 123.497 0.719 . . . . 0.0 112.166 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . 0.426 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -60.57 -40.58 92.2 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 118.939 0.79 . . . . 0.0 111.971 175.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . 0.482 ' CD1' ' HD1' ' C' ' 58' ' ' HIS . 5.3 mt -65.77 -45.61 81.87 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.345 0.521 . . . . 0.0 111.045 178.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -57.21 -42.48 81.39 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.944 0.898 . . . . 0.0 109.961 177.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -44.59 93.82 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 117.045 -1.455 . . . . 0.0 111.529 174.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 45.2 mtm -56.99 -51.4 69.36 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 119.751 1.159 . . . . 0.0 112.262 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.33 -49.06 70.61 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.596 0.758 . . . . 0.0 110.363 -178.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 41.0 mt -71.0 -40.54 71.76 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.26 0.624 . . . . 0.0 111.835 -177.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 93.2 p -82.2 -30.88 30.64 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -172.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -142.8 66.9 17.99 Favored Pre-proline 0 CA--C 1.542 0.635 0 C-N-CA 125.329 1.452 . . . . 0.0 109.598 -167.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -48.28 -26.92 8.93 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 124.918 3.745 . . . . 0.0 116.002 -169.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -37.16 -44.58 0.57 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 127.362 2.265 . . . . 0.0 113.291 166.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 5.0 t -58.12 -34.48 70.28 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -178.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -58.88 -22.38 59.16 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.363 1.465 . . . . 0.0 113.33 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -51.87 -28.65 16.76 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 173.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -57.99 -19.26 29.45 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 56.71 64.52 4.61 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 125.468 1.507 . . . . 0.0 112.562 -176.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -53.84 157.65 9.93 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 C-N-CA 122.897 2.398 . . . . 0.0 113.518 173.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -79.8 1.37 27.07 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -124.95 177.54 5.99 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.455 1.502 . . . . 0.0 114.014 -168.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -118.67 154.12 33.23 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.65 1.98 . . . . 0.0 111.327 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 20.4 mt -116.19 23.27 12.28 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.502 1.121 . . . . 0.0 112.8 -161.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 16.8 m -65.3 21.21 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 128.943 2.897 . . . . 0.0 117.539 -166.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 m80 58.16 144.0 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.934 2.494 . . . . 0.0 114.044 -160.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.4 22.44 61.23 Favored Glycine 0 CA--C 1.543 1.798 0 O-C-N 121.264 -0.897 . . . . 0.0 115.024 -176.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 48.1 t -65.46 115.06 5.31 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.017 1.327 . . . . 0.0 113.56 -170.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -40.26 76.1 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.733 1.213 . . . . 0.0 113.437 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -62.51 -41.02 98.56 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.655 -0.653 . . . . 0.0 111.888 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 41.2 t -65.99 -35.21 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 123.332 0.653 . . . . 0.0 111.111 177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -62.78 -51.65 66.25 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 119.596 1.089 . . . . 0.0 111.634 171.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.38 -42.66 99.83 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 123.974 0.797 . . . . 0.0 112.818 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . 0.482 ' HD1' ' CD1' ' C' ' 29' ' ' LEU . 31.5 t-80 -63.74 -45.31 90.46 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.694 -0.886 . . . . 0.0 111.897 171.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.75 -45.9 68.42 Favored Glycine 0 CA--C 1.534 1.226 0 O-C-N 121.178 -0.951 . . . . 0.0 113.375 173.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -56.55 -43.83 80.29 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.564 1.146 . . . . 0.0 111.699 172.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -63.44 -47.49 81.66 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.003 0.921 . . . . 0.0 112.86 175.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 91.7 t -54.84 -44.94 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 119.043 0.838 . . . . 0.0 110.757 172.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.02 84.71 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 176.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -59.88 -39.04 83.96 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.654 1.116 . . . . 0.0 112.119 175.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.25 97.37 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 170.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -39.47 88.6 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.422 -0.799 . . . . 0.0 111.849 172.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 85.1 m -59.58 -46.64 88.32 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.873 -1.142 . . . . 0.0 111.566 170.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -27.81 68.07 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.545 1.066 . . . . 0.0 112.455 177.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.57 -49.76 65.32 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 119.489 1.041 . . . . 0.0 110.758 166.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 77.4 t -55.32 -37.38 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 119.961 1.255 . . . . 0.0 111.833 176.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.75 -25.38 67.9 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -145.41 22.64 1.49 Allowed 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -163.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 3.1 p -60.34 -24.64 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 CA-C-N 122.264 2.302 . . . . 0.0 115.946 -156.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.61 -6.71 57.35 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 120.558 -1.339 . . . . 0.0 113.999 174.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -129.59 1.16 4.98 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 128.777 2.831 . . . . 0.0 112.804 -172.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -69.81 -10.2 0.18 Allowed Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 118.203 2.668 . . . . 0.0 118.203 -178.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -38.74 -41.97 1.78 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 123.712 2.942 . . . . 0.0 117.002 176.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -101.47 -7.93 22.41 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 175.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.55 -22.8 56.73 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.398 -1.439 . . . . 0.0 113.11 175.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 17.6 mt -92.48 10.59 29.52 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 118.917 0.78 . . . . 0.0 112.954 170.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 39.0 m -56.88 -32.76 66.17 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.454 1.479 . . . . 0.0 114.218 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.78 -30.11 70.58 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 119.749 1.159 . . . . 0.0 112.891 171.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.3 mt -82.56 -36.79 25.94 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.597 1.159 . . . . 0.0 111.208 177.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 17.6 t -59.82 -41.95 92.43 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 122.196 -0.315 . . . . 0.0 111.341 167.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.5 -47.82 84.48 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.495 1.118 . . . . 0.0 112.11 173.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 tp -47.7 -52.43 18.38 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.144 0.884 . . . . 0.0 111.741 166.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -34.93 76.07 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -174.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.75 -26.28 17.81 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -175.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -104.46 -10.59 17.58 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.14 1.376 . . . . 0.0 113.251 -174.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -123.97 -57.24 1.62 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -174.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 1.5 mp -136.51 -77.54 0.42 Allowed 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 116.258 -1.829 . . . . 0.0 114.282 175.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 147.52 69.02 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 130.992 3.717 . . . . 0.0 113.012 175.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 72.6 t -38.12 110.93 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 C-N-CA 126.592 1.957 . . . . 0.0 112.803 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -66.93 123.81 87.1 Favored Pre-proline 0 CA--C 1.54 0.587 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -172.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -63.25 -38.73 42.47 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.307 2.005 . . . . 0.0 112.156 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 96' ' ' VAL . . . . . 0.4 HG22 ' HB3' ' B' ' 99' ' ' ASP . 53.1 t -64.91 -31.56 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 119.946 -1.721 . . . . 0.0 111.75 176.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -65.43 -30.07 70.83 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.226 0.921 . . . . 0.0 112.272 173.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -46.83 82.54 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.407 1.003 . . . . 0.0 111.786 172.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -57.2 -36.82 71.32 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.926 0.785 . . . . 0.0 111.811 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.42 -59.29 5.48 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.764 0.826 . . . . 0.0 109.274 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -38.24 72.28 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.829 0.852 . . . . 0.0 112.38 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 29.3 t -57.16 -57.14 13.91 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.686 1.194 . . . . 0.0 112.346 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -30.09 71.14 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.332 -0.855 . . . . 0.0 111.324 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 104' ' ' CYS . . . . . 0.426 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 78.8 m -69.81 -32.61 71.15 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 172.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.07 -48.01 59.58 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 119.862 1.21 . . . . 0.0 110.876 169.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 6.6 mt -50.3 -41.05 50.28 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.667 -0.646 . . . . 0.0 111.708 171.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . 0.407 HG23 ' HA ' ' D' ' 112' ' ' CYS . 4.0 t -57.41 -53.18 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 169.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 4.3 p -69.02 -30.81 69.25 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.359 0.981 . . . . 0.0 112.742 -177.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.55 -49.41 54.63 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.944 0.793 . . . . 0.0 110.569 173.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.63 -33.18 60.18 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 172.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.5 -9.12 46.91 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 176.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -131.51 -31.72 1.57 Allowed 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -176.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 9.3 mp -83.4 172.99 8.11 Favored Pre-proline 0 CA--C 1.56 1.341 0 C-N-CA 124.308 1.043 . . . . 0.0 110.904 176.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -58.71 -138.89 0.0 OUTLIER 'Trans proline' 0 CA--C 1.55 1.32 1 C-N-CA 125.817 4.345 . . . . 0.0 114.926 167.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.76 39.32 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.706 2.003 . . . . 0.0 115.222 175.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -38.43 -28.89 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 130.369 3.468 . . . . 0.0 115.679 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -72.0 8.52 1.22 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.721 2.008 . . . . 0.0 116.414 171.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.24 159.4 1.55 Allowed Pre-proline 0 N--CA 1.493 1.717 0 CA-C-N 121.478 1.944 . . . . 0.0 113.197 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -56.05 -44.59 45.48 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 122.059 1.839 . . . . 0.0 112.86 171.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.16 -59.64 3.88 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 119.366 -0.349 . . . . 0.0 110.353 174.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 24.4 t -68.16 -43.88 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 120.321 -1.487 . . . . 0.0 113.184 -171.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -69.8 -48.49 58.94 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 120.024 1.284 . . . . 0.0 112.323 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.47 -43.36 84.0 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 119.852 1.205 . . . . 0.0 110.616 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 54.6 m -62.34 -51.85 66.01 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.468 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.8 -42.0 95.36 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 120.537 1.517 . . . . 0.0 112.757 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.35 -50.48 73.51 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 120.091 1.314 . . . . 0.0 111.816 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 -29.1 59.87 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -70.16 -46.14 65.31 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.576 1.08 . . . . 0.0 110.896 172.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.99 -37.13 81.42 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.396 -1.44 . . . . 0.0 110.413 172.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.55 96.34 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.817 1.044 . . . . 0.0 113.817 171.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 95.3 p -67.38 -40.48 85.72 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 120.413 1.461 . . . . 0.0 111.891 176.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 45.5 t -52.57 -49.37 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.641 1.177 . . . . 0.0 109.701 169.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 30.6 t -57.83 -54.58 45.25 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 172.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 96.9 m -51.38 -34.3 33.68 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.471 1.032 . . . . 0.0 112.247 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 58.1 t -79.37 -42.58 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 123.715 0.806 . . . . 0.0 112.961 173.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -32.49 66.01 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.129 -1.607 . . . . 0.0 112.794 173.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 44.5 p -97.57 -1.37 44.04 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.658 1.983 . . . . 0.0 112.724 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 14.1 t -160.84 126.76 3.91 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.609 1.55 . . . . 0.0 113.81 177.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -56.09 -29.07 60.06 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.88 1.437 . . . . 0.0 114.88 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -161.34 -61.27 0.05 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.878 0.871 . . . . 0.0 112.768 -178.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 125.798 1.639 . . . . 0.0 113.771 -177.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.314 2.4 p . . . . . 0 N--CA 1.514 2.738 0 CA-C-O 117.571 -1.204 . . . . 0.0 112.964 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 27.57 80.07 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 127.851 2.46 . . . . 0.0 116.585 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 mt -57.5 163.44 2.39 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.037 1.335 . . . . 0.0 111.961 174.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.31 156.45 81.44 Favored Pre-proline 0 N--CA 1.485 1.283 0 CA-C-O 118.453 -0.784 . . . . 0.0 109.5 161.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -57.05 -45.83 33.13 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 122.661 2.241 . . . . 0.0 114.754 175.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.58 -35.33 77.23 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.294 -0.879 . . . . 0.0 111.986 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -69.3 -40.85 77.45 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.263 1.025 . . . . 0.0 111.022 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . 0.407 ' HA ' HG11 ' D' ' 11' ' ' VAL . 54.4 tttm -60.45 -45.19 94.57 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.879 1.272 . . . . 0.0 111.587 171.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 34.0 t -54.47 -48.06 72.24 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 122.924 0.49 . . . . 0.0 110.764 175.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.25 -53.11 62.02 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' VAL . . . . . 0.441 HG21 ' CE2' ' D' ' 130' ' ' TYR . 6.3 p -65.59 -42.82 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 119.865 1.211 . . . . 0.0 111.781 -176.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -76.8 -31.32 56.88 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 118.414 0.552 . . . . 0.0 111.752 -175.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.4 -40.84 77.11 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.48 -1.387 . . . . 0.0 112.585 171.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tt -67.72 -29.5 68.75 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.159 -0.963 . . . . 0.0 111.635 173.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -64.95 -45.17 86.85 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.374 0.669 . . . . 0.0 112.08 164.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.6 -35.83 57.79 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.381 1.467 . . . . 0.0 115.007 -176.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -89.91 -10.59 44.61 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 174.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.75 135.67 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 123.917 0.887 . . . . 0.0 111.955 -169.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -83.01 80.96 8.88 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 172.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 46.7 t -50.22 -40.27 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 124.452 1.101 . . . . 0.0 113.653 -168.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.32 -35.56 73.72 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.867 0.867 . . . . 0.0 113.245 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -90.3 -49.68 6.4 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.36 -0.837 . . . . 0.0 111.311 -175.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . 0.483 HG23 HG12 ' D' ' 113' ' ' VAL . 0.5 OUTLIER -59.64 -35.1 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 123.559 0.744 . . . . 0.0 110.843 169.053 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.18 -46.95 67.15 Favored Glycine 0 N--CA 1.468 0.773 0 CA-C-N 119.934 1.243 . . . . 0.0 111.695 176.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.61 -44.13 95.76 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 117.573 0.686 . . . . 0.0 112.744 172.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -65.75 -34.76 78.92 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 124.104 0.962 . . . . 0.0 112.671 174.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.59 -54.54 26.36 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.57 1.532 . . . . 0.0 109.925 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 tp -68.65 -40.87 80.03 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.17 -174.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.33 -58.67 7.79 Favored Glycine 0 N--CA 1.469 0.845 0 CA-C-O 119.031 -0.871 . . . . 0.0 112.421 163.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 -49.44 -31.92 10.8 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.587 1.555 . . . . 0.0 114.185 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tt -79.72 -51.07 9.67 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.251 1.387 . . . . 0.0 112.028 171.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . 0.418 ' HB3' HD12 ' D' ' 48' ' ' LEU . 6.3 mp -73.66 -14.58 61.18 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.399 -0.813 . . . . 0.0 111.842 -171.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' VAL . . . . . 0.459 ' C ' ' H ' ' D' ' 35' ' ' TYR . 34.9 m -85.67 -12.19 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -65.47 11.7 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 CA-C-N 122.13 2.241 . . . . 0.0 113.246 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' TYR . . . . . 0.459 ' H ' ' C ' ' D' ' 33' ' ' VAL . 1.5 t80 36.47 41.37 0.24 Allowed Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 128.554 2.742 . . . . 0.0 114.401 -157.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -76.52 165.04 29.71 Favored 'Trans proline' 0 C--N 1.357 1.026 0 C-N-CA 121.62 1.547 . . . . 0.0 109.968 -174.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 31.7 p90 -51.62 -30.24 20.61 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.233 -0.917 . . . . 0.0 112.349 166.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -31.32 27.9 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.993 1.317 . . . . 0.0 114.057 172.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -59.41 -19.53 47.94 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.823 1.192 . . . . 0.0 113.237 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -62.88 -16.85 60.43 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 120.328 -1.482 . . . . 0.0 113.884 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.32 -1.29 57.94 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 172.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 42' ' ' PHE . . . . . 0.541 ' HB2' HD13 ' D' ' 48' ' ' LEU . 1.6 p90 -62.91 -9.9 11.48 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 117.081 2.252 . . . . 0.0 117.081 -163.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -51.7 -26.3 9.03 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 44' ' ' SER . . . . . 0.42 ' O ' ' HE3' ' D' ' 59' ' ' LYS . 34.0 p -86.74 8.47 22.49 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.278 1.431 . . . . 0.0 114.688 174.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -115.35 -14.97 11.6 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.639 1.175 . . . . 0.0 113.815 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.3 -146.27 24.85 Favored Glycine 0 CA--C 1.535 1.322 0 CA-C-N 120.709 1.595 . . . . 0.0 112.865 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.61 117.79 3.65 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.692 0.797 . . . . 0.0 112.04 176.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 48' ' ' LEU . . . . . 0.541 HD13 ' HB2' ' D' ' 42' ' ' PHE . 8.7 tt -153.63 -23.55 0.14 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -174.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 4.0 m -58.32 -7.91 1.0 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 116.38 1.992 . . . . 0.0 116.38 -169.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 50' ' ' THR . . . . . 0.594 ' HG1' ' H ' ' D' ' 53' ' ' ALA . 34.4 p -142.8 163.68 36.95 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 127.561 2.345 . . . . 0.0 109.453 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -57.36 -49.26 14.28 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 121.973 1.782 . . . . 0.0 112.649 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.38 -38.51 84.15 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.9 0.88 . . . . 0.0 111.958 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . 0.594 ' H ' ' HG1' ' D' ' 50' ' ' THR . . . -59.67 -60.72 3.38 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.88 0.472 . . . . 0.0 111.284 173.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 1.3 p -66.14 -39.01 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -171.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 44.2 mtt -77.62 -22.0 51.42 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -173.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.63 -19.73 19.31 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.364 0.983 . . . . 0.0 114.481 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 57' ' ' ASN . . . . . 0.473 HD21 ' CG2' ' D' ' 60' ' ' VAL . 13.1 t30 -68.14 125.73 91.85 Favored Pre-proline 0 CA--C 1.548 0.893 0 CA-C-N 118.57 1.185 . . . . 0.0 113.835 -172.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.75 -38.91 37.02 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.079 2.519 . . . . 0.0 113.61 -171.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 59' ' ' LYS . . . . . 0.42 ' HE3' ' O ' ' D' ' 44' ' ' SER . 44.0 tttp -63.99 -35.0 79.28 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.621 1.101 . . . . 0.0 113.146 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 60' ' ' VAL . . . . . 0.473 ' CG2' HD21 ' D' ' 57' ' ' ASN . 64.6 t -64.96 -46.37 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.914 0.885 . . . . 0.0 110.695 169.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -64.31 -40.03 95.11 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 119.171 0.896 . . . . 0.0 112.42 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.9 -33.6 72.4 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.435 1.494 . . . . 0.0 114.203 175.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.13 -38.72 82.52 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.472 -1.392 . . . . 0.0 111.165 164.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.13 -51.04 31.92 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.205 1.383 . . . . 0.0 113.416 168.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -52.94 -40.5 63.7 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.297 1.439 . . . . 0.0 113.232 171.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -51.95 11.5 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.715 0.806 . . . . 0.0 112.473 -178.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 16.7 m -56.87 -40.58 72.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 CA-C-N 119.533 1.06 . . . . 0.0 111.389 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tt -84.73 -35.1 22.7 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.964 -1.085 . . . . 0.0 112.756 -175.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.09 -40.39 82.96 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 121.424 -0.798 . . . . 0.0 111.852 165.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.73 -46.57 75.02 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 117.835 0.818 . . . . 0.0 112.986 170.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . 0.415 ' CD2' HD22 ' D' ' 110' ' ' LEU . 51.4 m-85 -54.23 -33.69 58.95 Favored 'General case' 0 CA--C 1.556 1.194 0 CA-C-N 121.002 1.728 . . . . 0.0 112.586 170.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -41.18 75.26 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 170.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -55.21 -33.15 62.82 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.748 1.158 . . . . 0.0 111.72 169.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.07 -63.96 4.71 Favored Glycine 0 C--N 1.338 0.676 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 166.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.5 mt -53.08 -21.97 5.42 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.18 -25.59 25.59 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.821 1.648 . . . . 0.0 114.93 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -144.29 44.01 1.42 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.537 1.535 . . . . 0.0 112.902 -170.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.64 -18.64 32.24 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.36 -38.56 71.57 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.212 1.405 . . . . 0.0 114.085 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -157.97 90.76 1.08 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.928 0.891 . . . . 0.0 112.77 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 71.4 mt -65.55 -27.06 68.17 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -67.33 4.34 1.0 Allowed 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -174.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -122.0 -42.23 0.45 Allowed Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.738 1.637 . . . . 0.0 112.98 176.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 5.8 p -70.96 -24.97 62.52 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.352 1.076 . . . . 0.0 113.481 173.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -106.19 -3.72 21.05 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.42 -41.18 65.76 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 120.099 1.318 . . . . 0.0 114.522 -171.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 15.0 p -64.89 -34.61 78.79 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.325 1.05 . . . . 0.0 112.788 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 43.3 mt -74.35 -37.6 63.46 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.455 1.102 . . . . 0.0 111.286 175.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -60.8 -44.68 96.54 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.391 0.996 . . . . 0.0 111.045 170.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -60.22 -38.77 84.4 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.621 0.768 . . . . 0.0 111.971 171.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 15.1 tp -69.36 -57.52 5.19 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.087 -1.008 . . . . 0.0 111.87 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -73.7 -12.44 60.73 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -176.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 78.4 m -109.7 -90.35 0.47 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.032 0.933 . . . . 0.0 110.538 167.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -51.7 -34.61 39.44 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 116.196 1.925 . . . . 0.0 116.196 -167.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -87.02 -53.24 4.98 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.381 1.072 . . . . 0.0 113.77 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 52.4 mt -105.44 -33.24 8.2 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.067 1.347 . . . . 0.0 113.223 -170.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 41.94 31.02 0.2 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 128.152 2.581 . . . . 0.0 115.437 -174.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -57.72 145.85 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 O-C-N 121.267 -0.896 . . . . 0.0 110.772 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -58.57 130.6 85.09 Favored Pre-proline 0 CA--C 1.549 0.927 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -160.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.73 -37.45 56.35 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 122.572 2.182 . . . . 0.0 114.354 -164.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.97 -27.9 6.06 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.369 -1.457 . . . . 0.0 114.381 171.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.9 -34.97 77.01 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.147 -0.971 . . . . 0.0 112.06 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -64.25 -41.19 97.06 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.791 1.632 . . . . 0.0 111.065 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -63.3 -47.1 83.68 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.973 0.509 . . . . 0.0 109.819 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 96.8 mt -56.03 -49.25 74.22 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.826 174.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -43.37 98.15 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.566 1.075 . . . . 0.0 110.74 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.67 -56.21 26.33 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 124.217 0.913 . . . . 0.0 113.986 176.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.91 -40.35 88.51 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.179 0.99 . . . . 0.0 111.036 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 13.7 t -59.89 -42.51 89.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 118.499 -0.762 . . . . 0.0 112.512 175.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . 0.415 HD22 ' CD2' ' D' ' 71' ' ' PHE . 6.9 tp -57.16 -52.57 64.76 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 118.608 0.64 . . . . 0.0 110.637 177.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.33 -39.09 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 CA-C-N 118.575 0.625 . . . . 0.0 109.826 -177.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 112' ' ' CYS . . . . . 0.407 ' HA ' HG23 ' C' ' 107' ' ' VAL . 10.6 t -73.05 -33.33 65.63 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 177.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 113' ' ' VAL . . . . . 0.483 HG12 HG23 ' D' ' 23' ' ' VAL . 1.6 p -61.67 -37.6 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 121.136 1.789 . . . . 0.0 111.719 171.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 mt -64.11 -35.75 81.77 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.922 -0.486 . . . . 0.0 110.076 177.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.19 -34.26 74.63 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 170.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -59.15 -60.31 4.06 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 120.413 1.461 . . . . 0.0 110.198 168.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -71.09 -26.22 62.95 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -167.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -130.55 40.57 3.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.468 1.107 . . . . 0.0 112.271 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -55.5 -5.21 0.74 Allowed Glycine 0 CA--C 1.541 1.659 0 C-N-CA 126.369 1.938 . . . . 0.0 117.41 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -85.28 -21.72 28.89 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.732 1.266 . . . . 0.0 113.117 170.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -135.64 6.13 3.2 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.792 1.637 . . . . 0.0 113.174 -170.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -61.62 29.99 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 128.974 2.91 . . . . 0.0 117.027 176.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 123' ' ' THR . . . . . 0.662 ' HG1' ' H ' ' D' ' 126' ' ' VAL . 16.2 p -42.31 147.9 0.55 Allowed Pre-proline 0 N--CA 1.482 1.136 0 C-N-CA 125.836 1.654 . . . . 0.0 115.263 -167.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -43.62 -46.89 9.94 Favored 'Trans proline' 0 CA--C 1.547 1.162 0 C-N-CA 122.687 2.258 . . . . 0.0 114.64 171.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.45 -32.91 18.91 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 121.706 1.604 . . . . 0.0 114.745 173.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 126' ' ' VAL . . . . . 0.662 ' H ' ' HG1' ' D' ' 123' ' ' THR . 0.5 OUTLIER -67.33 -39.57 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 122.288 2.313 . . . . 0.0 112.093 177.311 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -63.4 -41.56 98.75 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.261 0.624 . . . . 0.0 110.815 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.56 -41.21 96.47 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 173.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.36 -47.58 84.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 119.139 0.882 . . . . 0.0 111.959 172.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 130' ' ' TYR . . . . . 0.441 ' CE2' HG21 ' D' ' 11' ' ' VAL . 10.6 m-85 -52.19 -50.25 62.25 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 118.826 -0.607 . . . . 0.0 111.043 167.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -57.29 -37.93 73.19 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.4 1.0 . . . . 0.0 113.508 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -72.33 -44.03 63.24 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 120.473 1.488 . . . . 0.0 112.359 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 23.1 m -63.23 -38.54 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 CA-C-N 119.822 1.192 . . . . 0.0 111.051 172.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 22.5 t -61.08 -43.27 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.972 1.309 . . . . 0.0 111.955 172.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.99 -34.99 74.04 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.569 1.077 . . . . 0.0 112.407 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -61.89 -49.09 79.21 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 121.445 -0.785 . . . . 0.0 111.365 167.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 22.3 t -56.9 -46.17 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 123.732 0.813 . . . . 0.0 112.187 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -51.55 -54.71 24.58 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.356 1.063 . . . . 0.0 112.007 173.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -58.78 -39.97 82.61 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 176.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.44 -50.42 67.62 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.703 0.683 . . . . 0.0 112.331 177.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.59 -42.36 99.52 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.181 0.9 . . . . 0.0 111.549 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.45 -11.78 36.89 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -62.75 -18.26 62.3 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 120.423 1.465 . . . . 0.0 114.275 -173.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -87.29 1.78 52.18 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.324 1.45 . . . . 0.0 113.863 171.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -136.16 -18.16 1.56 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.858 1.663 . . . . 0.0 114.744 -177.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 79.2 m80 . . . . . 0 C--O 1.257 1.489 0 C-N-CA 128.354 2.662 . . . . 0.0 114.079 179.071 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.512 2.647 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mp -147.81 176.07 10.42 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 126.551 1.941 . . . . 0.0 111.408 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.76 151.48 71.09 Favored Pre-proline 0 N--CA 1.478 0.973 0 CA-C-N 119.289 0.95 . . . . 0.0 112.132 175.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -51.3 -43.12 51.12 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.162 3.241 . . . . 0.0 114.868 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.38 93.83 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.832 0.453 . . . . 0.0 111.457 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -58.08 -45.38 87.26 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 122.987 0.515 . . . . 0.0 110.805 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -58.92 -51.57 69.47 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.76 0.824 . . . . 0.0 109.956 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.1 m -57.13 -47.18 81.76 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.103 0.865 . . . . 0.0 112.041 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -61.83 -43.34 99.05 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.101 0.56 . . . . 0.0 111.606 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 36.5 t -63.25 -47.41 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.53 1.132 . . . . 0.0 112.217 175.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.64 -44.37 96.46 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.568 1.077 . . . . 0.0 111.07 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -52.21 66.59 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.113 0.565 . . . . 0.0 111.222 174.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.31 -52.36 63.72 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.0 0.92 . . . . 0.0 112.133 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -62.94 -29.24 70.64 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.661 0.785 . . . . 0.0 113.065 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.58 -41.91 99.66 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.494 1.045 . . . . 0.0 113.323 169.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -33.13 67.77 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.502 1.151 . . . . 0.0 111.898 172.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.84 -49.2 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 123.604 0.761 . . . . 0.0 111.489 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.48 -139.63 9.01 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 123.854 0.74 . . . . 0.0 113.844 -177.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.41 -21.13 59.5 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 114.468 1.285 . . . . 0.0 114.468 177.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -67.27 -10.25 48.81 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.35 -47.06 37.33 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.452 1.101 . . . . 0.0 113.501 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.27 -36.2 92.91 Favored Glycine 0 C--N 1.341 0.855 0 CA-C-O 119.742 -0.476 . . . . 0.0 113.169 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -62.27 -50.59 71.11 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.93 0.892 . . . . 0.0 110.451 172.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -63.98 -37.43 87.39 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 122.988 0.515 . . . . 0.0 111.977 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.52 -50.52 58.79 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 124.016 0.817 . . . . 0.0 112.814 172.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.36 -48.23 77.25 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.592 1.196 . . . . 0.0 111.568 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -62.26 -37.89 87.19 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.881 0.873 . . . . 0.0 112.851 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.03 -39.93 87.12 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 119.31 0.959 . . . . 0.0 111.964 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.4 mt -64.02 -51.05 66.03 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.978 0.911 . . . . 0.0 110.909 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.07 -50.11 73.77 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.678 0.391 . . . . 0.0 110.709 175.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -50.98 -48.6 61.13 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 117.832 -1.08 . . . . 0.0 111.732 173.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -55.62 -40.23 71.85 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.289 0.949 . . . . 0.0 112.938 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -66.4 -32.42 73.79 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.181 1.355 . . . . 0.0 114.292 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.91 -35.24 14.85 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 177.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.0 p -76.7 -34.72 58.15 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.41 1.084 . . . . 0.0 112.39 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.14 66.3 59.61 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.585 1.554 . . . . 0.0 109.506 -175.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -45.6 -28.48 4.38 Favored 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 124.534 3.49 . . . . 0.0 115.557 -171.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -41.27 -36.25 0.76 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.238 1.415 . . . . 0.0 113.804 170.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.6 p -65.45 -26.99 68.2 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 119.89 -1.756 . . . . 0.0 114.929 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -28.28 69.55 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 120.343 1.429 . . . . 0.0 112.143 168.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -23.23 67.24 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.328 1.051 . . . . 0.0 112.993 176.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -68.53 -7.81 35.73 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 173.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 t80 63.42 58.31 2.0 Allowed Pre-proline 0 CA--C 1.56 1.339 0 C-N-CA 124.97 1.308 . . . . 0.0 113.744 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -56.66 169.52 1.72 Allowed 'Trans proline' 0 CA--C 1.546 1.078 0 C-N-CA 123.943 3.095 . . . . 0.0 115.125 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -128.54 6.42 5.7 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.575 1.695 . . . . 0.0 115.575 -173.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -81.26 23.02 0.62 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -172.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.93 -39.91 0.27 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 128.362 2.665 . . . . 0.0 115.69 -173.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.0 mt 56.68 18.93 3.96 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 127.44 2.296 . . . . 0.0 114.911 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.9 m -70.38 20.99 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 127.484 2.314 . . . . 0.0 115.938 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 61.81 141.56 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 128.027 2.531 . . . . 0.0 113.723 -162.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.9 32.91 67.01 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.34 0.972 . . . . 0.0 114.612 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 t -53.24 121.23 7.14 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.574 1.15 . . . . 0.0 113.432 -172.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.17 -21.02 65.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.975 0.91 . . . . 0.0 113.17 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -80.83 -41.57 23.03 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.674 -0.641 . . . . 0.0 110.593 174.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.7 t -62.52 -43.88 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 O-C-N 121.446 -0.784 . . . . 0.0 111.964 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -61.5 -40.85 96.1 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 119.818 1.19 . . . . 0.0 112.512 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.66 -53.23 32.68 Favored Glycine 0 N--CA 1.47 0.924 0 C-N-CA 124.377 0.989 . . . . 0.0 111.583 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -52.24 -46.55 65.78 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.592 0.757 . . . . 0.0 111.481 172.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.11 -46.01 62.53 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.221 0.915 . . . . 0.0 114.282 173.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -37.36 78.39 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 119.205 1.502 . . . . 0.0 112.731 172.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -72.88 -42.92 63.12 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.603 0.761 . . . . 0.0 110.835 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.3 t -54.59 -47.09 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 119.346 0.976 . . . . 0.0 110.716 168.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.03 83.6 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -62.21 -38.31 88.64 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.967 0.803 . . . . 0.0 112.136 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.68 -38.36 87.5 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 170.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.76 -46.36 88.38 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.595 0.758 . . . . 0.0 111.303 170.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.8 m -57.28 -43.99 83.62 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.713 1.142 . . . . 0.0 112.011 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -60.17 -43.88 95.49 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.44 1.096 . . . . 0.0 111.397 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.81 -42.52 97.82 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 118.318 -0.849 . . . . 0.0 112.167 172.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.9 t -62.97 -46.6 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 119.994 1.27 . . . . 0.0 111.397 174.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.02 -28.07 69.32 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.304 1.441 . . . . 0.0 113.65 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -129.68 36.23 4.1 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 125.507 1.523 . . . . 0.0 111.689 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.5 p -66.64 -11.9 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 120.103 -1.623 . . . . 0.0 114.686 -171.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -88.5 -10.2 49.8 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 120.438 -1.414 . . . . 0.0 114.098 168.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -140.42 2.36 1.84 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.072 1.749 . . . . 0.0 114.191 -165.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . 0.328 0.0 OUTLIER -63.92 -17.29 0.4 Allowed Pre-proline 0 CA--C 1.545 0.777 0 CA-C-O 114.609 -2.615 . . . . 0.0 117.848 -177.664 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.405 ' HA ' HG12 ' A' ' 135' ' ' VAL . 4.4 Cg_exo -38.05 -29.44 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 124.995 3.797 . . . . 0.0 118.482 171.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -115.37 -16.12 11.48 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.01 -17.74 63.96 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 120.555 -1.341 . . . . 0.0 114.388 177.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.6 mt -100.28 10.21 41.56 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.937 0.895 . . . . 0.0 112.573 171.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.9 t -55.62 -41.51 73.6 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.394 1.078 . . . . 0.0 113.083 -178.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.3 -27.17 67.08 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.034 -1.041 . . . . 0.0 113.481 173.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mt -82.63 -38.84 22.96 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.865 0.866 . . . . 0.0 111.033 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.0 t -55.01 -44.93 75.02 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 119.301 -0.381 . . . . 0.0 110.811 162.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -61.14 -50.33 73.64 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.849 0.86 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.71 -38.07 80.62 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.326 -0.859 . . . . 0.0 112.023 175.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -68.05 -65.64 0.67 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.458 0.572 . . . . 0.0 109.987 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.77 -51.37 56.83 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.386 1.474 . . . . 0.0 113.033 -174.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -73.44 -3.83 29.9 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -174.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -139.63 -44.48 0.44 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -172.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.76 -41.84 0.28 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 -167.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 48.09 37.74 8.48 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.701 1.6 . . . . 0.0 114.284 165.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.4 t -56.08 139.68 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.675 1.19 . . . . 0.0 110.271 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.61 132.94 93.24 Favored Pre-proline 0 CA--C 1.544 0.712 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -173.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -39.6 -31.24 0.38 Allowed 'Trans proline' 0 C--N 1.353 0.784 1 C-N-CA 126.324 4.683 . . . . 0.0 117.765 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.0 t -44.1 -34.58 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 121.703 2.047 . . . . 0.0 112.734 171.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -56.89 -36.93 70.7 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 174.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 133' ' ' SER . 0.0 OUTLIER -54.69 -44.53 73.47 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 171.688 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -61.35 -36.76 81.09 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.444 0.698 . . . . 0.0 110.492 -170.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 mt -65.15 -55.37 19.05 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.388 1.475 . . . . 0.0 109.775 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -37.66 77.42 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.782 0.833 . . . . 0.0 111.366 177.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.3 m -73.49 -36.96 65.87 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.898 1.279 . . . . 0.0 114.227 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -56.4 -46.73 80.01 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.147 0.885 . . . . 0.0 110.548 162.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 74.3 m -62.91 -38.59 91.56 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.709 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.0 mt -57.5 -55.87 29.28 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 124.401 1.08 . . . . 0.0 110.349 168.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.3 mt -52.2 -38.56 58.27 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.851 1.205 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.2 t -58.93 -56.42 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.138 0.975 . . . . 0.0 112.348 169.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -36.18 81.43 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.433 1.015 . . . . 0.0 111.995 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.6 mt -59.52 -59.58 5.22 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 123.92 0.888 . . . . 0.0 108.614 172.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.09 -27.19 19.17 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.882 1.219 . . . . 0.0 114.276 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.15 -29.1 31.78 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 176.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -131.8 -18.28 2.74 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -166.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 tt -105.14 128.47 26.58 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 128.408 2.683 . . . . 0.0 106.655 173.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -69.83 74.44 1.32 Allowed 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 122.996 2.464 . . . . 0.0 110.681 170.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.36 -15.72 63.84 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.287 1.035 . . . . 0.0 112.545 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 56.94 9.62 0.65 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.932 1.693 . . . . 0.0 113.344 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 8.9 p90 44.0 24.53 0.08 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 128.666 2.786 . . . . 0.0 115.048 177.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.57 160.21 77.76 Favored Pre-proline 0 N--CA 1.468 0.465 0 C-N-CA 125.068 1.347 . . . . 0.0 111.088 -175.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -59.51 -44.81 29.77 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 121.843 1.695 . . . . 0.0 112.346 168.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.9 -49.03 76.8 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 117.98 0.354 . . . . 0.0 111.062 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.9 t -75.04 -50.68 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 120.661 -1.275 . . . . 0.0 112.31 -177.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -65.92 -41.2 91.68 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 120.625 -1.297 . . . . 0.0 111.557 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.56 -57.6 9.62 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.05 173.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 91.4 p -55.5 -43.48 75.7 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 117.155 -1.402 . . . . 0.0 112.714 -175.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.74 -49.28 66.48 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 120.574 1.534 . . . . 0.0 111.132 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -59.25 -50.57 73.51 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.555 1.07 . . . . 0.0 112.204 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -28.76 64.67 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -63.07 -49.04 76.08 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 119.73 1.15 . . . . 0.0 110.422 169.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.45 -33.38 75.44 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.194 0.906 . . . . 0.0 111.092 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.18 -39.54 86.82 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 119.632 1.106 . . . . 0.0 113.112 167.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.3 t -66.56 -45.28 79.87 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.727 -1.233 . . . . 0.0 112.655 173.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 64.0 t -54.08 -45.85 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.021 0.928 . . . . 0.0 109.899 171.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.429 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . 32.1 t -60.29 -54.6 43.84 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.667 1.187 . . . . 0.0 113.632 174.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 21.2 m -50.54 -42.27 55.0 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.531 1.06 . . . . 0.0 110.547 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 77' ' ' PRO . 70.7 t -68.88 -47.14 77.56 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 118.316 -0.85 . . . . 0.0 112.801 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -29.19 65.48 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.627 1.558 . . . . 0.0 112.925 174.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 89.2 m -76.56 -15.21 59.91 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 128.042 2.537 . . . . 0.0 113.034 175.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.4 m -119.4 157.87 27.32 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.273 1.429 . . . . 0.0 112.748 -173.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.58 -30.36 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 -173.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -145.17 120.34 10.14 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 125.742 1.617 . . . . 0.0 109.521 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 . . . . . 0 C--O 1.256 1.415 0 C-N-CA 125.549 1.54 . . . . 0.0 113.936 -175.068 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.32 3.5 p . . . . . 0 N--CA 1.516 2.864 0 CA-C-O 116.928 -1.511 . . . . 0.0 112.787 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 22.27 73.47 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 127.831 2.453 . . . . 0.0 115.227 -176.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.29 163.31 13.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.932 0.493 . . . . 0.0 111.731 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.56 152.03 90.48 Favored Pre-proline 0 N--CA 1.48 1.041 0 CA-C-O 118.504 -0.76 . . . . 0.0 109.581 166.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -53.51 -38.41 83.38 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.881 2.387 . . . . 0.0 114.658 173.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -71.79 -43.22 66.05 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.534 -0.729 . . . . 0.0 112.216 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.51 -42.87 95.54 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.679 -0.638 . . . . 0.0 111.364 175.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.09 -52.86 59.63 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.792 1.237 . . . . 0.0 110.827 170.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -54.19 -45.91 72.26 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 118.722 0.692 . . . . 0.0 111.353 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.04 -52.77 64.14 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.516 HG21 ' CE1' ' B' ' 130' ' ' TYR . 4.0 p -65.12 -50.16 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-N 119.76 1.164 . . . . 0.0 112.467 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -70.68 -36.07 73.14 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.167 0.894 . . . . 0.0 112.171 -172.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.26 -37.7 88.43 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.503 1.047 . . . . 0.0 111.989 172.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.406 ' HA ' ' HE3' ' B' ' 17' ' ' LYS . 1.5 tt -66.92 -39.4 87.35 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.44 -0.788 . . . . 0.0 111.202 172.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -25.8 61.34 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 164.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.82 -38.89 85.83 Favored Glycine 0 CA--C 1.535 1.284 0 CA-C-N 118.847 0.749 . . . . 0.0 113.239 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' B' ' 14' ' ' LEU . 5.2 ptpt -89.49 -19.4 25.12 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 177.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.414 HG23 HG13 ' B' ' 23' ' ' VAL . 0.5 OUTLIER -53.6 133.73 16.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 124.34 1.056 . . . . 0.0 113.139 -169.015 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -87.19 85.03 7.17 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.937 0.895 . . . . 0.0 108.851 174.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.4 t -52.26 -35.56 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 124.305 1.042 . . . . 0.0 113.485 -169.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -44.09 86.41 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.944 1.297 . . . . 0.0 113.046 174.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -95.51 -38.39 10.46 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.658 -0.651 . . . . 0.0 111.444 -167.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.414 HG13 HG23 ' B' ' 18' ' ' VAL . 0.4 OUTLIER -63.66 -34.98 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 O-C-N 121.382 -0.824 . . . . 0.0 110.613 165.581 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.29 -46.81 67.79 Favored Glycine 0 N--CA 1.468 0.797 0 CA-C-O 119.478 -0.623 . . . . 0.0 111.61 174.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.32 -42.83 95.75 Favored Glycine 0 N--CA 1.47 0.931 0 CA-C-N 118.044 0.922 . . . . 0.0 113.746 170.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -64.5 -38.27 90.42 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 123.533 0.733 . . . . 0.0 112.195 173.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.95 -51.49 39.12 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 119.605 1.093 . . . . 0.0 111.801 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.452 HD23 ' CD2' ' B' ' 63' ' ' HIS . 1.0 OUTLIER -75.77 -22.44 56.43 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.37 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.93 -58.93 6.32 Favored Glycine 0 N--CA 1.464 0.541 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 164.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -53.87 -33.98 58.03 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.65 -1.5 . . . . 0.0 112.623 176.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.447 ' HA ' HG23 ' B' ' 109' ' ' VAL . 58.9 tp -49.85 -39.77 40.19 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.504 1.122 . . . . 0.0 113.184 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.04 -11.19 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 118.624 -0.703 . . . . 0.0 112.217 -168.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.473 ' CG1' HG13 ' B' ' 54' ' ' VAL . 15.2 m -62.34 -24.86 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 119.598 1.09 . . . . 0.0 111.8 166.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -58.68 1.53 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 173.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . 0.421 ' H ' ' C ' ' B' ' 33' ' ' VAL . 0.2 OUTLIER 47.69 38.19 0.45 Allowed Pre-proline 0 CA--C 1.557 1.22 0 C-N-CA 126.533 1.933 . . . . 0.0 114.397 -168.654 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -77.51 178.92 7.03 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 122.809 2.339 . . . . 0.0 110.733 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 13.9 p90 -50.09 -31.74 14.03 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 120.918 -1.114 . . . . 0.0 113.063 167.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.27 -25.12 61.41 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.855 1.262 . . . . 0.0 113.956 174.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -27.1 59.94 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.221 0.919 . . . . 0.0 111.153 173.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 ptt-85 -48.9 -38.91 24.06 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.925 1.239 . . . . 0.0 113.894 174.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.04 0.33 45.38 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.603 1.161 . . . . 0.0 112.087 -174.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.57 -35.2 40.16 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.528 -1.358 . . . . 0.0 114.513 177.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -59.92 -16.42 29.49 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 18.1 t -85.0 -23.44 28.67 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.726 ' HB2' HD13 ' B' ' 48' ' ' LEU . 12.0 m-85 -96.15 -2.59 46.11 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.893 -1.129 . . . . 0.0 113.344 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.1 31.51 75.06 Favored Glycine 0 N--CA 1.478 1.459 0 N-CA-C 116.321 1.288 . . . . 0.0 116.321 162.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.566 ' C ' HD11 ' B' ' 48' ' ' LEU . 0.5 OUTLIER -165.76 -129.6 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.85 1.66 . . . . 0.0 108.715 -172.797 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.726 HD13 ' HB2' ' B' ' 45' ' ' PHE . 0.2 OUTLIER 63.3 -8.06 0.15 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 127.855 2.462 . . . . 0.0 116.71 168.407 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 41.8 m -57.0 -18.41 13.57 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.302 1.841 . . . . 0.0 114.401 172.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' THR . . . . . 0.45 ' HG1' ' H ' ' B' ' 53' ' ' ALA . 1.4 p -141.16 162.69 46.57 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 125.748 1.619 . . . . 0.0 110.78 178.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -55.48 -54.65 3.94 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.825 2.35 . . . . 0.0 112.082 172.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -61.74 -39.29 91.06 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.011 0.925 . . . . 0.0 111.853 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.45 ' H ' ' HG1' ' B' ' 50' ' ' THR . . . -56.07 -46.81 78.84 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 123.22 0.608 . . . . 0.0 110.913 173.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.473 HG13 ' CG1' ' B' ' 33' ' ' VAL . 0.3 OUTLIER -70.93 -46.56 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 119.964 1.256 . . . . 0.0 113.35 -178.644 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 1.7 mtt -70.43 -23.3 62.7 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.801 0.728 . . . . 0.0 112.037 -173.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.58 -11.0 49.01 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.884 1.231 . . . . 0.0 115.268 174.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -61.6 120.16 53.65 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-N 119.882 1.841 . . . . 0.0 111.658 -176.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -63.72 -24.76 68.84 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.91 2.407 . . . . 0.0 113.488 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -76.11 -47.27 25.06 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.029 1.286 . . . . 0.0 112.885 -178.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -66.4 -34.1 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 CA-C-N 119.264 0.938 . . . . 0.0 112.444 170.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -57.86 -57.51 12.47 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.465 1.03 . . . . 0.0 111.419 167.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.75 -50.84 69.31 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.414 1.486 . . . . 0.0 112.905 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' HIS . . . . . 0.452 ' CD2' HD23 ' B' ' 28' ' ' LEU . 0.9 OUTLIER -64.63 -33.98 77.2 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.53 -0.732 . . . . 0.0 111.674 174.786 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.79 -40.48 64.38 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 125.386 1.469 . . . . 0.0 112.815 168.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.28 -41.02 98.96 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.766 -0.844 . . . . 0.0 111.777 173.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -63.7 -52.41 60.69 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.443 0.697 . . . . 0.0 111.105 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.41 HG11 ' C1B' ' B' ' 201' ' ' HEC . 30.7 m -59.48 -46.93 92.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 122.591 0.356 . . . . 0.0 111.029 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.38 -38.26 68.53 Favored 'General case' 0 C--O 1.224 -0.275 0 O-C-N 121.26 -0.9 . . . . 0.0 111.768 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.07 -42.6 55.02 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.009 0.814 . . . . 0.0 111.64 172.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.97 -47.27 81.05 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 170.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.495 ' CE2' HD21 ' B' ' 110' ' ' LEU . 2.3 m-30 -55.46 -37.07 67.28 Favored 'General case' 0 CA--C 1.554 1.098 0 O-C-N 120.195 -1.566 . . . . 0.0 111.655 175.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.1 t -67.72 -42.89 81.24 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.335 1.454 . . . . 0.0 113.254 172.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -56.15 -31.58 63.48 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.01 0.823 . . . . 0.0 111.886 167.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.25 -61.97 6.35 Favored Glycine 0 C--N 1.337 0.637 0 C-N-CA 124.482 1.039 . . . . 0.0 110.986 169.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 mt -54.13 -27.81 35.76 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.88 -27.35 54.99 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 172.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -143.03 54.8 1.37 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.221 1.808 . . . . 0.0 112.477 -171.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.06 -11.49 59.09 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.809 -1.182 . . . . 0.0 113.813 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -59.29 -38.47 80.28 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.895 1.278 . . . . 0.0 113.661 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -153.91 107.47 2.96 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.537 1.535 . . . . 0.0 110.374 175.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.3 mt -83.01 -21.76 33.79 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 173.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -69.31 -7.59 38.46 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.575 -1.328 . . . . 0.0 113.888 -174.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -115.71 -46.42 0.56 Allowed Glycine 0 CA--C 1.536 1.367 0 C-N-CA 125.779 1.657 . . . . 0.0 113.577 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.2 p -60.67 -26.75 67.32 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 118.669 1.235 . . . . 0.0 113.386 173.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -108.55 -1.98 19.25 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 118.012 -0.994 . . . . 0.0 113.362 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.74 -38.8 67.58 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 120.637 1.562 . . . . 0.0 114.239 -174.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 6.5 p -64.38 -35.48 81.03 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.426 1.09 . . . . 0.0 112.666 172.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 45.3 mt -73.03 -39.63 65.8 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.821 0.848 . . . . 0.0 111.046 173.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.5 m -56.26 -47.86 77.71 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.827 -1.171 . . . . 0.0 111.077 171.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -62.41 -43.92 97.68 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.978 1.311 . . . . 0.0 112.83 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 44.6 tp -58.8 -53.06 62.6 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.29 -0.881 . . . . 0.0 111.84 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -77.12 6.06 7.16 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 18.8 p -119.63 -76.49 0.58 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.724 0.693 . . . . 0.0 110.988 161.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.38 -22.78 65.28 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 115.211 1.559 . . . . 0.0 115.211 -167.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.26 -28.6 11.79 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.159 0.984 . . . . 0.0 113.126 173.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 52.5 mt -142.11 38.05 1.58 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.703 1.201 . . . . 0.0 113.438 -163.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -6.07 -60.45 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 118.816 2.895 . . . . 0.0 118.816 -167.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 2.7 p 24.41 98.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 129.204 3.002 . . . . 0.0 116.089 173.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -9.48 110.41 0.04 OUTLIER Pre-proline 0 CA--C 1.553 1.088 0 C-N-CA 125.465 1.506 . . . . 0.0 114.861 155.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -53.2 -24.5 26.54 Favored 'Trans proline' 0 CA--C 1.547 1.147 0 C-N-CA 122.231 1.954 . . . . 0.0 114.494 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -46.29 -36.09 5.92 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 119.445 -2.034 . . . . 0.0 114.296 166.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -68.24 -27.45 66.36 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 117.549 -1.215 . . . . 0.0 114.214 174.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . 0.437 ' CE1' ' CB ' ' B' ' 138' ' ' ALA . 0.3 OUTLIER -60.4 -40.85 92.43 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 121.069 1.759 . . . . 0.0 109.355 166.11 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . 0.401 ' N ' ' CD1' ' B' ' 103' ' ' PHE . 31.0 ttp85 -71.77 -42.68 66.87 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.876 -0.515 . . . . 0.0 110.509 -168.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 mp -54.67 -46.3 74.04 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.606 166.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.28 -44.43 79.78 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.86 1.209 . . . . 0.0 112.028 176.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.64 -60.67 8.49 Favored Glycine 0 CA--C 1.523 0.59 0 C-N-CA 123.002 0.334 . . . . 0.0 113.371 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -56.21 -34.94 66.75 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.741 0.817 . . . . 0.0 112.484 178.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.447 HG23 ' HA ' ' B' ' 31' ' ' LEU . 43.0 t -71.09 -46.71 65.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 121.05 -1.031 . . . . 0.0 111.613 176.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.495 HD21 ' CE2' ' B' ' 71' ' ' PHE . 51.1 tp -58.22 -41.39 83.95 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.816 1.189 . . . . 0.0 111.439 -178.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 m -65.14 -30.55 50.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 121.21 -0.931 . . . . 0.0 111.659 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 29.6 t -71.95 -39.4 69.4 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.146 -0.971 . . . . 0.0 113.339 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -41.99 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 120.381 -1.449 . . . . 0.0 111.834 171.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.8 -39.7 89.89 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.288 0.495 . . . . 0.0 110.728 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.38 -28.94 63.64 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 169.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -79.15 -56.24 4.51 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 120.623 1.556 . . . . 0.0 112.849 171.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.09 -24.92 66.79 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -170.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -134.36 27.67 3.75 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.34 1.456 . . . . 0.0 112.503 -176.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -51.09 -39.88 42.59 Favored Glycine 0 N--CA 1.475 1.253 0 N-CA-C 116.806 1.482 . . . . 0.0 116.806 -168.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -67.52 -13.96 62.52 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -114.87 1.14 13.98 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.984 2.113 . . . . 0.0 111.313 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -94.21 68.04 3.62 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.083 1.353 . . . . 0.0 112.08 -174.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.681 ' HG1' ' H ' ' B' ' 126' ' ' VAL . 30.8 p -57.73 156.69 16.99 Favored Pre-proline 0 N--CA 1.474 0.761 0 C-N-CA 124.364 1.065 . . . . 0.0 112.332 -175.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -46.46 -52.64 7.07 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 121.728 1.619 . . . . 0.0 113.226 168.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -64.35 -28.83 63.25 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 CA-C-O 116.673 -1.47 . . . . 0.0 114.231 177.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . 0.681 ' H ' ' HG1' ' B' ' 123' ' ' THR . 0.4 OUTLIER -61.5 -42.45 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 122.116 2.234 . . . . 0.0 110.977 174.603 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.16 -50.0 75.41 Favored 'General case' 0 N--CA 1.461 0.09 0 O-C-N 121.697 -0.627 . . . . 0.0 110.48 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.62 -23.33 66.79 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.65 -49.45 47.31 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.516 ' CE1' HG21 ' B' ' 11' ' ' VAL . 61.3 m-85 -53.81 -48.71 69.61 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.24 166.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -56.34 -36.99 69.37 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.716 1.144 . . . . 0.0 112.371 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -71.88 -43.32 65.62 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.967 1.258 . . . . 0.0 114.345 173.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.56 -45.76 90.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 CA-C-N 120.868 1.667 . . . . 0.0 109.96 173.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 50.2 t -78.65 -29.19 14.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 CA-C-O 117.51 -1.233 . . . . 0.0 112.192 -171.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.82 -36.22 83.64 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 121.121 1.782 . . . . 0.0 112.166 166.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -65.71 -49.44 59.55 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 121.04 -1.038 . . . . 0.0 112.358 168.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -44.23 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.331 1.053 . . . . 0.0 111.572 179.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . 0.437 ' CB ' ' CE1' ' B' ' 103' ' ' PHE . . . -51.44 -58.6 5.83 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 127.066 2.146 . . . . 0.0 112.091 170.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -57.55 -36.52 71.74 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.225 0.61 . . . . 0.0 112.119 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.36 75.12 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.724 -0.655 . . . . 0.0 112.572 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.78 -38.42 90.94 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 120.952 1.706 . . . . 0.0 111.848 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.91 -11.87 42.76 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.423 1.489 . . . . 0.0 113.896 171.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -57.03 -30.08 63.92 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 120.539 1.518 . . . . 0.0 113.609 -176.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -87.29 5.22 39.48 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 175.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.32 -17.41 4.24 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 126.395 1.878 . . . . 0.0 113.386 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.255 1.369 0 C-N-CA 129.256 3.022 . . . . 0.0 117.613 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.51 2.568 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mp -147.82 175.98 10.5 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 126.654 1.982 . . . . 0.0 111.363 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.64 151.57 71.53 Favored Pre-proline 0 N--CA 1.481 1.082 0 CA-C-N 119.11 0.868 . . . . 0.0 112.123 175.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.37 -42.98 52.28 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 124.046 3.164 . . . . 0.0 114.985 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.37 94.11 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.76 0.424 . . . . 0.0 111.443 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -58.01 -45.46 86.85 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 122.943 0.497 . . . . 0.0 110.807 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -58.99 -51.46 69.99 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.64 0.776 . . . . 0.0 109.888 176.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 58.5 m -57.29 -47.12 82.31 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.15 0.886 . . . . 0.0 112.004 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -61.82 -43.45 98.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.067 0.547 . . . . 0.0 111.539 177.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 37.1 t -63.13 -47.34 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 124.499 1.12 . . . . 0.0 112.283 175.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.79 -44.16 97.17 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.597 1.089 . . . . 0.0 111.142 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.4 -52.42 65.68 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.265 0.626 . . . . 0.0 111.203 174.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.24 -52.37 63.62 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.043 0.937 . . . . 0.0 112.138 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . 0.414 ' CZ2' ' HB2' ' C' ' 21' ' ' ALA . 4.2 t-105 -63.07 -29.11 70.56 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.646 0.779 . . . . 0.0 113.02 177.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.74 -41.83 99.66 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.447 1.022 . . . . 0.0 113.245 169.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.99 -33.11 67.85 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 118.614 1.207 . . . . 0.0 111.805 172.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 97.7 t -60.99 -49.1 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.707 0.803 . . . . 0.0 111.515 174.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.54 -139.68 9.11 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 123.686 0.66 . . . . 0.0 113.869 -177.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.31 -21.35 59.59 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 177.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -67.05 -10.52 50.73 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . 0.414 ' HB2' ' CZ2' ' C' ' 14' ' ' TRP . . . -48.35 -47.0 37.4 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.297 1.039 . . . . 0.0 113.586 177.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.29 -36.05 92.73 Favored Glycine 0 N--CA 1.47 0.922 0 CA-C-O 119.81 -0.439 . . . . 0.0 113.177 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -62.49 -50.48 71.26 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.013 0.925 . . . . 0.0 110.347 172.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -64.16 -37.26 86.83 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 121.867 -0.521 . . . . 0.0 111.976 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.69 -50.43 58.81 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 123.987 0.804 . . . . 0.0 112.779 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.32 -48.08 77.44 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.613 1.206 . . . . 0.0 111.695 175.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -62.57 -37.73 87.31 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 123.843 0.857 . . . . 0.0 112.793 175.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.94 -40.12 87.48 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 119.432 1.015 . . . . 0.0 111.919 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 60.1 mt -64.0 -50.92 66.61 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.015 0.926 . . . . 0.0 110.883 175.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -50.15 73.61 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.861 0.464 . . . . 0.0 110.786 175.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -51.04 -48.61 61.46 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 117.837 -1.078 . . . . 0.0 111.735 173.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -55.75 -40.13 72.13 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.204 0.911 . . . . 0.0 112.901 177.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -66.38 -32.27 73.56 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 120.176 1.353 . . . . 0.0 114.324 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.1 -35.24 14.71 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 177.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 67.8 p -76.74 -34.72 58.08 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.455 1.102 . . . . 0.0 112.364 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.08 66.43 59.49 Favored Pre-proline 0 CA--C 1.54 0.593 0 C-N-CA 125.668 1.587 . . . . 0.0 109.513 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -45.66 -28.52 4.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 124.523 3.482 . . . . 0.0 115.669 -172.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -41.0 -36.35 0.65 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.242 1.417 . . . . 0.0 113.872 170.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 23.9 p -65.69 -26.89 67.98 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.022 -1.674 . . . . 0.0 114.739 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -28.14 69.49 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 120.389 1.45 . . . . 0.0 112.151 168.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -23.17 67.21 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.317 1.047 . . . . 0.0 112.976 176.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -68.51 -7.79 35.46 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 173.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 t80 63.29 58.43 2.05 Favored Pre-proline 0 CA--C 1.558 1.259 0 C-N-CA 124.998 1.319 . . . . 0.0 113.741 -177.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -56.73 169.58 1.73 Allowed 'Trans proline' 0 CA--C 1.546 1.092 0 C-N-CA 123.985 3.123 . . . . 0.0 115.117 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.41 6.26 5.77 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -173.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -81.35 23.12 0.63 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 -172.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.07 -40.09 0.28 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 128.333 2.653 . . . . 0.0 115.709 -173.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 31.6 mt 56.74 18.97 4.04 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.471 2.308 . . . . 0.0 114.832 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 17.0 m -70.29 20.9 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.365 2.266 . . . . 0.0 115.929 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 61.72 141.59 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 128.047 2.539 . . . . 0.0 113.819 -162.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.82 32.75 66.44 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 124.373 0.987 . . . . 0.0 114.677 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 14.0 t -53.22 121.07 6.8 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.511 1.124 . . . . 0.0 113.396 -173.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.75 -22.55 66.65 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.907 0.883 . . . . 0.0 113.076 172.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -79.3 -41.33 28.3 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.598 -0.688 . . . . 0.0 110.6 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 72.4 t -62.75 -43.91 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 121.383 -0.823 . . . . 0.0 111.944 173.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -61.74 -40.85 96.55 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 119.784 1.175 . . . . 0.0 112.273 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.49 -53.24 33.29 Favored Glycine 0 N--CA 1.47 0.944 0 C-N-CA 124.327 0.965 . . . . 0.0 111.563 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -52.37 -46.55 66.22 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.694 0.797 . . . . 0.0 111.426 172.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.99 -46.16 61.34 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.364 0.983 . . . . 0.0 114.292 173.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -37.26 78.13 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 119.184 1.492 . . . . 0.0 112.753 172.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -72.89 -43.03 62.98 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.633 0.773 . . . . 0.0 110.765 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 88.5 t -54.37 -47.28 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.42 1.009 . . . . 0.0 110.73 169.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.06 83.45 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.17 -38.26 88.37 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.014 0.825 . . . . 0.0 112.197 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.63 -38.44 87.66 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.686 -0.634 . . . . 0.0 112.606 170.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -46.3 88.59 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.585 0.754 . . . . 0.0 111.265 170.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 36.1 m -57.29 -44.02 83.69 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.781 1.173 . . . . 0.0 112.104 172.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -60.08 -44.0 95.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.442 1.097 . . . . 0.0 111.324 174.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.43 97.39 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 118.351 -0.833 . . . . 0.0 112.302 172.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.04 -46.52 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 119.969 1.258 . . . . 0.0 111.506 174.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.93 -28.23 69.38 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.366 1.466 . . . . 0.0 113.655 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -129.58 36.3 4.11 Favored 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 125.417 1.487 . . . . 0.0 111.733 -176.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 1.6 p -66.64 -11.96 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 119.985 -1.697 . . . . 0.0 114.732 -171.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -88.65 -9.96 50.27 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 120.407 -1.433 . . . . 0.0 114.088 168.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -140.44 2.28 1.83 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.154 1.782 . . . . 0.0 114.289 -165.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 76' ' ' MET . . . . . . . . . . . . 0.324 0.0 OUTLIER -63.98 -17.15 0.39 Allowed Pre-proline 0 CA--C 1.543 0.708 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 -177.681 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -38.18 -29.08 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.232 0 C-N-CA 124.96 3.773 . . . . 0.0 118.545 171.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -115.71 -15.93 11.3 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 171.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.94 -17.88 64.01 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.67 -1.269 . . . . 0.0 114.371 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 31.0 mt -100.22 10.21 41.59 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.807 0.843 . . . . 0.0 112.589 171.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 40.3 t -55.62 -41.42 73.46 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.302 1.041 . . . . 0.0 113.184 -178.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.28 -27.19 67.08 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.042 -1.036 . . . . 0.0 113.46 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.7 mt -82.64 -38.76 23.05 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.732 0.813 . . . . 0.0 111.031 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 18.7 t -55.1 -44.95 75.39 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 119.369 -0.348 . . . . 0.0 110.849 162.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -60.99 -50.44 73.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.907 0.883 . . . . 0.0 112.463 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.61 -38.24 80.77 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.312 -0.867 . . . . 0.0 111.993 175.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -67.8 -65.8 0.65 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.585 0.629 . . . . 0.0 109.96 176.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.86 -51.39 57.08 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.394 1.478 . . . . 0.0 112.934 -174.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -73.44 -3.87 30.1 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -174.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -139.52 -44.39 0.45 Allowed 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -172.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.83 -41.97 0.28 Allowed 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 -167.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 48.23 37.71 8.81 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.687 1.595 . . . . 0.0 114.271 165.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 72.1 t -56.05 139.74 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.644 1.177 . . . . 0.0 110.192 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.6 132.83 93.2 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -174.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -39.61 -31.14 0.38 Allowed 'Trans proline' 0 C--N 1.353 0.805 1 C-N-CA 126.257 4.638 . . . . 0.0 117.83 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 53.2 t -44.06 -34.58 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 CA-C-N 121.607 2.003 . . . . 0.0 112.791 171.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -56.94 -36.93 70.81 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' C' ' 133' ' ' SER . 0.0 OUTLIER -54.76 -44.49 73.68 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 171.713 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -61.27 -36.79 80.99 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.362 0.665 . . . . 0.0 110.606 -171.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.11 -55.28 19.67 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.383 1.473 . . . . 0.0 109.864 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -37.62 77.63 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.77 0.828 . . . . 0.0 111.378 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 26.6 m -73.37 -37.08 66.16 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.008 1.323 . . . . 0.0 114.222 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -56.41 -46.83 80.01 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 119.091 0.86 . . . . 0.0 110.48 162.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 74.1 m -62.91 -38.64 91.77 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.193 -0.908 . . . . 0.0 112.583 178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 22.8 mt -57.52 -55.78 30.39 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 124.365 1.066 . . . . 0.0 110.375 168.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 34.4 mt -52.13 -38.63 58.1 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.796 1.18 . . . . 0.0 112.37 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 8.0 t -58.86 -56.51 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 124.237 1.015 . . . . 0.0 112.333 169.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -36.19 81.38 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.417 1.008 . . . . 0.0 111.922 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 6.6 mt -59.5 -59.68 5.06 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 124.112 0.965 . . . . 0.0 108.573 172.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.23 -27.14 20.61 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.798 1.181 . . . . 0.0 114.173 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.96 -29.31 32.24 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -131.7 -18.22 2.78 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -166.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 2.0 tt -105.16 128.47 26.59 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 128.334 2.654 . . . . 0.0 106.672 173.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -69.73 74.26 1.29 Allowed 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.025 2.483 . . . . 0.0 110.828 169.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.12 -15.92 64.01 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.308 1.043 . . . . 0.0 112.554 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 57.09 9.65 0.69 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.963 1.705 . . . . 0.0 113.245 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 8.8 p90 43.79 24.62 0.07 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 128.68 2.792 . . . . 0.0 114.99 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.51 160.34 76.86 Favored Pre-proline 0 N--CA 1.47 0.54 0 C-N-CA 125.048 1.339 . . . . 0.0 111.13 -175.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -59.65 -44.83 28.92 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.732 1.621 . . . . 0.0 112.383 168.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.07 76.67 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 117.961 0.346 . . . . 0.0 110.982 176.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 39.7 t -75.0 -50.68 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 120.624 -1.297 . . . . 0.0 112.444 -177.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -65.81 -41.28 92.05 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 120.668 -1.27 . . . . 0.0 111.454 -176.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.62 -57.74 9.12 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.021 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 92.1 p -55.33 -43.58 75.07 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 117.158 -1.401 . . . . 0.0 112.712 -175.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.5 -49.53 66.26 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 120.658 1.572 . . . . 0.0 111.084 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -59.23 -50.35 74.36 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.43 1.014 . . . . 0.0 112.351 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -28.68 64.42 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 178.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -63.05 -49.17 75.62 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.709 1.14 . . . . 0.0 110.311 169.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.48 -33.35 75.38 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.175 0.898 . . . . 0.0 111.084 177.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.56 86.54 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.638 1.108 . . . . 0.0 113.151 167.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 7.4 t -66.61 -45.26 79.7 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.671 -1.268 . . . . 0.0 112.596 173.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 62.6 t -53.94 -46.0 64.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.041 0.936 . . . . 0.0 109.956 171.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 133' ' ' SER . . . . . 0.43 ' HB2' ' CD1' ' C' ' 98' ' ' PHE . 33.4 t -60.07 -54.75 42.33 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 124.731 1.212 . . . . 0.0 113.69 174.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 21.5 m -50.45 -42.34 54.06 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.444 1.02 . . . . 0.0 110.681 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 71.6 t -68.77 -47.24 77.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 118.434 -0.793 . . . . 0.0 112.871 175.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -29.06 65.18 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 120.644 1.566 . . . . 0.0 113.081 174.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 89.2 m -76.73 -15.12 59.86 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 127.993 2.517 . . . . 0.0 113.077 175.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 22.5 m -119.52 157.71 27.78 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.251 1.42 . . . . 0.0 112.77 -173.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.44 -30.41 0.05 Allowed 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -173.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -145.1 120.33 10.19 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 125.761 1.624 . . . . 0.0 109.496 175.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 . . . . . 0 C--O 1.256 1.416 0 C-N-CA 125.549 1.539 . . . . 0.0 113.971 -175.063 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.319 3.5 p . . . . . 0 N--CA 1.514 2.752 0 CA-C-O 116.925 -1.512 . . . . 0.0 112.872 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 22.1 73.39 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 127.695 2.398 . . . . 0.0 115.326 -176.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.07 163.34 12.57 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.694 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.64 151.95 90.96 Favored Pre-proline 0 N--CA 1.481 1.08 0 CA-C-O 118.635 -0.698 . . . . 0.0 109.514 166.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -53.59 -38.22 83.8 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.81 2.34 . . . . 0.0 114.686 173.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -71.68 -43.46 65.94 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.447 -0.783 . . . . 0.0 112.224 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -64.39 -42.92 95.86 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.7 -0.625 . . . . 0.0 111.419 175.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.17 -52.74 60.23 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.685 1.194 . . . . 0.0 110.868 170.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -54.16 -45.94 72.19 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.647 0.658 . . . . 0.0 111.347 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.92 -52.88 63.65 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' VAL . . . . . 0.52 HG21 ' CE1' ' D' ' 130' ' ' TYR . 3.8 p -65.09 -50.26 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 119.785 1.175 . . . . 0.0 112.472 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -70.49 -35.88 73.5 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.107 0.867 . . . . 0.0 112.255 -172.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.47 -37.55 87.93 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.462 1.028 . . . . 0.0 111.928 172.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.99 -39.46 87.14 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.318 -0.864 . . . . 0.0 111.18 172.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -25.85 61.61 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 164.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.73 -38.75 86.02 Favored Glycine 0 CA--C 1.535 1.34 0 O-C-N 121.333 -0.855 . . . . 0.0 113.221 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -89.67 -19.41 24.88 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.422 HG22 HG12 ' D' ' 23' ' ' VAL . 0.5 OUTLIER -53.58 133.61 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.284 1.034 . . . . 0.0 113.131 -169.004 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -87.07 85.01 7.2 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.891 0.876 . . . . 0.0 108.86 174.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 87.0 t -52.15 -35.62 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 124.33 1.052 . . . . 0.0 113.609 -170.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -44.25 86.33 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.025 1.33 . . . . 0.0 113.018 174.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -95.4 -38.34 10.53 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.691 -0.631 . . . . 0.0 111.455 -167.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . 0.422 HG12 HG22 ' D' ' 18' ' ' VAL . 0.4 OUTLIER -63.71 -34.84 70.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 O-C-N 121.535 -0.728 . . . . 0.0 110.616 165.633 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.33 -46.79 67.82 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-O 119.426 -0.652 . . . . 0.0 111.605 174.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.32 -42.79 95.73 Favored Glycine 0 N--CA 1.469 0.873 0 CA-C-N 118.072 0.936 . . . . 0.0 113.726 170.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -64.46 -38.34 90.68 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 123.601 0.76 . . . . 0.0 112.143 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.14 -51.72 35.53 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 119.662 1.119 . . . . 0.0 111.813 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . 0.443 HD22 ' CD2' ' D' ' 63' ' ' HIS . 0.9 OUTLIER -75.43 -22.36 57.44 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -178.589 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.05 -59.11 6.11 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 164.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -53.83 -33.96 57.8 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 120.724 -1.457 . . . . 0.0 112.636 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . 0.438 ' HA ' HG23 ' D' ' 109' ' ' VAL . 58.9 tp -49.73 -39.69 38.22 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.591 1.156 . . . . 0.0 113.139 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.15 -11.12 8.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 118.719 -0.658 . . . . 0.0 112.264 -168.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' VAL . . . . . 0.465 ' CG1' HG13 ' D' ' 54' ' ' VAL . 15.8 m -62.47 -24.91 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 119.536 1.062 . . . . 0.0 111.8 166.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -58.62 1.59 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 173.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' TYR . . . . . 0.438 ' H ' ' C ' ' D' ' 33' ' ' VAL . 0.2 OUTLIER 47.74 38.06 0.44 Allowed Pre-proline 0 CA--C 1.559 1.31 0 C-N-CA 126.542 1.937 . . . . 0.0 114.394 -168.779 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -77.39 178.8 7.19 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.771 2.314 . . . . 0.0 110.72 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 14.1 p90 -50.02 -31.8 13.76 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.972 -1.08 . . . . 0.0 113.006 167.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.05 -25.41 61.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.804 1.242 . . . . 0.0 113.956 174.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -27.03 59.01 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.182 0.901 . . . . 0.0 111.17 173.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 5.7 ptt-85 -48.9 -38.96 24.16 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 119.879 1.218 . . . . 0.0 113.832 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.02 0.22 45.83 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.761 1.224 . . . . 0.0 112.044 -174.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.65 -35.06 40.71 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 120.436 -1.415 . . . . 0.0 114.551 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -59.96 -16.37 29.65 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 18.4 t -85.22 -23.22 28.35 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 173.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . 0.724 ' HB2' HD13 ' D' ' 48' ' ' LEU . 12.3 m-85 -96.27 -2.5 45.87 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.032 -1.043 . . . . 0.0 113.385 -179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.23 31.26 74.32 Favored Glycine 0 N--CA 1.479 1.516 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 162.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . 0.56 ' C ' HD11 ' D' ' 48' ' ' LEU . 0.5 OUTLIER -165.65 -129.56 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 125.818 1.647 . . . . 0.0 108.687 -172.785 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 48' ' ' LEU . . . . . 0.724 HD13 ' HB2' ' D' ' 45' ' ' PHE . 0.3 OUTLIER 63.29 -8.04 0.15 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.865 2.466 . . . . 0.0 116.615 168.36 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 41.0 m -56.97 -18.4 13.41 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.237 1.815 . . . . 0.0 114.447 172.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 50' ' ' THR . . . . . 0.444 ' HG1' ' H ' ' D' ' 53' ' ' ALA . 1.4 p -141.21 162.74 46.16 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.717 1.607 . . . . 0.0 110.67 179.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -55.45 -54.8 3.73 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.797 2.332 . . . . 0.0 112.041 172.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.73 -39.15 90.54 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.995 0.918 . . . . 0.0 111.914 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . 0.444 ' H ' ' HG1' ' D' ' 50' ' ' THR . . . -56.19 -46.63 79.33 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.182 0.593 . . . . 0.0 110.88 173.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . 0.465 HG13 ' CG1' ' D' ' 33' ' ' VAL . 0.3 OUTLIER -70.99 -46.65 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.883 1.219 . . . . 0.0 113.344 -178.754 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 1.7 mtt -70.4 -23.3 62.74 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.751 0.705 . . . . 0.0 112.03 -173.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.54 -11.04 49.0 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 124.973 1.273 . . . . 0.0 115.255 174.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -61.63 120.16 53.73 Favored Pre-proline 0 N--CA 1.474 0.758 0 CA-C-N 119.924 1.862 . . . . 0.0 111.536 -175.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -63.59 -24.95 69.65 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 122.995 2.463 . . . . 0.0 113.497 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -76.15 -46.98 26.01 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.908 1.231 . . . . 0.0 112.909 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -66.36 -34.5 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 CA-C-N 119.315 0.961 . . . . 0.0 112.248 170.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -57.7 -57.44 12.72 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 119.504 1.047 . . . . 0.0 111.398 168.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.97 -50.6 70.36 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.449 1.5 . . . . 0.0 112.843 -178.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 63' ' ' HIS . . . . . 0.443 ' CD2' HD22 ' D' ' 28' ' ' LEU . 0.9 OUTLIER -64.84 -33.93 77.16 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.515 -0.741 . . . . 0.0 111.563 174.829 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.82 -40.59 64.85 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.366 1.46 . . . . 0.0 112.827 168.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.97 -41.11 99.45 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 121.896 -0.767 . . . . 0.0 111.889 172.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -63.87 -52.19 61.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.451 0.701 . . . . 0.0 111.096 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 31.2 m -59.83 -46.82 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.518 0.327 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.31 -38.49 68.7 Favored 'General case' 0 C--O 1.224 -0.247 0 O-C-N 121.118 -0.988 . . . . 0.0 111.736 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.91 -42.57 53.92 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 123.929 0.776 . . . . 0.0 111.677 172.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.94 -47.27 81.16 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 170.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . 0.494 ' CE2' HD21 ' D' ' 110' ' ' LEU . 2.3 m-30 -55.53 -37.13 67.53 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 120.333 -1.479 . . . . 0.0 111.599 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 7.0 t -67.56 -42.99 81.74 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.434 1.494 . . . . 0.0 113.181 172.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -56.31 -31.48 63.72 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.026 0.83 . . . . 0.0 111.838 168.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.48 -61.68 6.59 Favored Glycine 0 C--N 1.338 0.666 0 C-N-CA 124.31 0.957 . . . . 0.0 111.041 169.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 mt -54.25 -27.8 37.23 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.91 -27.4 54.9 Favored 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 171.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -142.96 54.99 1.38 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.377 1.871 . . . . 0.0 112.577 -171.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.25 -11.3 59.14 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -59.33 -38.46 80.39 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.777 1.231 . . . . 0.0 113.673 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -153.93 107.79 2.99 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.592 1.557 . . . . 0.0 110.379 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 67.2 mt -83.35 -21.48 33.1 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 173.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -69.55 -7.5 39.02 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 120.539 -1.351 . . . . 0.0 113.731 -174.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -115.7 -46.7 0.55 Allowed Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.888 1.709 . . . . 0.0 113.545 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.2 p -60.61 -26.3 66.89 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 118.644 1.222 . . . . 0.0 113.492 173.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -108.95 -1.96 18.64 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 117.941 -1.028 . . . . 0.0 113.345 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.64 -38.83 67.35 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 120.594 1.543 . . . . 0.0 114.272 -174.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 6.5 p -64.41 -35.43 80.88 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.397 1.079 . . . . 0.0 112.616 172.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 44.7 mt -72.99 -39.67 65.89 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.88 0.872 . . . . 0.0 111.126 173.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 1.5 m -56.1 -48.1 76.81 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 120.797 -1.189 . . . . 0.0 110.964 171.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -62.32 -44.07 97.35 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.984 1.314 . . . . 0.0 112.746 174.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 44.3 tp -58.77 -53.08 62.42 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.304 -0.872 . . . . 0.0 111.784 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -77.27 6.74 6.19 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -177.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 18.8 p -120.28 -76.37 0.58 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.65 0.659 . . . . 0.0 110.942 160.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.69 -22.73 65.58 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -167.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 -28.61 11.81 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.147 0.979 . . . . 0.0 113.211 173.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 50.6 mt -142.34 39.71 1.58 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.753 1.221 . . . . 0.0 113.306 -163.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -7.53 -60.16 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 118.719 2.859 . . . . 0.0 118.719 -167.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 2.5 p 24.34 98.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 129.281 3.033 . . . . 0.0 116.02 173.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -9.71 110.54 0.04 OUTLIER Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 125.48 1.512 . . . . 0.0 114.911 155.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -53.27 -24.41 26.76 Favored 'Trans proline' 0 CA--C 1.547 1.162 0 C-N-CA 122.215 1.943 . . . . 0.0 114.573 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -46.38 -36.13 6.14 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 119.499 -2.0 . . . . 0.0 114.409 166.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -68.15 -27.47 66.46 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 117.53 -1.224 . . . . 0.0 114.185 174.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 103' ' ' PHE . . . . . 0.437 ' CE1' ' CB ' ' D' ' 138' ' ' ALA . 0.3 OUTLIER -60.49 -40.73 92.4 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 121.142 1.792 . . . . 0.0 109.296 166.157 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 104' ' ' ARG . . . . . 0.41 ' N ' ' CD1' ' D' ' 103' ' ' PHE . 31.0 ttp85 -72.02 -42.44 66.38 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.783 -0.573 . . . . 0.0 110.468 -168.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 7.8 mp -54.78 -46.2 74.39 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.318 -0.849 . . . . 0.0 111.531 166.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.45 -44.42 80.46 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.955 1.252 . . . . 0.0 111.962 176.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.64 -60.87 8.12 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 123.085 0.374 . . . . 0.0 113.227 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -55.83 -35.2 66.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.721 0.808 . . . . 0.0 112.565 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 109' ' ' VAL . . . . . 0.438 HG23 ' HA ' ' D' ' 31' ' ' LEU . 43.1 t -70.95 -46.59 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 121.026 -1.046 . . . . 0.0 111.756 176.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . 0.494 HD21 ' CE2' ' D' ' 71' ' ' PHE . 51.4 tp -58.24 -41.49 84.27 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.754 1.161 . . . . 0.0 111.548 -178.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 1.1 m -64.89 -30.58 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 O-C-N 121.089 -1.007 . . . . 0.0 111.859 176.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 29.9 t -72.04 -39.34 69.17 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.132 -0.98 . . . . 0.0 113.222 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.5 -41.88 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 O-C-N 120.22 -1.55 . . . . 0.0 111.899 172.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 25.3 mt -60.98 -39.57 90.12 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.151 0.432 . . . . 0.0 110.685 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.35 -28.99 63.62 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 169.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 32.4 t-80 -79.3 -56.25 4.48 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.646 1.566 . . . . 0.0 112.766 171.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.94 -25.05 66.95 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -170.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -134.21 27.61 3.8 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.433 1.493 . . . . 0.0 112.468 -176.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -51.07 -39.83 42.31 Favored Glycine 0 N--CA 1.476 1.321 0 N-CA-C 116.762 1.465 . . . . 0.0 116.762 -168.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -67.58 -14.05 62.6 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 118.0 0.9 . . . . 0.0 113.187 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -114.84 1.06 13.98 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.048 2.139 . . . . 0.0 111.385 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -94.03 68.42 3.77 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.107 1.363 . . . . 0.0 112.046 -174.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 123' ' ' THR . . . . . 0.695 ' HG1' ' H ' ' D' ' 126' ' ' VAL . 30.9 p -58.11 156.71 19.13 Favored Pre-proline 0 N--CA 1.473 0.707 0 C-N-CA 124.253 1.021 . . . . 0.0 112.3 -175.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -46.35 -52.69 6.93 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 121.699 1.599 . . . . 0.0 113.353 168.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -64.01 -29.06 66.2 Favored 'Trans proline' 0 C--N 1.354 0.829 0 CA-C-O 116.737 -1.443 . . . . 0.0 114.278 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 126' ' ' VAL . . . . . 0.695 ' H ' ' HG1' ' D' ' 123' ' ' THR . 0.4 OUTLIER -61.59 -42.38 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 122.174 2.261 . . . . 0.0 110.92 174.822 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -49.81 76.09 Favored 'General case' 0 CA--C 1.527 0.067 0 O-C-N 121.799 -0.563 . . . . 0.0 110.534 177.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.95 -22.92 66.51 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.81 -49.48 45.89 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 130' ' ' TYR . . . . . 0.52 ' CE1' HG21 ' D' ' 11' ' ' VAL . 61.2 m-85 -53.75 -48.81 69.34 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 118.471 -0.776 . . . . 0.0 111.217 166.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -56.25 -37.13 69.34 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.581 1.082 . . . . 0.0 112.314 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -71.75 -43.49 65.69 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.995 1.27 . . . . 0.0 114.35 173.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.42 -45.75 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 CA-C-N 120.806 1.639 . . . . 0.0 109.975 173.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 50.5 t -78.72 -29.16 14.39 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 CA-C-O 117.433 -1.27 . . . . 0.0 112.126 -171.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.25 83.7 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 121.128 1.786 . . . . 0.0 112.169 166.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -65.77 -49.67 57.98 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 121.157 -0.965 . . . . 0.0 112.232 168.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.77 -44.23 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.346 1.058 . . . . 0.0 111.693 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . 0.437 ' CB ' ' CE1' ' D' ' 103' ' ' PHE . . . -51.46 -58.66 5.65 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 127.055 2.142 . . . . 0.0 112.003 170.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -57.56 -36.36 71.57 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.167 0.587 . . . . 0.0 112.089 178.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.32 75.1 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.864 -0.588 . . . . 0.0 112.569 173.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.95 -38.41 90.86 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 120.837 1.653 . . . . 0.0 111.828 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.79 -11.87 41.48 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.363 1.465 . . . . 0.0 113.894 170.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -57.09 -29.95 63.92 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 120.533 1.515 . . . . 0.0 113.681 -176.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -87.46 5.33 39.49 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 175.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.35 -17.53 4.2 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.356 1.862 . . . . 0.0 113.376 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.255 1.374 0 C-N-CA 129.253 3.021 . . . . 0.0 117.607 -178.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 201' ' ' HEC . . . . . 0.41 ' C1B' HG11 ' B' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.515 2.781 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -146.83 161.05 41.48 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.041 1.336 . . . . 0.0 111.719 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -71.56 155.65 92.3 Favored Pre-proline 0 N--CA 1.48 1.044 0 C-N-CA 123.968 0.907 . . . . 0.0 112.371 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.0 -40.92 8.31 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 122.89 2.393 . . . . 0.0 114.352 -168.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.14 -38.43 88.94 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.341 0.518 . . . . 0.0 111.959 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -56.81 -49.73 74.49 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.207 0.603 . . . . 0.0 110.958 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -55.5 -44.7 76.82 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.524 0.73 . . . . 0.0 110.827 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.7 m -59.58 -42.66 93.01 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.145 0.578 . . . . 0.0 111.444 177.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -64.78 -38.87 92.45 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.275 0.943 . . . . 0.0 112.094 174.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.35 -49.3 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.693 0.679 . . . . 0.0 111.239 173.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.69 -44.27 96.74 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 118.95 0.796 . . . . 0.0 111.194 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.34 -52.59 64.97 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.447 0.699 . . . . 0.0 111.491 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.98 -55.87 29.6 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.481 0.713 . . . . 0.0 112.146 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.431 ' CZ3' HG12 ' A' ' 17' ' ' VAL . 20.4 t-105 -63.53 -28.82 70.21 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.466 -0.771 . . . . 0.0 112.835 -176.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.83 -43.5 92.27 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.311 0.958 . . . . 0.0 113.526 169.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -73.55 -31.75 63.82 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 118.611 1.205 . . . . 0.0 111.851 174.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.431 HG12 ' CZ3' ' A' ' 14' ' ' TRP . 91.3 t -67.51 -21.08 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 125.271 1.428 . . . . 0.0 113.283 176.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.66 139.64 2.51 Favored Glycine 0 CA--C 1.543 1.835 0 C-N-CA 124.866 1.222 . . . . 0.0 114.52 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 61.53 -35.77 0.1 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 128.317 2.647 . . . . 0.0 116.454 -168.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -75.58 -20.37 58.66 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.701 1.137 . . . . 0.0 113.727 174.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.55 -44.98 26.46 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.064 1.746 . . . . 0.0 115.131 -171.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.54 -35.63 91.46 Favored Glycine 0 N--CA 1.471 0.99 0 O-C-N 121.486 -0.759 . . . . 0.0 113.521 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -63.89 -46.87 82.95 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.141 0.976 . . . . 0.0 110.216 174.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -60.31 -39.94 88.76 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.413 0.685 . . . . 0.0 112.317 175.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.94 -48.42 83.71 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-N 118.623 0.647 . . . . 0.0 112.802 172.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.99 -46.11 90.52 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.283 1.042 . . . . 0.0 112.125 177.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.54 -40.01 95.44 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 121.623 -0.673 . . . . 0.0 112.553 173.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.06 95.49 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.201 0.91 . . . . 0.0 112.596 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.0 mt -65.31 -49.7 68.45 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.458 1.103 . . . . 0.0 111.887 173.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.24 -43.11 99.41 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.622 -0.674 . . . . 0.0 112.522 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -60.42 -46.69 89.13 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.358 -0.839 . . . . 0.0 111.82 172.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 38.5 ttp -54.36 -48.28 71.65 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.676 1.125 . . . . 0.0 112.133 173.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.96 -52.21 51.85 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.533 1.133 . . . . 0.0 113.009 176.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -86.02 -30.25 22.82 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -173.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.6 m -69.49 -28.27 65.91 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.443 1.019 . . . . 0.0 113.411 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -139.38 76.86 30.57 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 124.415 1.086 . . . . 0.0 109.615 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -48.89 -29.25 14.77 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 124.991 3.794 . . . . 0.0 116.878 -169.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 p -52.83 -35.8 57.74 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.65 1.18 . . . . 0.0 112.91 173.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.6 p -56.93 -27.12 60.59 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 176.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -28.91 66.08 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.682 1.128 . . . . 0.0 112.749 174.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -23.0 56.95 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.522 1.129 . . . . 0.0 113.879 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.429 ' HH ' ' HE ' ' D' ' 40' ' ' ARG . 1.2 t80 -59.32 -38.11 79.46 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.089 0.404 . . . . 0.0 111.839 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 28.0 53.44 0.41 Allowed Pre-proline 0 CA--C 1.559 1.297 0 C-N-CA 128.622 2.769 . . . . 0.0 115.278 172.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.92 -57.49 0.16 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.98 2.453 . . . . 0.0 113.388 -159.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -158.32 27.58 0.25 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.981 1.313 . . . . 0.0 112.72 171.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.7 173.85 11.12 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.788 1.235 . . . . 0.0 113.224 -175.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -141.55 158.54 43.71 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.51 1.524 . . . . 0.0 111.496 -177.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.8 mt -121.41 31.42 6.32 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.123 0.969 . . . . 0.0 112.038 -156.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.5 p -64.35 17.02 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.351 2.66 . . . . 0.0 117.484 -170.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.2 t60 69.98 127.91 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 128.769 2.827 . . . . 0.0 112.965 -172.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.75 20.31 75.76 Favored Glycine 0 CA--C 1.542 1.751 0 O-C-N 121.359 -0.838 . . . . 0.0 114.792 -174.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.1 t -57.29 125.96 25.11 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.048 1.339 . . . . 0.0 113.297 -176.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.86 -34.98 70.33 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.009 0.924 . . . . 0.0 112.696 173.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -71.05 -39.42 72.25 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.793 -0.567 . . . . 0.0 111.783 177.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 84.9 t -64.34 -42.34 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-N 119.043 0.838 . . . . 0.0 111.421 172.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -59.15 -49.18 78.85 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.103 0.961 . . . . 0.0 112.162 174.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.45 -47.0 91.25 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.211 0.91 . . . . 0.0 112.804 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -58.45 -40.6 83.06 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.554 -0.969 . . . . 0.0 111.735 172.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.14 -51.23 51.84 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.479 1.038 . . . . 0.0 113.57 171.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -57.2 -37.65 72.5 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 118.277 1.038 . . . . 0.0 113.104 171.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -69.62 -46.26 66.64 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.317 0.962 . . . . 0.0 112.292 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.2 t -56.27 -46.17 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.378 0.99 . . . . 0.0 110.466 171.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.49 73.59 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -60.21 -40.57 90.58 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.937 0.79 . . . . 0.0 112.073 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.92 -36.93 85.01 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 171.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.74 -45.85 84.71 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 118.505 -0.759 . . . . 0.0 111.245 170.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.5 m -55.66 -45.44 77.71 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 120.091 1.314 . . . . 0.0 112.0 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -57.25 -50.11 73.91 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.456 1.502 . . . . 0.0 111.552 172.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.08 -36.65 77.84 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.043 -1.036 . . . . 0.0 113.773 174.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.7 t -67.25 -45.02 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 119.626 1.103 . . . . 0.0 110.847 173.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.09 -26.13 68.69 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.509 1.124 . . . . 0.0 113.471 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -130.58 34.77 4.1 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.184 1.393 . . . . 0.0 112.704 -174.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.2 p -58.98 -8.41 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 120.202 -1.561 . . . . 0.0 115.064 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -107.95 -2.27 19.9 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.634 1.574 . . . . 0.0 114.86 171.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -140.85 1.94 1.72 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.195 1.798 . . . . 0.0 113.877 -174.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . 0.308 0.0 OUTLIER -61.88 -19.54 0.54 Allowed Pre-proline 0 CA--C 1.545 0.782 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 -175.022 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -44.24 -32.7 5.28 Favored 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 123.532 2.821 . . . . 0.0 116.315 165.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -103.09 -34.6 8.82 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 172.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.96 -16.48 61.64 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.8 mt -110.26 17.17 21.19 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.451 1.5 . . . . 0.0 112.646 175.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.1 p -53.76 -43.15 68.95 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.633 1.106 . . . . 0.0 113.851 -175.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.2 -23.96 62.7 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.926 0.89 . . . . 0.0 113.331 173.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mt -95.23 -32.66 12.92 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.082 -1.011 . . . . 0.0 111.546 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.0 t -52.31 -42.91 64.2 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 157.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.63 -39.1 92.78 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.576 -1.328 . . . . 0.0 114.039 171.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.61 -39.18 67.65 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 120.362 1.437 . . . . 0.0 112.315 168.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -87.02 -18.09 31.44 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.32 -35.5 8.39 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -175.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -143.87 -54.91 0.37 Allowed 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -54.18 -40.91 67.98 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 120.859 1.663 . . . . 0.0 113.578 -167.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 mt -136.38 -4.93 2.07 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 171.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 48.63 36.93 8.41 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 126.555 1.942 . . . . 0.0 115.181 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.0 t -47.63 124.47 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 126.151 1.78 . . . . 0.0 113.44 -176.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.58 118.32 49.79 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 124.771 1.228 . . . . 0.0 112.555 176.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -46.91 -35.74 18.79 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 125.024 3.816 . . . . 0.0 116.557 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.0 p -54.22 -34.94 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 120.896 -1.127 . . . . 0.0 112.839 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -64.08 -33.73 76.43 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.41 -0.806 . . . . 0.0 111.424 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 133' ' ' SER . 0.0 OUTLIER -57.61 -45.01 85.88 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 120.839 -1.163 . . . . 0.0 110.41 170.853 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -61.03 -39.93 91.67 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.321 0.648 . . . . 0.0 110.563 -172.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.69 -60.19 3.86 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.45 0.7 . . . . 0.0 110.681 171.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -34.86 70.19 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.964 0.802 . . . . 0.0 112.109 -175.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.3 t -56.55 -53.68 54.73 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.052 1.741 . . . . 0.0 112.629 173.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -60.11 -41.57 92.84 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.416 -0.803 . . . . 0.0 111.482 172.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 75.8 m -66.46 -24.47 66.44 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.3 mt -75.44 -48.19 23.87 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.312 1.045 . . . . 0.0 111.513 169.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 31.4 mt -50.84 -43.87 59.22 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.875 0.761 . . . . 0.0 111.783 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.6 m -66.82 -37.64 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 174.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 22.1 p -74.66 -32.16 62.16 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.745 1.611 . . . . 0.0 112.185 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.71 -51.21 70.73 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 121.719 0.771 . . . . 0.0 108.983 166.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.503 ' HB1' ' HD1' ' B' ' 116' ' ' HIS . . . -64.39 -24.35 67.61 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -178.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.67 -10.91 21.51 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 174.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -131.34 -36.11 1.3 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.7 mp -77.64 156.08 80.75 Favored Pre-proline 0 CA--C 1.56 1.343 0 CA-C-N 119.247 0.93 . . . . 0.0 111.53 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -54.41 -35.91 86.05 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 124.043 3.162 . . . . 0.0 116.351 -170.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -146.05 -48.12 0.21 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.553 1.141 . . . . 0.0 111.354 173.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 67.3 -9.1 0.42 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.37 1.468 . . . . 0.0 114.747 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -116.24 6.11 13.78 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -166.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.6 p -56.77 158.33 8.89 Favored Pre-proline 0 N--CA 1.47 0.566 0 C-N-CA 123.405 0.682 . . . . 0.0 111.088 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -50.66 -41.88 52.15 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.584 2.189 . . . . 0.0 113.957 172.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.66 -52.94 54.68 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.127 0.421 . . . . 0.0 111.612 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.5 t -72.58 -48.03 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 121.448 -0.783 . . . . 0.0 112.326 -172.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.05 -41.54 61.61 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.934 1.243 . . . . 0.0 113.065 -175.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.3 88.61 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 120.178 1.354 . . . . 0.0 110.694 174.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.1 t -57.23 -61.24 2.61 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 118.951 -0.547 . . . . 0.0 111.992 174.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.47 -41.42 98.59 Favored 'General case' 0 C--O 1.226 -0.165 0 CA-C-N 119.574 1.079 . . . . 0.0 113.558 -174.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.13 -48.24 80.84 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.82 1.191 . . . . 0.0 111.264 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.316 0.0 OUTLIER -82.99 -17.89 41.82 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -177.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -71.98 -46.45 57.29 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.58 1.152 . . . . 0.0 112.071 164.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.64 -33.43 72.78 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.495 -1.378 . . . . 0.0 110.719 170.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.7 97.01 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 168.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.2 p -69.33 -42.38 75.43 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 121.658 2.026 . . . . 0.0 112.792 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 75.6 t -53.08 -46.84 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.04 1.336 . . . . 0.0 110.551 167.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.44 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 42.9 t -59.38 -51.07 71.51 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 118.295 -0.86 . . . . 0.0 113.093 171.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 47.8 m -50.91 -36.09 36.54 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 120.321 1.418 . . . . 0.0 112.636 176.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 53.8 t -72.66 -49.31 41.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 121.54 -0.725 . . . . 0.0 112.295 170.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.38 -39.14 69.76 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.002 -1.061 . . . . 0.0 113.543 175.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 72.6 p -86.78 4.96 38.81 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.806 1.642 . . . . 0.0 113.437 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.8 p -65.36 -179.28 0.59 Allowed 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 121.89 0.852 . . . . 0.0 112.681 170.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -139.75 87.77 2.19 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.382 1.473 . . . . 0.0 109.494 178.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 33.72 93.15 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 127.49 2.316 . . . . 0.0 115.509 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 . . . . . 0 C--O 1.254 1.314 0 C-N-CA 127.196 2.199 . . . . 0.0 114.19 -174.165 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . 0.479 HG12 ' HA ' ' B' ' 133' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.515 2.795 0 CA-C-O 119.357 -0.354 . . . . 0.0 110.803 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -132.16 74.3 1.58 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.868 1.267 . . . . 0.0 110.622 -170.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.74 157.62 9.21 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 121.46 -0.775 . . . . 0.0 110.974 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.544 ' HG1' ' H ' ' B' ' 7' ' ' GLU . 5.3 p -63.68 151.96 87.37 Favored Pre-proline 0 N--CA 1.479 0.982 0 CA-C-O 118.493 -0.765 . . . . 0.0 109.301 167.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -54.54 -37.11 90.37 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.367 2.045 . . . . 0.0 114.09 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -70.85 -44.46 66.38 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.262 0.625 . . . . 0.0 112.176 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.544 ' H ' ' HG1' ' B' ' 4' ' ' THR . 35.3 mt-10 -66.37 -38.43 87.56 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.326 -0.859 . . . . 0.0 111.6 174.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -57.1 -46.35 82.66 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.61 1.096 . . . . 0.0 111.108 172.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.4 t -58.23 -45.75 87.14 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.787 0.721 . . . . 0.0 111.036 173.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.88 -49.68 74.79 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 p -67.88 -50.75 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 119.4 1.0 . . . . 0.0 112.071 173.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.4 m -72.06 -35.77 69.4 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.955 0.798 . . . . 0.0 111.792 -168.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.23 -36.17 74.35 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.777 -1.202 . . . . 0.0 112.313 175.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -69.2 -38.64 78.73 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.21 -0.931 . . . . 0.0 110.649 172.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -55.01 -42.37 72.47 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.67 -0.644 . . . . 0.0 111.773 166.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.37 -26.65 44.95 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 126.558 2.028 . . . . 0.0 116.551 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.73 -3.65 14.93 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 119.5 1.65 . . . . 0.0 114.57 171.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.411 HG23 HG12 ' B' ' 23' ' ' VAL . 0.5 OUTLIER -57.49 136.4 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 124.147 0.979 . . . . 0.0 111.509 177.256 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -90.86 87.61 6.72 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 74.9 t -50.84 -38.97 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -165.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -71.7 -37.66 70.64 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 177.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -80.71 -55.41 4.85 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.126 0.57 . . . . 0.0 110.54 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.411 HG12 HG23 ' B' ' 18' ' ' VAL . 0.8 OUTLIER -60.0 -31.94 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 O-C-N 121.282 -0.886 . . . . 0.0 112.219 175.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.97 -44.02 31.84 Favored Glycine 0 C--N 1.343 0.958 0 CA-C-N 119.47 1.032 . . . . 0.0 111.991 176.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.83 -48.34 79.08 Favored Glycine 0 CA--C 1.525 0.667 0 CA-C-N 117.931 0.866 . . . . 0.0 112.594 169.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.68 -28.55 67.79 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 117.86 -1.067 . . . . 0.0 112.868 174.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.18 -64.21 0.9 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 121.555 1.98 . . . . 0.0 111.131 173.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.1 tp -67.55 -35.1 78.41 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.62 -0.675 . . . . 0.0 111.232 -175.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -52.65 -59.0 9.75 Favored Glycine 0 C--N 1.336 0.539 0 CA-C-O 118.191 -1.338 . . . . 0.0 111.416 163.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.459 ' HA ' HG22 ' B' ' 33' ' ' VAL . 0.5 OUTLIER -49.83 -43.6 48.88 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.751 1.775 . . . . 0.0 112.537 -179.702 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 16.2 tp -51.98 -51.8 54.76 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.973 1.715 . . . . 0.0 110.533 175.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 mp -83.9 -9.04 59.02 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 117.54 -1.219 . . . . 0.0 113.011 -176.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' B' ' 30' ' ' ARG . 2.0 m -75.32 -26.02 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 CA-C-N 121.215 1.825 . . . . 0.0 114.205 167.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.16 8.07 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 CA-C-N 121.042 1.746 . . . . 0.0 113.657 -176.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 47.96 39.5 0.59 Allowed Pre-proline 0 CA--C 1.559 1.312 0 C-N-CA 126.393 1.877 . . . . 0.0 115.455 -167.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -76.86 160.43 34.01 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.78 1.653 . . . . 0.0 112.228 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 9.6 p90 -54.05 -26.54 27.18 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.552 1.541 . . . . 0.0 113.938 169.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 16.3 p -59.91 -15.98 25.99 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 172.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -52.73 -20.78 3.41 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 166.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -48.08 -29.84 3.93 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 173.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.79 4.83 42.86 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -177.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -54.93 -17.61 3.91 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 -175.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -53.75 -31.62 49.18 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.479 1.112 . . . . 0.0 112.62 172.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.2 m -83.97 -2.16 56.03 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.261 1.424 . . . . 0.0 114.454 173.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -117.85 -27.14 6.28 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.084 1.354 . . . . 0.0 112.846 -169.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.44 -135.52 13.71 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-N 120.283 1.401 . . . . 0.0 113.448 175.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -46.86 95.33 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.14 2.176 . . . . 0.0 114.223 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 tt -147.29 -16.6 0.39 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -173.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -58.53 -12.93 4.52 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 -173.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 35.7 p -136.22 157.01 76.43 Favored Pre-proline 0 N--CA 1.474 0.727 0 C-N-CA 126.438 1.895 . . . . 0.0 111.099 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.76 -41.06 49.23 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.27 2.647 . . . . 0.0 114.828 -172.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.04 -37.33 81.21 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.785 -0.572 . . . . 0.0 112.479 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.18 -53.19 61.11 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.895 0.878 . . . . 0.0 112.476 -175.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -61.87 -27.81 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -175.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 32.6 ttm -84.25 -26.28 28.77 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.32 -31.82 10.24 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.03 0.824 . . . . 0.0 114.201 175.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -39.5 113.91 0.89 Allowed Pre-proline 0 CA--C 1.557 1.247 0 C-N-CA 128.414 2.686 . . . . 0.0 115.149 -176.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.3 -42.0 68.49 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 124.199 3.266 . . . . 0.0 114.778 175.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -65.66 -39.83 91.8 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.965 1.306 . . . . 0.0 111.885 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.34 -42.05 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.702 0.801 . . . . 0.0 111.298 171.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -63.83 -43.42 96.25 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.697 1.135 . . . . 0.0 112.352 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.92 -52.91 61.23 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.451 1.1 . . . . 0.0 112.862 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -63.68 -33.36 75.46 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.832 -1.168 . . . . 0.0 111.788 172.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.49 -49.92 66.15 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.749 1.166 . . . . 0.0 113.553 169.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -55.92 -41.56 74.77 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 118.076 0.938 . . . . 0.0 111.308 169.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -70.78 -48.0 56.59 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 117.968 -1.015 . . . . 0.0 113.575 -177.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 m -58.55 -40.05 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 CA-C-N 120.631 1.559 . . . . 0.0 110.774 172.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 2.8 tt -69.77 -33.2 72.07 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.671 -0.643 . . . . 0.0 112.44 176.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.4 -37.62 82.7 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 125.482 1.515 . . . . 0.0 113.237 167.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.79 -46.67 71.31 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.606 1.203 . . . . 0.0 111.861 170.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.406 ' CD2' HD22 ' B' ' 110' ' ' LEU . 21.5 m-85 -57.41 -38.61 74.61 Favored 'General case' 0 CA--C 1.55 0.965 0 O-C-N 120.876 -1.14 . . . . 0.0 112.528 174.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.5 p -78.44 -36.36 45.63 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -57.48 -36.19 71.17 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.38 0.991 . . . . 0.0 110.928 165.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.94 -60.14 9.23 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-O 119.523 -0.598 . . . . 0.0 111.824 166.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.9 mt -54.1 -27.0 30.2 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 176.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.01 -22.9 25.22 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.496 1.518 . . . . 0.0 114.7 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -140.12 38.04 1.93 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.299 1.44 . . . . 0.0 112.558 -169.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 65.1 mt -54.06 -23.2 12.86 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -174.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -64.1 -25.86 68.29 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.88 1.672 . . . . 0.0 114.828 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -157.26 86.75 0.96 Allowed 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.403 1.001 . . . . 0.0 113.138 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 43.0 mt -73.23 -29.34 62.71 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -69.73 -18.4 63.52 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.796 -1.19 . . . . 0.0 113.638 -176.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -93.85 -43.43 3.87 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.516 1.055 . . . . 0.0 113.299 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 23.2 p -65.27 -31.54 72.74 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 118.606 1.203 . . . . 0.0 112.987 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -105.83 12.13 31.13 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -176.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.1 -41.42 64.93 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 121.116 1.78 . . . . 0.0 113.547 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 22.0 p -66.31 -41.47 89.67 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.082 1.353 . . . . 0.0 112.865 173.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 44.2 mt -68.81 -35.69 77.31 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.386 0.675 . . . . 0.0 111.714 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 5.5 t -63.6 -45.83 88.56 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.381 1.072 . . . . 0.0 110.21 172.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -56.96 -48.68 77.78 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.1 -1.0 . . . . 0.0 112.23 171.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 51.1 tp -52.85 -56.15 17.89 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.983 0.811 . . . . 0.0 110.691 175.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -76.32 18.77 0.28 Allowed 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 83.9 m -135.58 -76.13 0.44 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.813 1.245 . . . . 0.0 110.866 171.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.55 -29.75 70.21 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.4 1.48 . . . . 0.0 113.908 -174.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -102.11 -39.77 7.13 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.287 1.035 . . . . 0.0 112.013 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.461 ' C ' ' H ' ' B' ' 98' ' ' VAL . 0.0 OUTLIER -142.49 79.25 1.65 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.667 1.587 . . . . 0.0 110.321 -176.065 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.29 30.11 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 125.706 1.602 . . . . 0.0 113.701 172.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' VAL . . . . . 0.461 ' H ' ' C ' ' B' ' 96' ' ' LEU . 77.0 t -41.23 137.34 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 129.261 3.024 . . . . 0.0 111.85 175.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -61.83 141.47 95.27 Favored Pre-proline 0 CA--C 1.553 1.085 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -173.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.71 -28.22 68.64 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.083 2.522 . . . . 0.0 114.696 -169.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -56.92 -37.1 70.98 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.997 -1.064 . . . . 0.0 112.095 173.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -59.01 -37.46 76.93 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 121.514 -0.741 . . . . 0.0 111.982 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -69.24 -45.97 68.46 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.776 0.83 . . . . 0.0 111.151 177.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -59.05 -42.48 90.38 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.709 0.404 . . . . 0.0 111.303 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.8 -43.77 98.19 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.809 0.844 . . . . 0.0 112.844 173.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.6 tt -61.57 -30.88 70.95 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.531 1.514 . . . . 0.0 111.719 170.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . 0.442 ' CA ' HG12 ' B' ' 134' ' ' VAL . . . -64.87 -55.47 22.03 Favored Glycine 0 CA--C 1.526 0.739 0 O-C-N 120.274 -1.516 . . . . 0.0 114.517 170.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -59.23 -20.99 58.78 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 117.961 0.881 . . . . 0.0 112.342 171.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 10.6 t -65.7 -56.27 15.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 O-C-N 119.849 -1.782 . . . . 0.0 112.107 166.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.406 HD22 ' CD2' ' B' ' 71' ' ' PHE . 58.8 tp -53.02 -51.15 62.62 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 118.934 0.788 . . . . 0.0 111.833 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 m -56.55 -37.17 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.354 -175.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 35.1 m -77.41 -37.8 51.09 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 117.333 -1.318 . . . . 0.0 112.954 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . 0.553 ' HA ' ' CD2' ' B' ' 116' ' ' HIS . 6.0 p -60.66 -32.5 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 CA-C-N 121.85 2.114 . . . . 0.0 112.773 174.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.448 HD13 ' CE2' ' B' ' 130' ' ' TYR . 28.1 mt -62.42 -40.5 96.77 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.703 -0.623 . . . . 0.0 110.978 171.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.34 -35.96 82.56 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 169.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . 0.553 ' CD2' ' HA ' ' B' ' 113' ' ' VAL . 6.8 m-70 -66.43 -32.8 74.4 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.012 0.925 . . . . 0.0 112.027 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -91.63 -37.64 12.94 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.627 0.771 . . . . 0.0 112.723 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -121.54 35.66 4.82 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.904 1.282 . . . . 0.0 113.237 -169.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -43.32 -47.23 6.84 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.956 1.741 . . . . 0.0 116.915 -173.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -23.21 67.27 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 118.426 1.113 . . . . 0.0 114.003 178.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -106.04 -3.46 21.58 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.192 1.797 . . . . 0.0 111.966 -177.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -78.75 64.5 3.76 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.014 1.326 . . . . 0.0 111.835 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 61.4 p -59.7 157.28 28.87 Favored Pre-proline 0 N--CA 1.478 0.931 0 C-N-CA 124.981 1.313 . . . . 0.0 112.185 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -43.41 -52.94 4.64 Favored 'Trans proline' 0 CA--C 1.548 1.21 0 C-N-CA 123.326 2.684 . . . . 0.0 115.286 173.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.88 -21.33 33.08 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.737 2.291 . . . . 0.0 115.851 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -57.14 -39.47 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 120.849 1.659 . . . . 0.0 111.401 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -68.53 -45.23 72.76 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 122.715 0.406 . . . . 0.0 111.38 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.87 -39.47 77.88 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.11 0.964 . . . . 0.0 112.738 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.98 -54.45 26.07 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.427 1.091 . . . . 0.0 111.564 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.448 ' CE2' HD13 ' B' ' 114' ' ' LEU . 8.1 m-85 -58.19 -44.62 88.14 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.411 -0.805 . . . . 0.0 111.904 173.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -54.64 -44.57 73.31 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.043 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -63.61 -49.64 72.53 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 120.022 1.283 . . . . 0.0 113.752 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.479 ' HA ' HG12 ' B' ' 1' ' ' VAL . 8.7 p -62.53 -38.75 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 CA-C-N 119.689 1.132 . . . . 0.0 111.926 177.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . 0.442 HG12 ' CA ' ' B' ' 107' ' ' GLY . 60.8 t -67.06 -39.92 84.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 123.572 0.749 . . . . 0.0 112.334 176.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.37 98.08 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.193 0.906 . . . . 0.0 111.87 175.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.03 -45.21 95.57 Favored Glycine 0 CA--C 1.533 1.158 0 O-C-N 121.791 -0.568 . . . . 0.0 112.535 170.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 1.9 t -55.07 -52.4 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.875 0.87 . . . . 0.0 111.71 170.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.26 92.03 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.523 1.056 . . . . 0.0 112.058 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -57.44 -50.08 74.18 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.683 0.793 . . . . 0.0 111.501 173.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.93 99.14 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 177.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.22 -25.61 65.3 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.404 -1.435 . . . . 0.0 112.849 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.9 -3.63 58.79 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 171.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -49.16 -37.5 22.54 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -168.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -76.1 -3.71 37.53 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -142.03 2.87 1.56 Allowed 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 176.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.551 0 C-N-CA 126.268 1.827 . . . . 0.0 115.79 -175.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.513 2.717 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -146.78 161.28 40.99 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.978 1.311 . . . . 0.0 111.615 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -71.84 155.68 91.86 Favored Pre-proline 0 N--CA 1.481 1.095 0 C-N-CA 123.964 0.906 . . . . 0.0 112.229 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -67.93 -41.0 8.33 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.886 2.39 . . . . 0.0 114.26 -168.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.31 88.77 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.495 0.589 . . . . 0.0 112.015 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -56.7 -49.75 74.19 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.279 0.632 . . . . 0.0 111.032 176.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -55.61 -44.7 77.28 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.475 0.71 . . . . 0.0 110.848 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 85.3 m -59.46 -42.79 92.82 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.193 0.597 . . . . 0.0 111.487 177.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -64.79 -38.86 92.41 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.14 0.882 . . . . 0.0 112.07 174.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 95.6 t -62.29 -49.43 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 118.698 0.681 . . . . 0.0 111.194 173.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.61 -44.21 96.57 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.988 0.813 . . . . 0.0 111.372 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.34 -52.43 65.65 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.355 0.662 . . . . 0.0 111.503 175.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.19 -55.98 28.06 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.522 0.729 . . . . 0.0 112.038 177.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . 0.435 ' CZ3' HG12 ' C' ' 17' ' ' VAL . 20.3 t-105 -63.3 -28.89 70.33 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.47 -0.769 . . . . 0.0 112.899 -176.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.75 -43.63 91.85 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.421 1.01 . . . . 0.0 113.434 169.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -73.69 -31.58 63.51 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 118.576 1.188 . . . . 0.0 111.773 174.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.435 HG12 ' CZ3' ' C' ' 14' ' ' TRP . 90.6 t -67.69 -20.95 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.17 1.388 . . . . 0.0 113.327 176.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.6 139.62 2.47 Favored Glycine 0 CA--C 1.542 1.764 0 C-N-CA 124.934 1.254 . . . . 0.0 114.537 175.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 61.57 -35.79 0.11 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 128.308 2.643 . . . . 0.0 116.38 -168.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -75.69 -20.3 58.51 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.632 1.106 . . . . 0.0 113.604 174.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.45 -45.05 25.45 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.156 1.782 . . . . 0.0 115.095 -171.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.66 -35.56 91.25 Favored Glycine 0 N--CA 1.47 0.95 0 O-C-N 121.438 -0.789 . . . . 0.0 113.561 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -63.85 -46.88 83.0 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.156 0.982 . . . . 0.0 110.308 174.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -60.37 -39.97 89.13 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.481 0.712 . . . . 0.0 112.247 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.82 -48.53 83.34 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 118.694 0.679 . . . . 0.0 112.781 172.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.86 -46.3 89.74 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.187 0.994 . . . . 0.0 112.146 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -62.29 -40.01 94.84 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.581 -0.7 . . . . 0.0 112.64 173.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . 0.4 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -62.77 -39.89 95.61 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.257 0.935 . . . . 0.0 112.408 178.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 56.9 mt -65.49 -49.55 68.61 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.491 1.116 . . . . 0.0 111.865 173.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.35 -43.13 99.39 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.672 -0.643 . . . . 0.0 112.461 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -60.49 -46.66 89.32 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.294 -0.879 . . . . 0.0 111.899 172.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 38.3 ttp -54.24 -48.43 71.14 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.687 1.13 . . . . 0.0 112.03 173.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.93 -52.22 51.58 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.489 1.115 . . . . 0.0 112.99 176.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -85.88 -30.31 23.0 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -173.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 70.0 m -69.45 -28.24 65.94 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.428 1.013 . . . . 0.0 113.498 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -139.26 76.77 31.39 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 124.553 1.141 . . . . 0.0 109.684 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -48.91 -29.2 14.72 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 124.976 3.784 . . . . 0.0 116.891 -169.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 3.9 p -52.79 -35.96 57.52 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.67 1.188 . . . . 0.0 112.872 172.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 62.6 p -56.85 -27.06 59.76 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 176.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -28.78 66.28 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.624 1.102 . . . . 0.0 112.736 174.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.44 -23.12 56.63 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.49 1.116 . . . . 0.0 113.896 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.12 -38.27 79.21 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.011 0.368 . . . . 0.0 111.921 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 28.02 53.48 0.42 Allowed Pre-proline 0 CA--C 1.558 1.282 0 C-N-CA 128.669 2.787 . . . . 0.0 115.257 172.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.01 -57.37 0.16 Allowed 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 122.964 2.443 . . . . 0.0 113.389 -159.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -158.42 27.72 0.24 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.999 1.32 . . . . 0.0 112.693 171.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.78 173.78 11.19 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.938 1.295 . . . . 0.0 113.302 -175.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -141.56 158.41 43.88 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.413 1.485 . . . . 0.0 111.47 -177.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 19.3 mt -121.23 31.35 6.39 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.339 1.055 . . . . 0.0 112.081 -156.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 90.7 p -64.44 17.14 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 128.37 2.668 . . . . 0.0 117.438 -170.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 8.2 t60 69.86 127.89 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 128.731 2.812 . . . . 0.0 113.083 -172.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.78 20.4 75.88 Favored Glycine 0 CA--C 1.54 1.65 0 O-C-N 121.437 -0.79 . . . . 0.0 114.739 -174.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 13.9 t -57.4 125.86 24.71 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.296 1.438 . . . . 0.0 113.263 -176.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.81 -34.98 70.23 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.071 0.949 . . . . 0.0 112.666 173.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -71.12 -39.37 72.07 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.641 -0.662 . . . . 0.0 111.846 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.35 -42.33 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 119.043 0.838 . . . . 0.0 111.409 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -59.1 -49.31 78.35 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.149 0.98 . . . . 0.0 112.028 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.37 -47.01 91.35 Favored Glycine 0 N--CA 1.47 0.93 0 C-N-CA 124.211 0.91 . . . . 0.0 112.885 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -58.47 -40.54 82.99 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.492 -1.005 . . . . 0.0 111.755 172.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.24 -51.24 52.12 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.432 1.015 . . . . 0.0 113.609 171.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -57.03 -37.62 72.02 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 118.456 1.128 . . . . 0.0 113.255 171.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -69.68 -46.24 66.53 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.23 0.923 . . . . 0.0 112.312 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 91.1 t -56.21 -46.22 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 119.383 0.992 . . . . 0.0 110.495 171.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.97 -50.31 74.25 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -60.3 -40.54 90.85 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.795 0.725 . . . . 0.0 112.147 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.86 84.57 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 171.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.95 -45.67 84.78 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.498 -0.763 . . . . 0.0 111.268 170.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 28.6 m -55.72 -45.44 77.93 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 120.127 1.33 . . . . 0.0 112.045 173.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -57.37 -50.05 74.2 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.381 1.472 . . . . 0.0 111.5 172.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.76 77.84 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 174.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.24 -44.97 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 119.581 1.082 . . . . 0.0 110.825 173.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.13 -26.07 68.65 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.508 1.123 . . . . 0.0 113.469 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -130.6 34.67 4.11 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.315 1.446 . . . . 0.0 112.71 -174.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 12.1 p -58.95 -8.46 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -107.83 -2.33 20.03 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.607 1.563 . . . . 0.0 114.871 171.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -140.79 1.78 1.72 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.113 1.765 . . . . 0.0 113.926 -174.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 76' ' ' MET . . . . . . . . . . . . 0.31 0.0 OUTLIER -61.74 -19.62 0.55 Allowed Pre-proline 0 CA--C 1.545 0.763 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 -174.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -44.18 -32.83 5.28 Favored 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 123.502 2.802 . . . . 0.0 116.278 165.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -102.92 -34.55 8.91 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 172.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.86 -16.62 61.79 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 59.6 mt -110.16 17.05 21.38 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.488 1.515 . . . . 0.0 112.642 175.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 81.4 p -53.69 -43.16 68.72 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.643 1.111 . . . . 0.0 113.865 -175.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.11 -23.94 62.55 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.895 0.878 . . . . 0.0 113.349 173.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mt -95.34 -32.73 12.82 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.074 -1.016 . . . . 0.0 111.411 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 23.0 t -52.24 -42.78 63.91 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 157.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.73 -39.24 93.46 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.612 -1.305 . . . . 0.0 114.009 171.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.42 -39.3 67.21 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 120.341 1.428 . . . . 0.0 112.24 168.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -86.89 -18.09 31.71 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.52 -35.55 8.28 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -143.82 -54.95 0.37 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -54.13 -40.86 67.76 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 120.767 1.621 . . . . 0.0 113.631 -168.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 mt -136.48 -5.01 2.04 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 171.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 48.61 37.08 8.61 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 126.594 1.958 . . . . 0.0 115.161 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 45.0 t -47.68 124.41 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 126.082 1.753 . . . . 0.0 113.447 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.38 118.29 48.92 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 124.748 1.219 . . . . 0.0 112.605 176.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -46.78 -35.82 18.37 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 125.105 3.87 . . . . 0.0 116.628 -176.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 10.8 p -54.32 -34.83 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 O-C-N 120.981 -1.075 . . . . 0.0 112.901 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -64.07 -33.67 76.28 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.423 -0.798 . . . . 0.0 111.44 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' C' ' 133' ' ' SER . 0.0 OUTLIER -57.72 -44.98 86.36 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 120.969 -1.082 . . . . 0.0 110.482 170.82 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -60.95 -40.0 91.63 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.222 0.609 . . . . 0.0 110.492 -172.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.73 -60.13 3.93 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.365 0.666 . . . . 0.0 110.582 172.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -35.06 70.22 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.103 0.865 . . . . 0.0 112.182 -176.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 42.0 t -56.54 -53.72 54.2 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.062 1.745 . . . . 0.0 112.523 174.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -60.18 -41.52 93.07 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.432 -0.792 . . . . 0.0 111.516 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 104' ' ' CYS . . . . . 0.4 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 77.6 m -66.49 -24.38 66.4 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 27.1 mt -75.38 -48.46 22.83 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.685 1.13 . . . . 0.0 111.406 169.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 32.8 mt -50.51 -43.87 55.91 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.939 0.79 . . . . 0.0 111.777 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.12 -37.54 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 175.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 22.0 p -74.83 -32.08 61.85 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 120.806 1.639 . . . . 0.0 112.07 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.52 -51.5 69.59 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.233 0.924 . . . . 0.0 109.238 165.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . 0.48 ' HB1' ' HD1' ' D' ' 116' ' ' HIS . . . -64.15 -24.3 67.63 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -178.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.73 -10.77 21.29 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 174.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -131.4 -36.16 1.29 Allowed 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.7 mp -77.5 156.1 81.1 Favored Pre-proline 0 CA--C 1.559 1.308 0 CA-C-N 119.353 0.979 . . . . 0.0 111.559 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -54.29 -36.22 86.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 124.065 3.177 . . . . 0.0 116.254 -170.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.81 -48.11 0.21 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.468 1.107 . . . . 0.0 111.361 173.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 67.19 -9.25 0.4 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -116.02 6.17 14.04 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -166.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 3.7 p -56.78 158.38 8.83 Favored Pre-proline 0 N--CA 1.47 0.564 0 C-N-CA 123.278 0.631 . . . . 0.0 111.21 -178.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -50.63 -41.83 52.12 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.668 2.245 . . . . 0.0 113.999 172.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.49 -53.28 50.69 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.213 0.46 . . . . 0.0 111.696 174.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 44.5 t -72.5 -48.02 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 O-C-N 121.469 -0.769 . . . . 0.0 112.369 -172.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -41.72 61.77 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.958 1.254 . . . . 0.0 112.984 -175.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.8 -46.54 87.35 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.382 1.446 . . . . 0.0 110.665 174.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 45.8 t -57.19 -61.1 2.71 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 118.986 -0.53 . . . . 0.0 112.119 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.38 -41.69 98.8 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 119.513 1.051 . . . . 0.0 113.551 -175.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.9 -48.19 80.58 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 119.772 1.169 . . . . 0.0 111.357 177.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . 0.32 0.0 OUTLIER -83.08 -18.01 41.13 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -71.76 -46.61 57.87 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.466 1.106 . . . . 0.0 112.082 164.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.42 -33.51 72.61 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 120.416 -1.427 . . . . 0.0 110.842 170.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.56 97.07 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 168.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 90.8 p -69.38 -42.56 75.02 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 121.708 2.049 . . . . 0.0 112.743 176.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 75.3 t -53.03 -46.74 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.943 1.297 . . . . 0.0 110.502 167.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 133' ' ' SER . . . . . 0.435 ' HB2' ' CE1' ' C' ' 98' ' ' PHE . 43.1 t -59.52 -51.01 71.69 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 118.146 -0.931 . . . . 0.0 113.106 171.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 47.5 m -50.82 -36.15 35.82 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.457 1.48 . . . . 0.0 112.616 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 54.7 t -72.66 -49.32 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 O-C-N 121.594 -0.691 . . . . 0.0 112.26 170.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.35 -39.11 69.65 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.479 1.036 . . . . 0.0 113.46 175.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 72.8 p -86.8 4.87 39.24 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 125.931 1.692 . . . . 0.0 113.366 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 5.8 p -65.25 -179.36 0.58 Allowed 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 121.961 0.886 . . . . 0.0 112.7 170.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -139.67 87.74 2.2 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.348 1.459 . . . . 0.0 109.551 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 33.79 93.06 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 127.525 2.33 . . . . 0.0 115.49 175.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 . . . . . 0 C--O 1.253 1.275 0 C-N-CA 127.116 2.167 . . . . 0.0 114.223 -174.239 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . 0.477 HG12 ' HA ' ' D' ' 133' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.515 2.792 0 CA-C-O 119.34 -0.362 . . . . 0.0 110.714 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -132.14 74.27 1.57 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.884 1.274 . . . . 0.0 110.663 -171.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.76 157.59 9.27 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 121.301 -0.875 . . . . 0.0 111.016 176.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.531 ' HG1' ' H ' ' D' ' 7' ' ' GLU . 5.4 p -63.53 151.9 86.96 Favored Pre-proline 0 N--CA 1.479 1.008 0 CA-C-O 118.553 -0.737 . . . . 0.0 109.306 167.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.63 -37.11 91.08 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.369 2.046 . . . . 0.0 114.017 175.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -70.78 -44.61 66.32 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.303 0.641 . . . . 0.0 112.161 177.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' GLU . . . . . 0.531 ' H ' ' HG1' ' D' ' 4' ' ' THR . 35.1 mt-10 -66.28 -38.44 87.79 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.315 -0.866 . . . . 0.0 111.56 174.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -57.0 -46.36 82.33 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.672 1.123 . . . . 0.0 111.279 172.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 21.6 t -58.33 -45.71 87.58 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.651 0.66 . . . . 0.0 110.912 173.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.76 -49.65 74.65 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 6.5 p -67.86 -50.69 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 CA-C-N 119.36 0.982 . . . . 0.0 112.098 173.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 10.0 m -72.11 -36.06 69.34 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.991 0.814 . . . . 0.0 111.788 -168.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.11 -36.14 74.64 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.762 -1.211 . . . . 0.0 112.219 175.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -69.15 -38.74 78.95 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.334 -0.854 . . . . 0.0 110.608 172.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -55.1 -42.17 72.57 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.678 -0.639 . . . . 0.0 111.742 166.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.41 -26.81 45.75 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 126.636 2.065 . . . . 0.0 116.466 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 -3.62 15.05 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 119.56 1.68 . . . . 0.0 114.51 171.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.414 HG22 HG12 ' D' ' 23' ' ' VAL . 0.5 OUTLIER -57.51 136.31 20.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 124.277 1.031 . . . . 0.0 111.41 177.328 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -90.78 87.62 6.75 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 74.2 t -50.8 -38.96 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -165.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -71.74 -37.58 70.56 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 177.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -80.8 -55.17 4.99 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.091 0.556 . . . . 0.0 110.589 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . 0.414 HG12 HG22 ' D' ' 18' ' ' VAL . 0.8 OUTLIER -60.33 -32.01 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 121.169 -0.957 . . . . 0.0 112.077 176.1 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.96 -43.78 32.81 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-N 119.422 1.01 . . . . 0.0 112.105 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.15 -48.14 82.13 Favored Glycine 0 N--CA 1.466 0.69 0 CA-C-N 118.083 0.942 . . . . 0.0 112.604 168.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.8 -28.67 67.79 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 117.837 -1.078 . . . . 0.0 112.802 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.28 -63.9 0.97 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 121.562 1.983 . . . . 0.0 111.175 173.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 23.1 tp -67.67 -35.21 78.43 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.499 -0.751 . . . . 0.0 111.305 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -52.52 -58.9 9.93 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-O 118.125 -1.375 . . . . 0.0 111.523 163.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' ARG . . . . . 0.474 ' HA ' HG23 ' D' ' 33' ' ' VAL . 0.5 OUTLIER -49.98 -43.53 50.37 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.658 1.729 . . . . 0.0 112.533 -179.624 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 16.2 tp -52.02 -51.73 55.48 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.951 1.705 . . . . 0.0 110.559 175.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 mp -83.89 -9.16 58.94 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 117.555 -1.212 . . . . 0.0 113.058 -176.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' VAL . . . . . 0.474 HG23 ' HA ' ' D' ' 30' ' ' ARG . 2.0 m -75.2 -26.05 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 121.212 1.824 . . . . 0.0 114.237 167.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.16 8.22 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-N 121.021 1.737 . . . . 0.0 113.752 -176.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 47.66 39.52 0.59 Allowed Pre-proline 0 CA--C 1.559 1.301 0 C-N-CA 126.489 1.916 . . . . 0.0 115.477 -167.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -76.52 160.59 35.03 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.762 1.642 . . . . 0.0 112.241 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 9.5 p90 -54.38 -26.3 29.45 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.726 1.611 . . . . 0.0 113.897 169.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 16.4 p -59.93 -15.94 25.86 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 171.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -52.92 -20.74 3.59 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 166.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . 0.429 ' HE ' ' HH ' ' A' ' 42' ' ' TYR . 7.5 ptm180 -48.11 -29.77 3.92 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 173.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.05 5.14 42.46 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -177.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -55.05 -17.59 4.14 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -175.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -53.71 -31.68 49.03 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.424 1.09 . . . . 0.0 112.617 172.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 74.9 m -83.98 -2.07 55.88 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.224 1.409 . . . . 0.0 114.359 173.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -118.01 -27.04 6.24 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.164 1.386 . . . . 0.0 112.927 -169.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.36 -135.33 13.53 Favored Glycine 0 CA--C 1.534 1.28 0 CA-C-N 120.096 1.316 . . . . 0.0 113.449 175.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -47.12 95.48 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.2 2.2 . . . . 0.0 114.197 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 tt -147.36 -16.73 0.39 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -173.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -58.59 -12.78 4.45 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.675 1.732 . . . . 0.0 115.675 -173.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 35.4 p -136.31 156.83 76.43 Favored Pre-proline 0 N--CA 1.473 0.686 0 C-N-CA 126.484 1.914 . . . . 0.0 111.002 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.66 -41.15 49.49 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.211 2.608 . . . . 0.0 114.888 -172.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.94 -37.24 81.37 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.727 -0.608 . . . . 0.0 112.616 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.34 -53.16 61.42 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.912 0.885 . . . . 0.0 112.347 -175.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -61.9 -27.64 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -175.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 32.5 ttm -84.3 -26.22 28.7 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.48 -31.67 10.21 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 123.892 0.758 . . . . 0.0 114.078 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -39.4 113.83 0.87 Allowed Pre-proline 0 CA--C 1.557 1.25 0 C-N-CA 128.48 2.712 . . . . 0.0 115.173 -177.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.27 -41.95 68.76 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 124.161 3.241 . . . . 0.0 114.781 175.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -65.66 -39.87 91.81 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.008 1.323 . . . . 0.0 111.865 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 69.4 t -64.45 -41.94 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 123.647 0.779 . . . . 0.0 111.288 171.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -63.86 -43.46 96.02 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.78 1.173 . . . . 0.0 112.313 173.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.94 -52.81 61.58 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.433 1.093 . . . . 0.0 112.788 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -63.79 -33.24 75.23 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 120.963 -1.086 . . . . 0.0 111.845 173.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.68 -49.83 67.46 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.712 1.149 . . . . 0.0 113.497 169.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -55.96 -41.37 74.62 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.12 0.96 . . . . 0.0 111.419 169.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -71.11 -47.71 56.53 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 6.5 m -58.49 -40.14 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-N 120.709 1.595 . . . . 0.0 110.696 172.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 2.9 tt -69.86 -33.2 71.94 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.596 -0.69 . . . . 0.0 112.439 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.53 -37.72 83.9 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 125.494 1.521 . . . . 0.0 113.149 167.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.63 -46.72 71.68 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.532 1.166 . . . . 0.0 111.854 170.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . 0.411 ' CD2' HD22 ' D' ' 110' ' ' LEU . 21.6 m-85 -57.43 -38.69 74.77 Favored 'General case' 0 CA--C 1.551 0.99 0 O-C-N 121.062 -1.024 . . . . 0.0 112.513 174.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 79.5 p -78.33 -36.54 46.17 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -57.16 -36.38 70.68 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.446 1.021 . . . . 0.0 110.951 165.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.91 -60.15 9.2 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-O 119.52 -0.6 . . . . 0.0 111.832 166.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mt -53.97 -27.21 29.97 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 176.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.75 -23.04 25.61 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.507 1.523 . . . . 0.0 114.725 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -139.93 38.08 1.97 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.381 1.472 . . . . 0.0 112.592 -169.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 65.6 mt -53.99 -23.26 12.67 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -174.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -64.26 -25.73 68.19 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.788 1.635 . . . . 0.0 114.779 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -157.39 86.66 0.95 Allowed 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.493 1.042 . . . . 0.0 113.059 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.25 -29.33 62.69 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -69.64 -18.43 63.59 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 120.927 -1.108 . . . . 0.0 113.743 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -93.78 -43.22 3.95 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 124.575 1.083 . . . . 0.0 113.422 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 22.6 p -65.36 -31.72 72.99 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 118.617 1.209 . . . . 0.0 112.894 175.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -105.8 12.25 31.04 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -176.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.12 -41.59 65.18 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 121.243 1.838 . . . . 0.0 113.421 -177.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 22.0 p -66.12 -41.61 90.28 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.15 1.38 . . . . 0.0 112.812 173.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 44.3 mt -68.68 -35.86 77.76 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.564 0.745 . . . . 0.0 111.764 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 5.5 t -63.62 -45.89 88.24 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 124.423 1.089 . . . . 0.0 110.054 172.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -56.98 -48.69 77.82 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.065 -1.022 . . . . 0.0 112.184 171.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 51.4 tp -52.82 -56.12 18.08 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.997 0.817 . . . . 0.0 110.724 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -76.44 18.87 0.28 Allowed 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 84.0 m -135.66 -76.18 0.44 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.771 1.228 . . . . 0.0 110.902 171.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.37 -29.87 70.18 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.416 1.486 . . . . 0.0 113.872 -175.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -102.19 -39.69 7.13 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.071 0.949 . . . . 0.0 111.931 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . 0.46 ' C ' ' H ' ' D' ' 98' ' ' VAL . 0.0 OUTLIER -142.31 79.17 1.65 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.795 1.638 . . . . 0.0 110.444 -176.054 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -67.25 30.12 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 125.635 1.574 . . . . 0.0 113.735 172.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 98' ' ' VAL . . . . . 0.46 ' H ' ' C ' ' D' ' 96' ' ' LEU . 77.6 t -41.2 137.27 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 129.295 3.038 . . . . 0.0 111.759 175.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -61.77 141.47 95.15 Favored Pre-proline 0 CA--C 1.554 1.125 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -173.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -63.89 -28.23 67.14 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.003 2.469 . . . . 0.0 114.626 -169.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -56.68 -37.23 70.56 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.058 -1.026 . . . . 0.0 112.058 173.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -59.16 -37.29 76.99 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.47 -0.769 . . . . 0.0 111.824 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -69.29 -45.96 68.35 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.892 0.877 . . . . 0.0 111.241 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -59.13 -42.39 90.53 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.906 0.482 . . . . 0.0 111.266 175.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.79 -43.85 98.02 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.835 0.854 . . . . 0.0 113.052 173.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 2.6 tt -61.28 -31.03 70.85 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.403 1.456 . . . . 0.0 111.757 170.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 107' ' ' GLY . . . . . 0.443 ' CA ' HG13 ' D' ' 134' ' ' VAL . . . -64.96 -55.35 22.53 Favored Glycine 0 CA--C 1.526 0.728 0 O-C-N 120.174 -1.579 . . . . 0.0 114.683 170.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -59.26 -21.18 59.22 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.734 -0.862 . . . . 0.0 112.308 171.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 10.9 t -65.68 -56.19 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 O-C-N 119.932 -1.73 . . . . 0.0 112.245 166.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . 0.411 HD22 ' CD2' ' D' ' 71' ' ' PHE . 59.4 tp -53.0 -51.15 62.57 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 119.164 0.893 . . . . 0.0 111.542 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 m -56.5 -37.24 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.305 -175.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 35.4 m -77.54 -37.62 50.42 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-O 117.193 -1.384 . . . . 0.0 112.896 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 113' ' ' VAL . . . . . 0.552 ' HA ' ' CD2' ' D' ' 116' ' ' HIS . 6.0 p -60.67 -32.69 52.38 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 CA-C-N 121.89 2.132 . . . . 0.0 112.789 173.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 114' ' ' LEU . . . . . 0.447 HD13 ' CE2' ' D' ' 130' ' ' TYR . 28.0 mt -62.24 -40.57 96.6 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.647 -0.658 . . . . 0.0 110.995 171.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.85 82.19 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.445 0.905 . . . . 0.0 113.445 169.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 116' ' ' HIS . . . . . 0.552 ' CD2' ' HA ' ' D' ' 113' ' ' VAL . 6.8 m-70 -66.42 -32.86 74.51 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.081 0.953 . . . . 0.0 111.959 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -91.63 -37.61 12.96 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.719 0.808 . . . . 0.0 112.698 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -121.73 35.81 4.79 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.742 1.217 . . . . 0.0 113.18 -169.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -43.26 -47.55 6.75 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 126.064 1.792 . . . . 0.0 116.813 -173.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -23.22 67.3 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 178.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.13 -3.31 21.61 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.22 1.808 . . . . 0.0 112.106 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -78.86 64.51 3.84 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.13 1.372 . . . . 0.0 111.911 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 60.0 p -59.44 157.38 25.62 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 125.09 1.356 . . . . 0.0 112.126 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -43.87 -52.67 5.22 Favored 'Trans proline' 0 CA--C 1.547 1.17 0 C-N-CA 123.247 2.631 . . . . 0.0 115.225 173.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -69.94 -21.57 32.47 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.794 2.329 . . . . 0.0 115.662 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 1.1 t -56.77 -39.49 64.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 120.997 1.726 . . . . 0.0 111.581 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -68.59 -45.31 72.35 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 122.737 0.415 . . . . 0.0 111.348 176.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.3 77.78 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.002 0.921 . . . . 0.0 112.663 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.13 -54.4 26.01 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.391 1.076 . . . . 0.0 111.566 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 130' ' ' TYR . . . . . 0.447 ' CE2' HD13 ' D' ' 114' ' ' LEU . 8.0 m-85 -58.24 -44.64 88.37 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.487 -0.758 . . . . 0.0 111.837 173.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -54.55 -44.54 72.97 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.563 -0.732 . . . . 0.0 112.157 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -63.59 -49.7 72.34 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.965 1.257 . . . . 0.0 113.711 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . 0.477 ' HA ' HG12 ' D' ' 1' ' ' VAL . 8.9 p -62.44 -38.82 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-N 119.667 1.121 . . . . 0.0 111.914 177.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 134' ' ' VAL . . . . . 0.443 HG13 ' CA ' ' D' ' 107' ' ' GLY . 61.6 t -67.13 -39.86 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 123.466 0.706 . . . . 0.0 112.349 176.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.62 -41.36 98.29 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.366 0.985 . . . . 0.0 111.909 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.21 -45.21 95.7 Favored Glycine 0 CA--C 1.533 1.176 0 O-C-N 121.915 -0.491 . . . . 0.0 112.534 170.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 1.9 t -54.83 -52.64 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.883 0.873 . . . . 0.0 111.73 170.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.4 91.1 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.577 1.081 . . . . 0.0 112.183 -178.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -57.35 -50.11 74.01 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.71 0.804 . . . . 0.0 111.492 172.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.89 99.09 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 13.9 mt -68.18 -25.6 65.33 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.282 -1.512 . . . . 0.0 112.827 175.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.93 -3.5 58.75 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 171.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -49.34 -37.49 24.73 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -168.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -75.99 -3.71 37.14 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -142.14 3.25 1.56 Allowed 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.259 1.554 0 C-N-CA 126.383 1.873 . . . . 0.0 115.652 -175.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.509 2.493 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.8 mt -136.19 -179.13 5.49 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.739 1.616 . . . . 0.0 111.276 -173.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -112.47 166.09 11.7 Favored Pre-proline 0 N--CA 1.479 1.008 0 C-N-CA 126.097 1.759 . . . . 0.0 110.54 -172.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -78.62 -42.55 0.2 Allowed 'Trans proline' 0 CA--C 1.538 0.694 0 CA-C-N 121.583 1.601 . . . . 0.0 113.134 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.27 -33.48 75.4 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.05 -43.22 81.77 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.18 0.446 . . . . 0.0 110.964 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -55.95 -48.79 75.12 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.45 1.1 . . . . 0.0 110.954 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -56.83 -44.78 82.39 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.639 0.776 . . . . 0.0 111.437 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -67.89 -39.44 83.64 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.691 0.678 . . . . 0.0 112.482 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.7 t -61.99 -51.61 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.716 0.806 . . . . 0.0 110.654 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -60.44 -42.81 96.86 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.748 0.704 . . . . 0.0 111.179 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.9 -50.25 73.98 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.207 0.603 . . . . 0.0 111.685 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.35 -54.17 44.36 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.549 0.613 . . . . 0.0 111.975 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -63.01 -26.32 68.8 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -176.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.83 -38.56 94.19 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.445 1.022 . . . . 0.0 113.78 168.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.2 mmtt -73.72 -33.07 64.2 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 118.088 0.944 . . . . 0.0 111.673 173.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.463 HG13 ' CD2' ' A' ' 24' ' ' TYR . 99.9 t -68.85 -24.78 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.539 1.536 . . . . 0.0 113.092 176.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.77 125.41 1.75 Allowed Glycine 0 CA--C 1.541 1.69 0 C-N-CA 125.133 1.349 . . . . 0.0 114.13 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 77.33 -38.68 0.29 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 128.997 2.919 . . . . 0.0 114.655 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -74.77 -17.66 60.6 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.152 0.981 . . . . 0.0 113.152 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.417 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -44.85 -49.75 10.69 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.155 2.182 . . . . 0.0 114.754 -172.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.41 -37.44 94.82 Favored Glycine 0 N--CA 1.469 0.865 0 O-C-N 121.957 -0.464 . . . . 0.0 113.594 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -41.94 83.74 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.709 0.804 . . . . 0.0 111.067 175.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.463 ' CD2' HG13 ' A' ' 17' ' ' VAL . 14.8 m-30 -63.91 -39.6 94.55 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.276 0.943 . . . . 0.0 112.233 174.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.39 -59.16 11.35 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 123.708 0.67 . . . . 0.0 111.607 170.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.63 -52.3 40.85 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.466 1.506 . . . . 0.0 112.716 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.16 -38.16 79.06 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.961 1.304 . . . . 0.0 112.398 175.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.28 82.34 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.188 0.904 . . . . 0.0 112.307 177.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 mt -62.61 -47.92 81.67 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.324 0.511 . . . . 0.0 110.286 170.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -46.93 87.46 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.415 0.686 . . . . 0.0 111.131 -177.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -54.81 -50.73 67.84 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.877 1.271 . . . . 0.0 111.397 169.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 49.8 ttp -57.14 -44.29 83.25 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.513 1.052 . . . . 0.0 112.084 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.79 -23.08 65.98 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.7 mt -98.32 -40.97 8.07 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.867 0.867 . . . . 0.0 110.7 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.9 m -77.29 -18.75 57.28 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.881 2.073 . . . . 0.0 113.588 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -140.38 80.54 19.1 Favored Pre-proline 0 CA--C 1.537 0.471 0 C-N-CA 126.003 1.721 . . . . 0.0 108.849 174.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -45.91 -26.53 3.43 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 124.434 3.423 . . . . 0.0 114.36 174.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.7 m -41.16 -29.4 0.12 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.292 2.237 . . . . 0.0 115.991 164.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.8 p -80.99 -25.56 37.19 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 122.908 2.594 . . . . 0.0 113.926 175.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -56.71 -35.05 68.08 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 119.975 1.262 . . . . 0.0 111.753 168.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.82 -19.47 64.1 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 175.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.35 0.72 3.58 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.029 -1.045 . . . . 0.0 113.632 171.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.7 t80 59.8 60.29 4.34 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 125.653 1.581 . . . . 0.0 112.373 171.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -59.22 136.96 76.03 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 124.006 3.137 . . . . 0.0 113.307 -167.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -78.16 13.99 1.3 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.796 1.238 . . . . 0.0 113.777 175.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -139.56 151.83 46.39 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.885 1.674 . . . . 0.0 111.406 -173.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -83.05 146.97 28.42 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.294 0.638 . . . . 0.0 111.324 169.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.8 28.34 1.16 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.972 0.909 . . . . 0.0 113.429 -172.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.5 p -62.62 -56.81 14.35 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.247 1.019 . . . . 0.0 112.667 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -163.86 141.08 7.04 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.259 1.824 . . . . 0.0 110.863 172.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.77 25.64 59.19 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 116.44 1.336 . . . . 0.0 116.44 168.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.9 t -55.79 133.42 51.04 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.177 1.391 . . . . 0.0 114.338 -170.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.43 -27.14 65.79 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.197 1.399 . . . . 0.0 113.513 172.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -84.72 -40.49 17.26 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.4 0.68 . . . . 0.0 111.341 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.7 t -65.19 -41.03 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-O 118.639 -0.696 . . . . 0.0 112.095 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -61.47 -40.34 94.19 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 119.908 1.231 . . . . 0.0 112.942 174.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.38 -52.42 31.21 Favored Glycine 0 N--CA 1.472 1.063 0 C-N-CA 124.354 0.978 . . . . 0.0 112.222 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.26 -40.8 74.78 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.039 0.935 . . . . 0.0 111.941 173.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.49 -49.51 68.79 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 124.036 0.826 . . . . 0.0 113.328 172.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -55.49 -41.72 73.44 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.533 1.166 . . . . 0.0 112.262 171.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -61.38 -50.88 71.11 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.316 0.962 . . . . 0.0 112.166 175.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.4 t -57.7 -42.45 81.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 CA-C-N 119.326 0.967 . . . . 0.0 110.92 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.417 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -62.7 -47.23 84.55 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 176.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -61.18 -38.38 86.33 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.377 0.99 . . . . 0.0 111.929 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.0 99.9 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.742 -0.599 . . . . 0.0 112.422 171.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.57 -45.09 92.86 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.302 170.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.0 m -56.11 -45.41 79.48 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.761 1.164 . . . . 0.0 111.722 172.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -27.72 67.13 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 120.344 1.429 . . . . 0.0 112.769 176.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.01 -45.9 69.34 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.244 0.929 . . . . 0.0 111.413 169.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.8 t -59.73 -46.83 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 119.808 1.186 . . . . 0.0 111.368 174.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.81 -26.13 67.92 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.86 1.264 . . . . 0.0 113.949 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -130.66 32.71 4.35 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.858 1.263 . . . . 0.0 111.002 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.7 p -60.78 -20.96 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -164.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.43 6.59 26.39 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 119.752 1.16 . . . . 0.0 113.359 170.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -141.26 29.32 1.81 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 128.031 2.533 . . . . 0.0 110.832 -165.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -112.81 40.07 0.21 Allowed Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 125.243 1.417 . . . . 0.0 114.587 -175.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -64.7 -29.05 60.13 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 CA-C-N 122.935 2.084 . . . . 0.0 113.257 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -130.25 -0.3 4.58 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.86 -16.18 63.7 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.115 -1.615 . . . . 0.0 114.344 -174.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.8 mt -104.1 13.52 32.3 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.966 1.306 . . . . 0.0 111.835 169.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.6 t -57.93 -41.99 83.9 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 119.948 1.249 . . . . 0.0 112.208 -172.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.25 -27.21 44.81 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 172.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.2 mt -87.82 -38.46 15.69 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.427 1.091 . . . . 0.0 110.517 -178.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.7 p -64.61 -33.75 76.67 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 168.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -62.01 -48.11 81.78 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.955 1.302 . . . . 0.0 110.779 170.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.6 tp -53.33 -44.47 68.48 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 121.284 -0.885 . . . . 0.0 112.033 169.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -76.88 18.03 0.38 Allowed 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 125.711 1.604 . . . . 0.0 114.105 175.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.34 -46.08 0.17 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -176.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -59.15 -35.29 73.24 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.61 1.164 . . . . 0.0 111.571 172.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -144.56 -172.05 3.73 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 128.672 2.789 . . . . 0.0 109.114 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 82.3 mt 27.1 73.31 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.077 2.151 . . . . 0.0 114.208 167.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -38.57 -54.62 1.51 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.209 1.403 . . . . 0.0 112.714 -177.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 98.6 t 48.06 71.82 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 122.809 1.29 . . . . 0.0 111.13 176.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -58.7 147.21 71.99 Favored Pre-proline 0 CA--C 1.544 0.743 0 O-C-N 120.725 -1.234 . . . . 0.0 112.313 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.81 -24.52 31.16 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 123.531 2.821 . . . . 0.0 115.197 -168.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 18.1 t -39.53 -52.28 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.996 1.318 . . . . 0.0 112.036 165.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -57.29 -39.95 76.81 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -40.11 78.98 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.959 178.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -61.2 -42.08 97.95 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.551 0.614 . . . . 0.0 110.044 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.8 mt -59.06 -55.96 28.4 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.333 1.053 . . . . 0.0 109.245 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -34.02 72.02 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 122.803 0.441 . . . . 0.0 112.07 176.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.8 m -68.79 -39.18 80.28 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.937 -1.102 . . . . 0.0 113.471 176.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -59.4 -44.2 92.87 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.322 -0.861 . . . . 0.0 110.407 167.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 73.2 m -63.11 -32.36 73.73 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 174.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.7 mt -69.99 -48.62 57.45 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.646 1.178 . . . . 0.0 111.728 170.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.0 mt -53.18 -41.71 65.51 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.357 -0.839 . . . . 0.0 110.308 174.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 27.1 t -58.22 -48.58 84.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.033 0.933 . . . . 0.0 113.168 171.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.2 p -67.72 -35.28 78.48 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 120.266 1.394 . . . . 0.0 112.454 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.05 -48.37 82.0 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.59 0.632 . . . . 0.0 110.119 171.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.2 68.9 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.25 -6.63 10.11 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 176.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -139.04 -44.9 0.47 Allowed 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.792 1.178 . . . . 0.0 114.079 -175.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.8 mp -78.0 141.8 63.69 Favored Pre-proline 0 CA--C 1.559 1.297 0 CA-C-O 116.482 -1.723 . . . . 0.0 108.004 169.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -54.14 -122.5 0.0 OUTLIER 'Trans proline' 0 CA--C 1.555 1.547 1 C-N-CA 126.677 4.918 . . . . 0.0 117.446 -177.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.34 54.31 0.05 Allowed 'General case' 0 CA--C 1.543 0.696 0 O-C-N 118.98 -2.325 . . . . 0.0 110.465 159.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.31 -19.7 9.35 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.511 -1.368 . . . . 0.0 112.768 -178.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.76 37.81 1.27 Allowed 'General case' 0 N--CA 1.434 -1.234 0 C-N-CA 126.308 1.843 . . . . 0.0 113.231 176.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.507 ' HG1' ' H ' ' A' ' 121' ' ' VAL . 1.1 p -53.67 160.03 2.23 Favored Pre-proline 0 N--CA 1.475 0.797 0 O-C-N 120.948 -1.095 . . . . 0.0 110.19 169.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -47.25 -44.94 23.26 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.097 1.865 . . . . 0.0 115.106 169.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.16 -54.33 35.47 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.497 0.59 . . . . 0.0 110.931 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.507 ' H ' ' HG1' ' A' ' 118' ' ' THR . 14.0 t -76.89 -34.09 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.401 -0.812 . . . . 0.0 112.935 -168.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -73.43 -48.75 31.26 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.971 1.308 . . . . 0.0 112.349 175.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.15 -47.94 79.93 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 118.791 0.723 . . . . 0.0 109.687 173.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.0 t -53.92 -61.81 2.06 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 123.959 0.904 . . . . 0.0 112.51 174.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 59.2 mt -60.66 -42.83 97.82 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.964 1.256 . . . . 0.0 112.049 -175.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.86 -43.21 93.71 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 120.123 1.329 . . . . 0.0 112.175 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -30.12 61.9 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.301 0.955 . . . . 0.0 113.172 177.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -61.46 -58.93 6.19 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 124.718 1.207 . . . . 0.0 109.923 169.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.25 -42.79 70.32 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.506 0.722 . . . . 0.0 110.756 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.57 -42.69 75.07 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.051 1.296 . . . . 0.0 112.664 173.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.7 m -70.4 -32.22 69.77 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 171.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 83.3 t -55.2 -50.3 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 120.237 1.38 . . . . 0.0 108.831 167.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.5 t -58.37 -49.02 78.73 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.103 0.961 . . . . 0.0 113.278 174.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 96.7 m -51.37 -46.01 62.63 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.067 0.849 . . . . 0.0 110.695 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 79.9 t -68.16 -41.67 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 O-C-N 121.47 -0.769 . . . . 0.0 112.194 174.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -6.21 3.32 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 120.395 -1.441 . . . . 0.0 113.15 171.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 61.8 m -116.42 -20.78 9.55 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.995 2.118 . . . . 0.0 112.047 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 50.8 m -148.27 131.61 16.56 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.182 1.393 . . . . 0.0 112.006 -172.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.48 -131.02 0.31 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.038 1.735 . . . . 0.0 110.81 -175.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -52.02 -27.95 15.36 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 174.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? . . . . . 0 C--O 1.253 1.272 0 C-N-CA 127.33 2.252 . . . . 0.0 109.562 166.446 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.289 2.5 p . . . . . 0 N--CA 1.515 2.816 0 CA-C-O 117.498 -1.239 . . . . 0.0 113.209 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 9.19 75.08 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 129.191 2.996 . . . . 0.0 116.263 -172.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.85 154.32 34.01 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.846 -0.534 . . . . 0.0 112.013 -170.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.44 145.74 96.93 Favored Pre-proline 0 N--CA 1.482 1.169 0 CA-C-O 118.133 -0.937 . . . . 0.0 109.76 168.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -52.22 -39.55 71.5 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 123.466 2.777 . . . . 0.0 115.943 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.73 -41.27 79.22 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.026 0.83 . . . . 0.0 111.828 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -67.61 -42.99 81.52 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 118.807 -0.616 . . . . 0.0 111.001 176.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -53.95 -53.85 47.07 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.271 1.029 . . . . 0.0 110.82 168.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.5 t -53.58 -46.11 70.22 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.412 0.551 . . . . 0.0 111.442 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.02 -53.28 60.22 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 175.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -63.71 -49.05 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 119.914 1.234 . . . . 0.0 111.839 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -71.47 -34.68 70.42 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.787 1.176 . . . . 0.0 112.377 -173.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.29 -39.42 85.98 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 120.097 1.317 . . . . 0.0 112.193 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tt -73.04 -26.87 61.45 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.525 -0.734 . . . . 0.0 111.297 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -63.62 -43.18 97.62 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.1 -1.0 . . . . 0.0 111.894 162.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.56 -31.78 45.02 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.726 1.631 . . . . 0.0 115.261 -178.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -96.35 -9.36 30.25 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 174.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.51 HG23 HG12 ' B' ' 23' ' ' VAL . 0.4 OUTLIER -65.1 142.25 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 124.235 1.014 . . . . 0.0 112.046 -171.548 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -90.99 76.14 6.25 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.34 1.056 . . . . 0.0 109.852 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 85.3 t -47.83 -40.07 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 -163.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -68.41 -49.2 61.75 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.65 1.114 . . . . 0.0 112.712 173.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.02 -51.25 14.05 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.511 0.724 . . . . 0.0 111.023 -173.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.51 HG12 HG23 ' B' ' 18' ' ' VAL . 0.5 OUTLIER -64.56 -31.33 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.663 1.185 . . . . 0.0 111.564 176.151 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.02 -42.87 35.61 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 118.965 0.802 . . . . 0.0 111.668 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.38 -44.48 96.77 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 117.808 0.804 . . . . 0.0 112.774 172.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.4 -48.87 79.9 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 123.494 0.717 . . . . 0.0 111.244 170.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.73 -56.18 25.48 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.755 1.616 . . . . 0.0 112.418 177.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 56.8 tp -67.06 -40.35 87.07 Favored 'General case' 0 C--O 1.225 -0.219 0 O-C-N 121.401 -0.812 . . . . 0.0 111.662 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.28 -50.18 70.59 Favored Glycine 0 C--N 1.333 0.394 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 173.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.582 ' HA ' HG22 ' B' ' 33' ' ' VAL . 16.9 mtp85 -52.68 -35.95 56.18 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.991 1.316 . . . . 0.0 113.805 175.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 18.1 tp -52.58 -41.93 64.06 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.058 1.299 . . . . 0.0 109.816 174.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -88.53 -28.87 20.49 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 117.993 -1.004 . . . . 0.0 111.67 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.582 HG22 ' HA ' ' B' ' 30' ' ' ARG . 4.7 m -56.84 -25.82 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 CA-C-N 121.152 1.796 . . . . 0.0 113.659 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -2.54 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-N 119.416 1.007 . . . . 0.0 113.266 175.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 t80 54.71 35.75 0.3 Allowed Pre-proline 0 CA--C 1.561 1.378 0 C-N-CA 126.221 1.808 . . . . 0.0 115.038 -169.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -78.79 172.85 14.43 Favored 'Trans proline' 0 C--N 1.36 1.132 0 C-N-CA 122.975 2.45 . . . . 0.0 112.008 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 8.3 p90 -56.6 -29.94 62.67 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 172.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.99 -23.92 62.28 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.947 -1.095 . . . . 0.0 113.461 171.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -57.96 -26.83 62.82 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.047 -1.033 . . . . 0.0 112.826 171.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -64.41 -13.57 51.84 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.64 15.16 18.84 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 119.288 0.949 . . . . 0.0 113.432 172.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -53.64 -27.8 29.29 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -176.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -47.92 -37.43 14.29 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.851 1.26 . . . . 0.0 113.757 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 19.3 m -65.52 -21.64 66.63 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 178.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -109.96 -8.76 14.81 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.855 1.662 . . . . 0.0 112.174 175.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.0 -160.75 6.9 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 124.494 1.045 . . . . 0.0 113.79 -171.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 39.02 -122.73 0.32 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.43 1.892 . . . . 0.0 112.737 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 8.7 tt 58.63 -10.38 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.994 2.117 . . . . 0.0 116.6 -177.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 11.9 m -51.32 -19.49 1.31 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.021 1.728 . . . . 0.0 115.597 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 61.3 p -134.24 158.99 74.02 Favored Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 125.564 1.546 . . . . 0.0 111.257 166.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -56.03 -42.53 65.7 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 123.601 2.867 . . . . 0.0 114.712 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.15 -36.6 84.57 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.123 0.569 . . . . 0.0 111.65 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.38 93.78 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.86 -31.99 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 CA-C-N 120.991 1.723 . . . . 0.0 113.431 -175.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 16.3 ptp -92.49 -18.19 23.52 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.18 -31.42 17.05 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 123.792 0.71 . . . . 0.0 114.581 171.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -59.3 125.3 78.54 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 125.268 1.427 . . . . 0.0 113.356 -173.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -64.49 -30.4 61.74 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.786 2.324 . . . . 0.0 113.825 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -69.04 -36.32 77.59 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.479 1.036 . . . . 0.0 112.799 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 76.8 t -65.06 -40.27 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.765 1.226 . . . . 0.0 110.988 166.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -62.46 -45.7 91.84 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 120.151 1.341 . . . . 0.0 111.954 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.07 -50.01 72.27 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.906 1.283 . . . . 0.0 113.412 176.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -62.02 -37.05 83.43 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.991 -1.068 . . . . 0.0 112.06 172.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.63 -48.74 64.21 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 124.733 1.159 . . . . 0.0 112.412 169.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -54.79 -43.55 72.96 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.842 1.657 . . . . 0.0 111.742 172.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -66.32 -55.57 15.34 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.39 1.076 . . . . 0.0 113.397 174.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 4.3 m -60.09 -39.99 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 120.855 1.661 . . . . 0.0 112.108 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.7 tt -69.67 -40.27 76.53 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.631 -0.668 . . . . 0.0 111.013 175.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.38 -36.6 84.63 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.996 1.284 . . . . 0.0 113.796 173.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.81 -49.71 67.29 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.366 1.083 . . . . 0.0 111.908 168.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -54.65 -40.65 69.23 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 174.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 84.4 p -71.17 -34.32 70.85 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 120.81 -1.182 . . . . 0.0 113.473 173.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.36 -28.4 65.08 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.129 0.877 . . . . 0.0 112.034 166.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.81 -63.9 4.85 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 124.169 0.89 . . . . 0.0 111.858 164.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.54 -34.42 36.37 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 118.53 1.165 . . . . 0.0 113.566 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.94 -18.48 58.24 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.22 39.33 1.0 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.274 1.43 . . . . 0.0 112.991 -170.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 70.2 mt -57.14 -21.53 33.32 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.663 -1.273 . . . . 0.0 114.171 -178.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -65.7 -11.49 45.66 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.236 2.214 . . . . 0.0 115.561 174.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -113.94 -60.34 1.9 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.877 1.217 . . . . 0.0 113.804 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 53.23 9.26 0.14 Allowed 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 118.627 2.825 . . . . 0.0 118.627 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -133.34 -61.44 0.82 Allowed 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 120.205 1.366 . . . . 0.0 111.815 171.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.23 -39.92 82.98 Favored Glycine 0 N--CA 1.478 1.493 0 CA-C-N 118.926 0.785 . . . . 0.0 114.64 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.4 t -66.58 -14.95 63.04 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 175.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -122.85 -1.1 8.94 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.811 1.644 . . . . 0.0 114.693 -176.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.91 -33.15 71.48 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 120.906 1.684 . . . . 0.0 114.506 -171.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 19.4 p -64.72 -40.96 96.22 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.189 -0.945 . . . . 0.0 112.009 170.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 18.9 mt -73.45 -39.46 64.94 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-O 118.317 -0.849 . . . . 0.0 112.127 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 83.7 p -64.59 -38.38 90.81 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 120.221 1.373 . . . . 0.0 111.569 175.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -65.32 -44.85 86.52 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.054 0.542 . . . . 0.0 112.167 172.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 51.6 tp -55.49 -56.46 19.98 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.261 -0.899 . . . . 0.0 110.913 171.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -77.0 30.09 0.13 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.124 1.77 . . . . 0.0 113.653 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 3.8 t -149.85 -80.64 0.12 Allowed 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.848 0.859 . . . . 0.0 108.848 169.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.92 -17.17 49.49 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.762 2.025 . . . . 0.0 115.732 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -112.93 -35.74 5.34 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.267 1.427 . . . . 0.0 112.137 171.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 13.3 mt -133.5 84.95 2.17 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.081 2.152 . . . . 0.0 108.136 -174.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -33.08 61.01 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -173.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 59.8 t 19.52 96.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 129.083 2.953 . . . . 0.0 114.968 160.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -55.12 132.64 68.6 Favored Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -176.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -53.18 -19.81 13.03 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 124.506 3.471 . . . . 0.0 118.094 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -52.65 -33.41 46.85 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 120.73 -1.231 . . . . 0.0 112.017 166.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.92 -38.52 88.74 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.977 -1.077 . . . . 0.0 112.095 172.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -68.43 -42.72 78.48 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.903 0.881 . . . . 0.0 110.595 176.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -57.64 -49.89 74.95 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.726 0.81 . . . . 0.0 110.66 172.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 84.5 mt -57.82 -50.81 72.03 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 118.354 -0.832 . . . . 0.0 112.279 175.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 tt -55.67 -36.05 66.67 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 120.173 1.351 . . . . 0.0 110.909 173.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . 0.478 ' CA ' HG12 ' B' ' 134' ' ' VAL . . . -67.33 -54.02 22.36 Favored Glycine 0 CA--C 1.519 0.302 0 O-C-N 120.921 -1.112 . . . . 0.0 114.975 176.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -55.67 -35.2 65.72 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.395 1.097 . . . . 0.0 110.14 171.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 t -65.49 -41.15 90.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-O 117.585 -1.197 . . . . 0.0 113.127 173.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 66.2 tp -58.97 -53.46 58.17 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 121.543 1.974 . . . . 0.0 111.129 176.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.3 m -55.44 -37.77 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -171.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 48.7 t -77.02 -27.72 54.68 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -172.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 p -68.68 -38.87 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 O-C-N 119.991 -1.693 . . . . 0.0 110.819 170.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.21 -37.11 81.82 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.713 0.688 . . . . 0.0 110.653 171.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.8 -27.14 66.33 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 170.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -75.23 -61.67 1.82 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 120.571 1.532 . . . . 0.0 111.744 167.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -63.64 -24.06 67.64 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -169.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -132.36 24.01 4.45 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.322 1.449 . . . . 0.0 111.999 -174.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -46.02 -41.01 10.39 Favored Glycine 0 N--CA 1.475 1.293 0 C-N-CA 125.688 1.613 . . . . 0.0 116.09 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -63.55 -22.06 66.68 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -105.37 -2.51 23.78 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.383 1.873 . . . . 0.0 112.61 174.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -86.45 58.27 4.96 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.776 -1.202 . . . . 0.0 113.114 -169.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.518 ' HG1' ' H ' ' B' ' 126' ' ' VAL . 32.1 p -53.45 157.9 3.22 Favored Pre-proline 0 N--CA 1.481 1.097 0 C-N-CA 126.228 1.811 . . . . 0.0 113.773 -174.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -47.54 -49.9 12.45 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.508 2.139 . . . . 0.0 115.218 170.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.39 -27.0 40.57 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 121.336 1.357 . . . . 0.0 114.418 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . 0.518 ' H ' ' HG1' ' B' ' 123' ' ' THR . 0.3 OUTLIER -65.8 -40.01 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 122.091 2.223 . . . . 0.0 111.903 176.676 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -60.35 -42.15 95.15 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.894 0.77 . . . . 0.0 111.198 176.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.8 -32.07 73.11 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.98 -51.96 53.7 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.472 -0.767 . . . . 0.0 110.398 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -52.03 -48.75 64.4 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.41 0.55 . . . . 0.0 111.276 169.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 15.1 tm0? -54.4 -46.47 73.14 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 118.166 -0.921 . . . . 0.0 112.736 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -63.36 -41.78 98.84 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.792 1.633 . . . . 0.0 113.232 -176.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 1.6 p -73.8 -38.75 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 119.154 0.888 . . . . 0.0 112.215 174.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . 0.478 HG12 ' CA ' ' B' ' 107' ' ' GLY . 88.8 t -72.19 -34.84 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 118.805 0.729 . . . . 0.0 112.453 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.08 93.16 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 120.956 -1.09 . . . . 0.0 111.476 167.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -53.07 -52.98 36.38 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-O 119.69 -0.505 . . . . 0.0 112.349 166.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.0 -42.84 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 118.391 1.096 . . . . 0.0 112.388 175.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.92 -47.69 83.8 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.439 -0.788 . . . . 0.0 111.664 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.3 -31.97 73.38 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.75 -0.594 . . . . 0.0 112.073 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.18 -48.67 64.64 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.733 0.813 . . . . 0.0 111.382 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.12 -34.49 75.05 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.433 -0.792 . . . . 0.0 111.569 173.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.23 -4.29 24.9 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 172.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -57.67 -43.08 84.75 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 121.249 1.84 . . . . 0.0 113.363 -176.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -73.97 2.06 9.51 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.806 1.242 . . . . 0.0 113.664 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.42 -28.52 6.83 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 128.018 2.527 . . . . 0.0 111.891 -176.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 . . . . . 0 C--O 1.257 1.463 0 C-N-CA 128.651 2.78 . . . . 0.0 115.783 -174.852 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.25 5.3 p . . . . . 0 N--CA 1.51 2.55 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 21.1 mt -136.28 -179.21 5.54 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.865 1.666 . . . . 0.0 111.256 -173.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -112.42 165.98 11.91 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 126.104 1.762 . . . . 0.0 110.475 -172.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -78.62 -42.48 0.21 Allowed 'Trans proline' 0 CA--C 1.538 0.71 0 CA-C-N 121.537 1.585 . . . . 0.0 113.107 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.31 -33.44 75.29 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.624 -0.673 . . . . 0.0 112.758 -177.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.05 -43.27 81.83 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 118.204 0.456 . . . . 0.0 110.985 177.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -55.86 -48.78 74.93 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.523 1.129 . . . . 0.0 111.013 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 98.1 m -56.83 -44.83 82.47 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.685 0.794 . . . . 0.0 111.5 177.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -67.99 -39.43 83.25 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.589 -0.694 . . . . 0.0 112.327 177.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 87.8 t -61.97 -51.72 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.713 0.805 . . . . 0.0 110.639 174.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -60.29 -42.96 96.58 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.734 0.697 . . . . 0.0 111.173 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.78 -50.28 73.78 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.206 0.603 . . . . 0.0 111.647 175.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.23 -54.2 44.33 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.541 0.61 . . . . 0.0 112.049 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -63.08 -26.31 68.77 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.207 -0.933 . . . . 0.0 113.294 -175.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.76 -38.69 94.28 Favored Glycine 0 CA--C 1.538 1.511 0 O-C-N 121.022 -1.049 . . . . 0.0 113.778 168.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -73.59 -33.18 64.5 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 118.025 0.913 . . . . 0.0 111.629 173.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.454 HG13 ' CD2' ' C' ' 24' ' ' TYR . 97.6 t -68.9 -24.74 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.539 1.536 . . . . 0.0 113.048 176.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.84 125.59 1.79 Allowed Glycine 0 CA--C 1.542 1.735 0 C-N-CA 125.142 1.353 . . . . 0.0 114.109 175.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 76.91 -38.38 0.3 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 129.004 2.921 . . . . 0.0 114.776 -174.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -74.88 -17.67 60.55 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.213 1.005 . . . . 0.0 113.123 172.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . 0.4 ' HB3' HG11 ' C' ' 17' ' ' VAL . . . -44.77 -49.71 10.5 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.155 2.182 . . . . 0.0 114.724 -172.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.7 -37.22 94.39 Favored Glycine 0 N--CA 1.47 0.923 0 O-C-N 121.856 -0.528 . . . . 0.0 113.541 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -42.16 83.59 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.773 0.829 . . . . 0.0 111.025 175.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . 0.454 ' CD2' HG13 ' C' ' 17' ' ' VAL . 14.7 m-30 -63.73 -39.4 94.21 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.309 0.958 . . . . 0.0 112.358 174.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.45 -59.28 11.13 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 123.706 0.67 . . . . 0.0 111.616 170.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.73 -52.21 42.56 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.453 1.501 . . . . 0.0 112.7 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.08 -38.31 79.16 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 124.865 1.266 . . . . 0.0 112.444 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.51 -36.07 81.81 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 119.14 0.882 . . . . 0.0 112.228 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.78 -47.75 82.13 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.423 0.556 . . . . 0.0 110.335 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.85 -46.8 88.13 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.332 0.653 . . . . 0.0 111.152 -177.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -54.57 -50.94 66.77 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 124.896 1.278 . . . . 0.0 111.413 169.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 49.7 ttp -57.01 -44.52 82.9 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.397 0.999 . . . . 0.0 112.146 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -61.74 -23.33 66.09 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 47.9 mt -97.94 -40.85 8.27 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.81 0.844 . . . . 0.0 110.642 -178.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 54.2 m -77.4 -18.72 57.04 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.919 2.088 . . . . 0.0 113.589 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -140.44 80.45 19.05 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 125.977 1.711 . . . . 0.0 108.806 174.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -45.79 -26.65 3.33 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 124.423 3.415 . . . . 0.0 114.323 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 41.4 m -41.08 -29.35 0.11 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.163 2.185 . . . . 0.0 116.001 164.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 70.3 p -81.12 -25.52 36.88 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 122.938 2.608 . . . . 0.0 113.962 175.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -56.75 -34.86 67.98 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 119.948 1.249 . . . . 0.0 111.72 168.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.96 -19.76 64.59 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 175.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.19 0.74 3.41 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.034 -1.041 . . . . 0.0 113.728 171.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 2.7 t80 59.96 60.22 4.22 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 125.513 1.525 . . . . 0.0 112.402 171.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -59.24 136.87 75.32 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 124.023 3.149 . . . . 0.0 113.198 -167.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -78.12 14.04 1.28 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.782 1.233 . . . . 0.0 113.741 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -139.54 151.78 46.39 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.855 1.662 . . . . 0.0 111.45 -173.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -83.01 146.85 28.52 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.35 0.66 . . . . 0.0 111.39 169.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.71 28.42 1.16 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.142 0.977 . . . . 0.0 113.532 -172.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 19.1 p -62.76 -56.73 14.93 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.263 1.025 . . . . 0.0 112.67 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -163.87 141.06 7.02 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.404 1.882 . . . . 0.0 110.85 172.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.76 25.69 59.24 Favored Glycine 0 CA--C 1.54 1.641 0 N-CA-C 116.445 1.338 . . . . 0.0 116.445 168.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -55.93 133.53 51.56 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.128 1.371 . . . . 0.0 114.338 -170.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.52 -27.2 65.96 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.266 1.426 . . . . 0.0 113.473 172.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -84.58 -40.75 17.16 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.386 0.674 . . . . 0.0 111.467 176.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.81 -41.18 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 121.5 -0.75 . . . . 0.0 112.113 178.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -61.39 -40.28 93.78 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 119.836 1.198 . . . . 0.0 113.041 174.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.45 -52.36 31.27 Favored Glycine 0 N--CA 1.472 1.077 0 C-N-CA 124.237 0.922 . . . . 0.0 112.284 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -40.81 74.4 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.952 0.901 . . . . 0.0 112.046 173.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.61 -49.47 69.66 Favored Glycine 0 C--N 1.339 0.71 0 C-N-CA 124.093 0.854 . . . . 0.0 113.337 172.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -55.38 -41.66 72.95 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.543 1.172 . . . . 0.0 112.333 171.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -61.62 -50.75 71.3 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 119.339 0.972 . . . . 0.0 112.115 175.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 95.7 t -57.66 -42.47 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 119.296 0.953 . . . . 0.0 110.889 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.04 85.07 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -61.12 -38.47 86.46 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.495 1.043 . . . . 0.0 111.957 175.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.01 99.9 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.798 -0.564 . . . . 0.0 112.35 172.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.44 -45.15 92.39 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.718 -0.658 . . . . 0.0 111.306 170.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 92.0 m -56.2 -45.5 79.81 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.688 1.131 . . . . 0.0 111.742 172.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -27.92 67.55 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 120.308 1.413 . . . . 0.0 112.896 176.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.86 -45.81 70.1 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.251 0.932 . . . . 0.0 111.475 169.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.65 -46.83 92.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 CA-C-N 119.775 1.17 . . . . 0.0 111.504 174.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.95 -26.09 67.99 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.82 1.248 . . . . 0.0 113.908 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -130.68 32.64 4.35 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.81 1.244 . . . . 0.0 111.031 -175.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 10.5 p -60.58 -21.08 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 -164.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.33 6.45 26.48 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 119.729 1.15 . . . . 0.0 113.386 170.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -141.2 29.18 1.83 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 128.021 2.528 . . . . 0.0 110.906 -164.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 18.4 ptt? -112.64 40.14 0.21 Allowed Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 125.181 1.392 . . . . 0.0 114.559 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -64.83 -28.97 58.98 Favored 'Trans proline' 0 C--N 1.355 0.888 0 CA-C-N 122.908 2.074 . . . . 0.0 113.287 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -130.2 -0.43 4.6 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.659 1.184 . . . . 0.0 114.06 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.77 -16.15 63.71 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 120.194 -1.566 . . . . 0.0 114.431 -174.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 32.2 mt -104.15 13.69 31.89 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.933 1.293 . . . . 0.0 111.919 169.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 24.1 t -57.92 -42.07 84.04 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.837 1.199 . . . . 0.0 112.328 -172.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.17 -27.14 43.6 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 172.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 mt -87.73 -38.51 15.73 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.33 1.052 . . . . 0.0 110.689 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 22.4 p -64.63 -33.69 76.53 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 168.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -62.08 -48.21 81.24 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.845 1.258 . . . . 0.0 110.664 170.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 14.7 tp -53.14 -44.39 67.7 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 121.371 -0.83 . . . . 0.0 112.147 169.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -76.98 18.19 0.38 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 125.842 1.657 . . . . 0.0 114.165 175.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.7 -46.3 0.16 Allowed 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -58.94 -35.28 72.87 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.611 1.164 . . . . 0.0 111.589 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -144.78 -172.31 3.8 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 128.621 2.768 . . . . 0.0 109.084 176.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 82.3 mt 27.59 73.08 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.994 2.118 . . . . 0.0 114.223 167.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -38.46 -54.81 1.46 Allowed 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.199 1.4 . . . . 0.0 112.585 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 98.5 t 48.14 71.79 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 122.784 1.278 . . . . 0.0 111.143 176.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -58.82 147.22 73.07 Favored Pre-proline 0 CA--C 1.546 0.803 0 O-C-N 120.74 -1.225 . . . . 0.0 112.237 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.79 -24.3 30.19 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 123.575 2.85 . . . . 0.0 115.125 -168.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 18.5 t -40.0 -52.03 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.941 1.296 . . . . 0.0 111.961 165.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -57.2 -40.18 76.9 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -40.09 78.49 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 119.212 -0.423 . . . . 0.0 111.056 178.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -61.15 -42.08 97.91 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.483 0.583 . . . . 0.0 109.995 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.27 -55.49 34.22 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.164 0.985 . . . . 0.0 109.347 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -34.0 72.4 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.772 0.429 . . . . 0.0 112.085 176.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 73.9 m -68.9 -39.02 79.95 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.587 1.085 . . . . 0.0 113.358 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -59.56 -44.46 93.26 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.204 -0.935 . . . . 0.0 110.346 167.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 68.4 m -62.56 -33.49 75.04 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 174.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 41.8 mt -68.65 -48.4 64.12 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.655 1.116 . . . . 0.0 111.735 171.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 41.7 mt -53.77 -41.25 66.97 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.465 -0.772 . . . . 0.0 110.191 174.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 24.6 t -58.8 -48.58 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.971 0.909 . . . . 0.0 112.917 172.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 2.3 p -67.48 -34.85 78.01 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 120.144 1.338 . . . . 0.0 112.647 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.6 -48.3 82.37 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.555 0.616 . . . . 0.0 110.188 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.79 -33.09 68.18 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.64 -6.48 11.36 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -139.19 -44.84 0.46 Allowed 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -174.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 6.8 mp -78.14 141.99 63.27 Favored Pre-proline 0 CA--C 1.559 1.309 0 CA-C-O 116.697 -1.62 . . . . 0.0 107.874 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -54.22 -122.25 0.0 OUTLIER 'Trans proline' 0 CA--C 1.555 1.53 1 C-N-CA 126.59 4.86 . . . . 0.0 117.342 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.63 54.19 0.06 Allowed 'General case' 0 CA--C 1.544 0.748 0 O-C-N 118.944 -2.348 . . . . 0.0 110.433 160.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.67 -19.26 10.09 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.948 1.299 . . . . 0.0 112.739 -177.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.97 37.3 1.32 Allowed 'General case' 0 N--CA 1.432 -1.362 0 C-N-CA 126.537 1.935 . . . . 0.0 113.29 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 1.1 p -53.21 159.89 1.9 Allowed Pre-proline 0 N--CA 1.477 0.906 0 O-C-N 121.08 -1.013 . . . . 0.0 110.21 169.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -47.3 -44.82 23.66 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.21 1.94 . . . . 0.0 115.13 169.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.34 -54.13 37.81 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.407 0.549 . . . . 0.0 110.889 174.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 14.0 t -77.0 -33.98 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 O-C-N 121.494 -0.754 . . . . 0.0 112.939 -168.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -73.53 -48.88 29.67 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.999 1.319 . . . . 0.0 112.336 175.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.04 -48.7 77.89 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 118.744 0.702 . . . . 0.0 109.798 173.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 15.6 t -52.69 -61.96 1.95 Allowed 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.013 0.925 . . . . 0.0 112.738 173.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 58.6 mt -60.69 -42.95 98.19 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.976 1.262 . . . . 0.0 112.039 -175.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.84 -43.17 93.92 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.832 1.196 . . . . 0.0 112.267 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.31 -30.11 61.92 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.237 -0.914 . . . . 0.0 113.122 177.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -61.6 -58.75 6.86 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 124.643 1.177 . . . . 0.0 110.067 169.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.26 -43.07 70.63 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.482 0.713 . . . . 0.0 110.619 175.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.25 -42.5 73.58 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 120.084 1.311 . . . . 0.0 112.738 173.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 11.2 m -71.03 -31.63 68.16 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 171.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 87.1 t -55.49 -50.03 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 CA-C-N 120.087 1.312 . . . . 0.0 108.835 167.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 33.5 t -58.77 -48.72 80.24 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 123.975 0.91 . . . . 0.0 113.39 174.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 96.1 m -51.42 -46.0 62.79 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.018 0.827 . . . . 0.0 110.7 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 81.1 t -68.11 -41.64 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 O-C-N 121.425 -0.797 . . . . 0.0 112.255 174.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -5.87 3.23 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.448 -1.408 . . . . 0.0 113.049 171.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 61.8 m -116.68 -21.0 9.3 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.093 2.157 . . . . 0.0 111.939 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 52.0 m -148.2 131.68 16.7 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.183 1.393 . . . . 0.0 111.963 -172.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.43 -131.0 0.31 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 126.001 1.72 . . . . 0.0 110.742 -175.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -52.08 -27.89 15.53 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 174.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? . . . . . 0 C--O 1.252 1.207 0 C-N-CA 127.395 2.278 . . . . 0.0 109.442 166.535 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.296 2.5 p . . . . . 0 N--CA 1.517 2.884 0 CA-C-O 117.535 -1.221 . . . . 0.0 113.234 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 9.2 75.13 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 129.212 3.005 . . . . 0.0 116.257 -172.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.06 154.4 34.51 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.769 -0.582 . . . . 0.0 111.877 -170.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.6 145.76 97.14 Favored Pre-proline 0 N--CA 1.482 1.136 0 CA-C-O 118.086 -0.959 . . . . 0.0 109.653 168.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -52.04 -39.65 69.52 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 123.435 2.757 . . . . 0.0 116.005 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.7 -41.4 79.2 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.006 0.821 . . . . 0.0 111.862 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -67.41 -42.85 82.59 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.122 0.569 . . . . 0.0 111.1 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -54.33 -53.38 54.66 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.293 1.037 . . . . 0.0 110.823 168.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 30.1 t -54.14 -45.82 72.07 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.369 0.531 . . . . 0.0 111.276 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.1 -53.47 58.02 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 175.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.62 -49.0 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 CA-C-N 119.906 1.23 . . . . 0.0 111.862 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -71.47 -34.76 70.48 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.792 1.178 . . . . 0.0 112.341 -173.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.48 -38.98 85.21 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 120.014 1.279 . . . . 0.0 112.202 172.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.37 -26.79 61.15 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.573 -0.704 . . . . 0.0 111.276 176.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 9.6 t90 -63.42 -43.6 97.03 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.088 -1.008 . . . . 0.0 111.958 162.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.23 -31.92 42.73 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.699 1.618 . . . . 0.0 115.343 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -96.4 -9.52 29.72 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.482 1.113 . . . . 0.0 113.981 174.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.512 HG22 HG12 ' D' ' 23' ' ' VAL . 0.4 OUTLIER -65.01 142.3 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.178 0.991 . . . . 0.0 112.012 -171.689 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -91.02 76.33 6.21 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.344 1.058 . . . . 0.0 109.8 -175.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 85.8 t -47.82 -40.02 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -163.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.6 -49.09 61.97 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.686 1.13 . . . . 0.0 112.639 173.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -74.99 -51.33 13.91 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.507 0.723 . . . . 0.0 111.098 -173.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . 0.512 HG12 HG22 ' D' ' 18' ' ' VAL . 0.5 OUTLIER -64.63 -31.17 52.58 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 C-N-CA 124.629 1.172 . . . . 0.0 111.62 176.206 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.08 -42.92 34.98 Favored Glycine 0 C--N 1.341 0.835 0 CA-C-N 118.849 0.75 . . . . 0.0 111.632 176.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.43 -44.49 96.68 Favored Glycine 0 N--CA 1.464 0.551 0 CA-C-N 117.892 0.846 . . . . 0.0 112.738 172.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.5 -48.96 79.5 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 117.656 0.728 . . . . 0.0 111.231 170.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.71 -55.81 30.35 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.834 1.652 . . . . 0.0 112.549 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 57.1 tp -67.22 -39.86 86.31 Favored 'General case' 0 C--O 1.224 -0.258 0 O-C-N 121.349 -0.844 . . . . 0.0 111.685 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.75 -50.32 68.97 Favored Glycine 0 C--N 1.334 0.44 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 173.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' ARG . . . . . 0.576 ' HA ' HG22 ' D' ' 33' ' ' VAL . 16.9 mtp85 -52.42 -36.66 54.84 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.057 1.343 . . . . 0.0 113.814 175.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 18.1 tp -52.0 -42.05 62.68 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.067 1.303 . . . . 0.0 109.854 174.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -88.51 -28.94 20.47 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.762 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' D' ' 30' ' ' ARG . 4.7 m -56.74 -25.71 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-N 121.288 1.858 . . . . 0.0 113.814 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -2.35 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 119.274 0.943 . . . . 0.0 113.239 175.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 t80 54.63 35.68 0.3 Allowed Pre-proline 0 CA--C 1.562 1.421 0 C-N-CA 126.294 1.837 . . . . 0.0 115.051 -170.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -78.69 172.89 14.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 122.895 2.396 . . . . 0.0 111.99 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 8.4 p90 -56.47 -30.14 62.57 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 172.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.91 -23.78 61.57 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 120.916 -1.115 . . . . 0.0 113.418 171.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -58.18 -26.64 63.02 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.452 1.023 . . . . 0.0 112.781 171.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -64.43 -13.71 52.85 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.817 -1.177 . . . . 0.0 114.152 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.59 15.2 18.64 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 119.345 0.975 . . . . 0.0 113.404 172.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -53.47 -28.05 28.43 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -47.83 -37.46 13.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.721 1.208 . . . . 0.0 113.786 177.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 19.4 m -65.37 -21.82 66.73 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -109.82 -8.88 14.84 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.866 1.666 . . . . 0.0 112.14 175.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.17 -160.84 7.1 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.468 1.032 . . . . 0.0 113.721 -171.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 39.08 -122.71 0.32 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.393 1.877 . . . . 0.0 112.809 -176.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 8.8 tt 58.76 -10.57 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.917 2.087 . . . . 0.0 116.585 -177.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 11.7 m -51.23 -19.52 1.25 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 61.6 p -134.2 158.94 74.15 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 125.6 1.56 . . . . 0.0 111.237 166.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -56.01 -42.52 65.86 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 123.677 2.918 . . . . 0.0 114.729 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.06 -36.79 85.17 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.074 0.549 . . . . 0.0 111.652 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.54 93.42 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -176.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.84 -32.11 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 120.861 1.664 . . . . 0.0 113.387 -175.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 16.3 ptp -92.33 -18.09 23.82 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.24 -31.46 16.78 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 123.919 0.771 . . . . 0.0 114.546 171.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -59.34 125.37 78.86 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 125.235 1.414 . . . . 0.0 113.243 -173.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -64.58 -30.31 60.96 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.755 2.303 . . . . 0.0 113.884 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -68.94 -36.55 78.09 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.449 1.022 . . . . 0.0 112.808 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 76.4 t -65.03 -40.17 88.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.736 1.215 . . . . 0.0 111.143 166.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -62.26 -45.81 91.63 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 120.198 1.363 . . . . 0.0 112.052 173.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.01 -50.17 71.76 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.888 1.275 . . . . 0.0 113.42 176.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -62.05 -36.92 83.07 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.908 -1.12 . . . . 0.0 112.031 172.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.65 -48.77 64.11 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.814 1.197 . . . . 0.0 112.396 169.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -54.87 -43.35 73.06 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.752 1.621 . . . . 0.0 111.756 172.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -66.47 -55.5 15.35 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.38 1.072 . . . . 0.0 113.457 174.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 4.3 m -60.18 -39.97 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 120.855 1.661 . . . . 0.0 112.03 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.7 tt -69.68 -40.0 76.65 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.453 -0.779 . . . . 0.0 111.109 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.88 -36.24 86.51 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.932 1.253 . . . . 0.0 113.821 173.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.81 -49.78 67.02 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.427 1.113 . . . . 0.0 111.828 168.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -54.71 -40.65 69.41 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 174.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 85.3 p -71.07 -34.68 71.42 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.761 -1.212 . . . . 0.0 113.423 173.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.89 -28.47 64.24 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.331 0.968 . . . . 0.0 112.151 166.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.85 -64.06 4.7 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 124.13 0.872 . . . . 0.0 111.844 164.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.34 -34.46 33.87 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 118.667 1.234 . . . . 0.0 113.581 177.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.04 -18.44 58.11 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.22 39.41 1.0 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.289 1.435 . . . . 0.0 112.986 -170.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 70.7 mt -57.24 -21.58 35.1 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.677 -1.264 . . . . 0.0 114.138 -178.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -65.6 -11.43 44.28 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.241 2.216 . . . . 0.0 115.667 174.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -113.99 -60.29 1.9 Allowed 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.793 1.179 . . . . 0.0 113.837 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 53.25 9.27 0.14 Allowed 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -133.37 -61.34 0.82 Allowed 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 120.221 1.373 . . . . 0.0 111.883 171.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.25 -40.09 83.62 Favored Glycine 0 N--CA 1.479 1.561 0 CA-C-N 119.019 0.827 . . . . 0.0 114.526 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.4 t -66.26 -15.17 62.98 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 175.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -122.85 -0.96 8.96 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.686 1.594 . . . . 0.0 114.687 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.02 -33.17 71.64 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 120.75 1.614 . . . . 0.0 114.468 -171.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 19.1 p -64.65 -41.21 96.28 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.194 -0.941 . . . . 0.0 111.88 170.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.4 -39.32 65.16 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-O 118.216 -0.897 . . . . 0.0 112.096 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -64.64 -38.38 90.8 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 120.304 1.411 . . . . 0.0 111.596 175.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -65.24 -45.03 86.29 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.777 -0.577 . . . . 0.0 112.062 172.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 51.7 tp -55.4 -56.32 21.5 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.237 -0.914 . . . . 0.0 111.009 171.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -77.26 30.13 0.14 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.108 1.763 . . . . 0.0 113.505 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 3.8 t -149.82 -80.78 0.12 Allowed 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 123.897 0.879 . . . . 0.0 108.877 169.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.71 -17.32 47.51 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.825 2.05 . . . . 0.0 115.73 -174.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -112.85 -35.67 5.39 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.206 1.403 . . . . 0.0 112.171 171.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 13.2 mt -133.5 85.08 2.18 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.049 2.14 . . . . 0.0 108.101 -174.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.73 -33.19 60.79 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -173.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 59.8 t 19.54 96.17 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 128.999 2.919 . . . . 0.0 115.078 160.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -54.97 132.65 67.62 Favored Pre-proline 0 CA--C 1.551 0.985 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -176.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 100' ' ' PRO . . . . . 0.409 ' HA ' ' CD2' ' D' ' 103' ' ' PHE . 84.8 Cg_exo -53.1 -19.81 12.66 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 124.475 3.45 . . . . 0.0 118.093 -178.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -52.7 -33.53 48.02 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.821 1.191 . . . . 0.0 112.046 166.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.78 -38.66 88.87 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.01 -1.056 . . . . 0.0 112.086 173.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 103' ' ' PHE . . . . . 0.409 ' CD2' ' HA ' ' D' ' 100' ' ' PRO . 3.6 m-30 -68.49 -42.68 78.27 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.793 0.837 . . . . 0.0 110.551 176.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -57.7 -49.67 75.75 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.779 172.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 84.5 mt -57.85 -51.02 71.34 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 118.36 -0.829 . . . . 0.0 112.142 175.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 tt -55.61 -36.04 66.52 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.193 1.36 . . . . 0.0 110.84 173.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 107' ' ' GLY . . . . . 0.478 ' CA ' HG13 ' D' ' 134' ' ' VAL . . . -67.2 -54.15 22.17 Favored Glycine 0 CA--C 1.519 0.294 0 O-C-N 120.998 -1.064 . . . . 0.0 114.984 176.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -55.59 -35.16 65.51 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.478 1.139 . . . . 0.0 110.279 171.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 30.5 t -65.51 -41.36 90.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-O 117.818 -1.087 . . . . 0.0 113.077 173.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.77 -53.34 59.52 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 121.303 1.865 . . . . 0.0 111.137 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 1.3 m -55.5 -37.71 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-O 121.1 0.476 . . . . 0.0 112.252 -171.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 49.6 t -77.01 -27.59 54.71 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -172.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 p -68.82 -39.1 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 120.018 -1.677 . . . . 0.0 110.723 170.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.2 -36.79 80.85 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.58 0.627 . . . . 0.0 110.761 171.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.99 -26.78 66.32 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 170.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -75.28 -61.69 1.81 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 120.594 1.543 . . . . 0.0 111.845 167.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -63.6 -24.1 67.66 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -169.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -132.29 23.99 4.47 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.403 1.481 . . . . 0.0 112.107 -174.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -46.16 -40.97 10.8 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 125.843 1.687 . . . . 0.0 116.037 -173.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -63.54 -21.93 66.61 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -105.62 -2.46 23.42 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.342 1.857 . . . . 0.0 112.72 174.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -86.55 58.26 4.96 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 120.855 -1.153 . . . . 0.0 113.055 -169.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 123' ' ' THR . . . . . 0.538 ' HG1' ' H ' ' D' ' 126' ' ' VAL . 32.6 p -53.25 158.05 2.87 Favored Pre-proline 0 N--CA 1.48 1.05 0 C-N-CA 126.127 1.771 . . . . 0.0 113.74 -174.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -47.72 -49.92 12.59 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.465 2.11 . . . . 0.0 115.22 170.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.11 -27.46 41.9 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.331 1.354 . . . . 0.0 114.33 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 126' ' ' VAL . . . . . 0.538 ' H ' ' HG1' ' D' ' 123' ' ' THR . 0.3 OUTLIER -65.43 -40.36 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 122.099 2.227 . . . . 0.0 111.777 176.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -60.3 -42.1 94.8 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.562 -0.711 . . . . 0.0 111.139 176.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.7 -31.98 72.98 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 173.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.27 -51.58 56.0 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.432 -0.793 . . . . 0.0 110.239 174.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -52.3 -48.59 65.27 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.446 0.566 . . . . 0.0 111.262 169.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 15.1 tm0? -54.67 -46.26 74.01 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 118.206 -0.902 . . . . 0.0 112.654 174.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -63.57 -41.72 98.36 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.733 1.606 . . . . 0.0 113.152 -176.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 1.6 p -73.76 -38.75 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 119.252 0.933 . . . . 0.0 112.239 174.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 134' ' ' VAL . . . . . 0.478 HG13 ' CA ' ' D' ' 107' ' ' GLY . 87.4 t -72.12 -34.83 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 118.781 0.719 . . . . 0.0 112.568 -178.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.48 -40.07 93.21 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.972 -1.08 . . . . 0.0 111.516 167.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -53.12 -52.9 37.1 Favored Glycine 0 N--CA 1.47 0.944 0 CA-C-O 119.628 -0.54 . . . . 0.0 112.385 166.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.05 -42.85 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 118.294 1.047 . . . . 0.0 112.402 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.98 -47.7 83.64 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.75 0.705 . . . . 0.0 111.722 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -31.95 73.35 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.722 -0.611 . . . . 0.0 112.17 175.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.07 -48.82 64.51 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.875 0.87 . . . . 0.0 111.387 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.08 -34.44 74.93 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.511 -0.743 . . . . 0.0 111.597 173.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.39 -4.15 24.69 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 172.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -57.72 -43.13 85.06 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 121.337 1.881 . . . . 0.0 113.204 -176.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -73.99 2.12 9.4 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.786 1.234 . . . . 0.0 113.617 174.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.4 -28.58 6.81 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 127.94 2.496 . . . . 0.0 111.819 -176.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 34.3 m-70 . . . . . 0 C--O 1.255 1.391 0 C-N-CA 128.768 2.827 . . . . 0.0 115.717 -174.814 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 24.7 m . . . . . 0 N--CA 1.509 2.511 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 36.8 mt -144.88 -171.51 3.65 Favored 'General case' 0 CA--C 1.556 1.193 0 O-C-N 120.243 -1.536 . . . . 0.0 111.873 -172.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.51 154.71 77.48 Favored Pre-proline 0 N--CA 1.489 1.507 0 C-N-CA 125.687 1.595 . . . . 0.0 111.745 -168.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -76.48 -51.54 0.1 OUTLIER 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.263 1.975 . . . . 0.0 114.609 -167.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.75 -37.55 84.86 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.358 -0.838 . . . . 0.0 112.232 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.43 -40.8 92.38 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.536 0.734 . . . . 0.0 111.848 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -56.24 -46.12 79.72 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 118.052 -0.975 . . . . 0.0 111.798 170.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.5 m -56.36 -42.53 77.94 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.046 1.294 . . . . 0.0 112.13 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -66.55 -35.91 81.38 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.923 -1.11 . . . . 0.0 112.62 174.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.5 t -61.63 -43.37 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-N 119.192 0.906 . . . . 0.0 111.156 169.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.23 -45.98 91.35 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.317 0.962 . . . . 0.0 111.063 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.87 -50.29 74.58 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.164 0.585 . . . . 0.0 111.151 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.05 -57.86 10.98 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.499 0.719 . . . . 0.0 112.299 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -66.38 -24.08 66.43 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.414 -0.804 . . . . 0.0 113.036 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.85 -50.53 64.87 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.673 1.13 . . . . 0.0 113.391 170.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -26.24 63.31 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 118.642 1.221 . . . . 0.0 112.508 175.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.06 -20.16 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.538 1.135 . . . . 0.0 113.234 172.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.43 141.2 4.65 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 124.813 1.197 . . . . 0.0 114.535 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 61.0 -35.21 0.09 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 128.346 2.658 . . . . 0.0 116.464 -169.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -77.57 -14.1 59.74 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.737 1.215 . . . . 0.0 113.551 173.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.28 -48.09 62.33 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.193 1.397 . . . . 0.0 114.438 -166.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.1 -35.37 92.0 Favored Glycine 0 N--CA 1.47 0.963 0 O-C-N 121.71 -0.619 . . . . 0.0 113.479 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -64.54 -44.85 89.5 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.903 0.881 . . . . 0.0 110.498 173.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -66.33 -35.4 80.26 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.34 -49.16 76.88 Favored Glycine 0 CA--C 1.533 1.207 0 CA-C-N 118.935 0.789 . . . . 0.0 112.264 170.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.86 91.2 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 117.765 0.783 . . . . 0.0 112.001 175.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.85 -40.57 95.37 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 121.252 -0.905 . . . . 0.0 113.122 173.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.08 89.36 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 120.677 1.58 . . . . 0.0 112.202 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.29 -50.6 67.25 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.223 1.009 . . . . 0.0 111.471 171.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.44 -43.47 96.79 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.459 -0.776 . . . . 0.0 111.784 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -60.47 -40.52 91.52 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.501 1.52 . . . . 0.0 111.652 173.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -61.45 -51.43 68.76 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.464 1.029 . . . . 0.0 111.884 171.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -63.16 -41.28 99.22 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.5 -32.69 62.61 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.83 0.741 . . . . 0.0 112.758 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.6 m -78.0 -18.6 55.73 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -146.81 69.17 12.04 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 123.645 0.778 . . . . 0.0 110.56 -170.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -62.08 -13.72 33.33 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.484 2.789 . . . . 0.0 115.464 -165.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.3 p -53.93 -25.71 21.79 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.474 1.51 . . . . 0.0 114.376 163.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.8 p -74.2 -35.49 63.95 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.144 1.338 . . . . 0.0 113.083 175.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -55.98 -34.7 65.98 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -178.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -55.62 -26.93 46.76 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.484 ' CZ ' HG23 ' A' ' 93' ' ' VAL . 0.6 OUTLIER -63.29 -22.05 66.63 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.782 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 30.54 59.06 0.96 Allowed Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 126.975 2.11 . . . . 0.0 113.38 -177.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -46.7 -57.05 2.49 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 124.121 3.214 . . . . 0.0 114.913 -161.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -161.15 17.67 0.11 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.631 1.572 . . . . 0.0 112.652 161.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.48 -176.8 4.52 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.129 1.372 . . . . 0.0 113.357 -162.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -130.84 143.99 51.13 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.423 1.489 . . . . 0.0 109.157 175.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.72 27.88 4.61 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.665 1.586 . . . . 0.0 112.906 -164.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 97.9 p -57.41 167.78 0.92 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.068 1.347 . . . . 0.0 113.689 170.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -57.85 114.5 2.34 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.066 -1.021 . . . . 0.0 111.028 174.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.88 5.48 62.68 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-O 118.754 -1.025 . . . . 0.0 115.488 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.6 116.25 3.57 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.518 1.659 . . . . 0.0 113.726 -173.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.5 -33.64 63.91 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.252 1.021 . . . . 0.0 113.163 177.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -62.56 -38.51 90.36 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.754 0.822 . . . . 0.0 112.04 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.5 t -69.12 -36.02 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 O-C-N 121.434 -0.791 . . . . 0.0 111.386 173.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -63.96 -45.68 88.07 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.537 1.062 . . . . 0.0 111.55 175.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.14 -51.78 56.77 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 124.164 0.888 . . . . 0.0 112.287 174.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -55.89 -43.98 77.73 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.934 0.893 . . . . 0.0 111.92 173.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.12 -48.95 79.82 Favored Glycine 0 CA--C 1.528 0.861 0 O-C-N 121.039 -1.038 . . . . 0.0 113.68 174.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -55.78 -43.48 76.82 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.025 0.93 . . . . 0.0 112.405 171.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.12 -50.29 68.85 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 118.35 -0.834 . . . . 0.0 112.869 175.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 69.0 t -56.09 -43.51 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 CA-C-N 120.302 1.41 . . . . 0.0 111.5 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.64 74.31 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -59.87 -36.02 76.04 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.45 -0.781 . . . . 0.0 112.299 176.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.32 -38.79 92.52 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.405 -0.81 . . . . 0.0 112.742 171.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mt -65.74 -41.21 92.47 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.695 -0.669 . . . . 0.0 111.914 170.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 45.5 m -58.94 -45.8 89.53 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.983 1.265 . . . . 0.0 111.708 171.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -61.54 -39.95 92.9 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.583 1.953 . . . . 0.0 112.446 175.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.08 -58.12 10.05 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.778 0.717 . . . . 0.0 110.371 167.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.8 t -52.53 -41.02 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 125.082 1.353 . . . . 0.0 112.908 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.55 -23.06 65.38 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.32 1.448 . . . . 0.0 114.63 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -135.77 24.14 3.37 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.296 1.438 . . . . 0.0 112.249 -171.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.86 -23.1 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -154.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.92 -5.99 40.17 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 120.094 1.315 . . . . 0.0 114.415 172.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -119.81 3.25 11.09 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.654 2.382 . . . . 0.0 112.453 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -61.81 -17.73 0.42 Allowed Pre-proline 0 CA--C 1.546 0.795 0 N-CA-C 117.862 2.542 . . . . 0.0 117.862 -178.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.53 ' HA ' HG12 ' A' ' 135' ' ' VAL . 85.7 Cg_exo -45.92 -42.87 20.21 Favored 'Trans proline' 0 C--N 1.361 1.223 0 CA-C-N 123.936 2.441 . . . . 0.0 114.222 168.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -75.82 -50.62 14.64 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.328 0.651 . . . . 0.0 110.803 173.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.52 -16.13 63.77 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -170.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.42 HD11 HG13 ' A' ' 135' ' ' VAL . 84.0 mt -101.6 5.64 41.73 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.164 1.386 . . . . 0.0 112.984 173.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.7 t -57.61 -37.9 74.04 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 120.848 -1.157 . . . . 0.0 113.614 -177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.9 -25.8 61.32 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.717 1.144 . . . . 0.0 113.434 174.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 mt -89.14 -34.06 16.84 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.687 1.195 . . . . 0.0 110.677 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.2 t -57.98 -46.07 85.75 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 117.941 -1.028 . . . . 0.0 111.127 162.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -54.97 -51.22 66.86 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.439 1.472 . . . . 0.0 112.588 172.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.26 -53.46 28.25 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.511 0.725 . . . . 0.0 111.148 171.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -18.65 61.22 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -178.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.03 -11.9 12.67 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 121.176 1.807 . . . . 0.0 114.309 -170.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.26 -5.01 2.67 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.373 1.469 . . . . 0.0 113.981 178.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -130.1 -42.34 1.23 Allowed 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 115.316 1.598 . . . . 0.0 115.316 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.48 -54.8 2.59 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 23.0 mtm105 46.34 48.96 13.32 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 126.294 1.837 . . . . 0.0 114.547 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.484 HG23 ' CZ ' ' A' ' 42' ' ' TYR . 87.2 t -86.11 139.18 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.749 0.82 . . . . 0.0 111.187 177.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -41.66 128.24 2.41 Favored Pre-proline 0 CA--C 1.555 1.138 0 C-N-CA 127.658 2.383 . . . . 0.0 113.906 168.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -50.51 -15.66 1.69 Allowed 'Trans proline' 0 C--N 1.357 0.98 1 C-N-CA 125.306 4.004 . . . . 0.0 117.698 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.8 p -48.42 -36.07 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 120.827 -1.171 . . . . 0.0 112.327 169.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -65.94 -38.48 88.73 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.552 -0.737 . . . . 0.0 112.628 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -50.65 72.15 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.243 0.928 . . . . 0.0 110.156 172.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -54.58 -48.68 71.81 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.9 0.88 . . . . 0.0 110.479 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.94 -56.98 14.68 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.624 0.769 . . . . 0.0 112.352 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -41.42 87.34 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.912 0.778 . . . . 0.0 111.906 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.7 m -68.62 -43.42 76.4 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.248 0.931 . . . . 0.0 112.904 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -46.4 90.35 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.731 -0.606 . . . . 0.0 110.78 172.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 94.1 m -62.68 -39.42 93.9 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 117.958 -1.02 . . . . 0.0 111.821 176.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.8 mt -56.53 -55.94 27.5 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 120.468 1.485 . . . . 0.0 111.405 172.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.2 mt -48.26 -49.4 33.59 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.191 0.905 . . . . 0.0 111.224 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.22 -46.01 97.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 123.697 0.799 . . . . 0.0 112.548 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 87.2 m -64.62 -43.42 93.79 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.429 -0.795 . . . . 0.0 112.401 177.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.6 mt -58.62 -46.81 86.25 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.107 0.867 . . . . 0.0 109.514 176.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.97 -16.71 64.52 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.85 -12.58 50.08 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 119.408 1.004 . . . . 0.0 113.024 169.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -132.15 -14.01 3.07 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.992 1.317 . . . . 0.0 114.528 -175.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.2 mp -104.83 154.96 38.23 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 125.437 1.495 . . . . 0.0 110.807 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -52.87 -37.01 76.67 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 124.121 3.214 . . . . 0.0 115.819 -170.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.47 -33.79 0.1 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.088 0.955 . . . . 0.0 113.202 174.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 63.46 -4.28 0.33 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 116.018 1.858 . . . . 0.0 116.018 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.42 29.31 2.7 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.106 1.362 . . . . 0.0 111.37 -178.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.6 p -54.36 166.27 0.73 Allowed Pre-proline 0 N--CA 1.477 0.921 0 O-C-N 121.266 -0.896 . . . . 0.0 110.452 173.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -49.11 -38.11 39.72 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.105 1.87 . . . . 0.0 115.434 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.15 -53.03 7.07 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.796 0.331 . . . . 0.0 111.198 172.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.9 -34.06 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.075 -1.016 . . . . 0.0 112.172 -168.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -65.17 -51.14 62.94 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.639 1.563 . . . . 0.0 111.847 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.41 86.64 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.433 0.293 . . . . 0.0 110.959 173.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.0 m -58.14 -56.54 20.74 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.1 0.56 . . . . 0.0 111.949 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -75.26 -42.55 54.84 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.993 0.917 . . . . 0.0 112.01 -174.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -60.63 -51.07 70.95 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.814 1.188 . . . . 0.0 111.644 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.291 0.0 OUTLIER -71.08 -28.29 64.23 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 178.768 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -64.59 -50.8 65.78 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.791 1.178 . . . . 0.0 111.424 170.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.38 -36.84 81.38 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.96 0.8 . . . . 0.0 111.399 175.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.92 -54.5 46.27 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 118.514 -0.755 . . . . 0.0 111.172 170.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 69.3 m -60.9 -40.01 91.51 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.193 1.361 . . . . 0.0 114.163 177.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 55.5 t -55.67 -45.38 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-N 119.352 0.978 . . . . 0.0 110.476 171.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 67.9 m -74.2 -37.22 63.96 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 178.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 95.8 m -53.19 -44.97 68.36 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.213 1.37 . . . . 0.0 110.187 167.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' A' ' 77' ' ' PRO . 20.6 t -67.33 -46.05 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 124.438 1.095 . . . . 0.0 112.928 174.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -45.46 93.25 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.743 1.156 . . . . 0.0 112.024 176.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 92.5 m -66.77 -31.48 72.15 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.381 1.473 . . . . 0.0 113.146 176.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 14.4 t -56.52 119.35 5.94 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.95 0.9 . . . . 0.0 111.018 172.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -57.73 -40.41 79.58 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -165.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 42.57 -118.67 0.48 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 125.572 1.549 . . . . 0.0 113.166 -171.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 . . . . . 0 C--O 1.254 1.322 0 C-N-CA 126.103 1.761 . . . . 0.0 113.705 -172.436 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.331 2.5 p . . . . . 0 N--CA 1.514 2.75 0 CA-C-O 117.136 -1.411 . . . . 0.0 113.119 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 20.75 78.96 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 127.834 2.454 . . . . 0.0 116.109 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.26 160.84 17.81 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.014 175.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.534 ' HG1' ' H ' ' B' ' 7' ' ' GLU . 5.5 p -64.97 154.14 87.09 Favored Pre-proline 0 N--CA 1.479 1.0 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.354 164.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.4 -35.68 85.3 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 122.551 2.167 . . . . 0.0 113.993 174.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.12 -43.62 67.25 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.438 0.695 . . . . 0.0 111.831 176.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.534 ' H ' ' HG1' ' B' ' 4' ' ' THR . 35.6 mt-10 -67.36 -38.78 85.32 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.33 -0.857 . . . . 0.0 112.216 175.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -53.39 -49.82 66.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.311 1.444 . . . . 0.0 111.029 168.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.3 t -59.39 -47.27 86.09 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.053 0.388 . . . . 0.0 111.774 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.86 -50.73 67.97 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.065 0.946 . . . . 0.0 113.48 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.34 -57.57 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 118.186 0.448 . . . . 0.0 111.616 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.2 m -70.06 -33.82 72.43 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.124 -0.985 . . . . 0.0 113.174 -168.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.92 -38.37 90.72 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 119.75 1.159 . . . . 0.0 112.416 175.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -31.96 66.37 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.645 -0.66 . . . . 0.0 112.219 174.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -36.71 82.68 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 120.936 -1.103 . . . . 0.0 112.898 166.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.12 -39.42 92.17 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.773 1.178 . . . . 0.0 114.312 174.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -89.91 -13.58 36.03 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.476 HG23 HG13 ' B' ' 23' ' ' VAL . 0.4 OUTLIER -60.92 146.06 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.219 1.007 . . . . 0.0 113.263 -174.115 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -95.26 76.69 3.43 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.8 1.24 . . . . 0.0 109.428 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 95.1 t -47.61 -39.19 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -165.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -63.75 -60.42 3.32 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.898 0.879 . . . . 0.0 112.326 174.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -69.47 -49.69 52.51 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.53 0.732 . . . . 0.0 111.324 -174.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.476 HG13 HG23 ' B' ' 18' ' ' VAL . 0.5 OUTLIER -65.99 -27.94 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.498 1.119 . . . . 0.0 112.235 179.073 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.95 -42.53 8.8 Favored Glycine 0 N--CA 1.468 0.801 0 CA-C-N 119.308 0.958 . . . . 0.0 112.195 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.02 -41.62 92.54 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-N 118.1 0.95 . . . . 0.0 111.765 167.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -62.56 -55.57 26.04 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 118.107 0.953 . . . . 0.0 112.52 168.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.97 -42.37 65.47 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 121.228 1.831 . . . . 0.0 113.403 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.535 HD21 ' HD1' ' B' ' 63' ' ' HIS . 27.5 tp -77.95 -54.62 6.09 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.762 0.825 . . . . 0.0 112.005 176.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.62 -45.25 96.21 Favored Glycine 0 N--CA 1.469 0.898 0 O-C-N 120.414 -1.429 . . . . 0.0 112.635 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.482 ' HA ' HG23 ' B' ' 33' ' ' VAL . 1.9 mmt180 -70.9 -10.18 59.15 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.763 1.225 . . . . 0.0 112.917 175.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -77.61 -44.36 28.57 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 120.122 1.328 . . . . 0.0 109.819 161.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.8 -25.52 67.95 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.462 -1.399 . . . . 0.0 113.299 175.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.482 HG23 ' HA ' ' B' ' 30' ' ' ARG . 5.1 m -75.27 -17.07 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 CA-C-N 120.535 1.516 . . . . 0.0 115.073 176.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.71 3.07 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-N 121.508 1.958 . . . . 0.0 113.685 -177.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 48.74 42.55 1.28 Allowed Pre-proline 0 CA--C 1.563 1.452 0 C-N-CA 125.817 1.647 . . . . 0.0 115.301 -163.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -75.72 168.17 24.85 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 123.666 2.911 . . . . 0.0 113.971 -173.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -24.57 65.61 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 170.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 25.4 p -60.84 -24.06 65.6 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 120.446 -1.409 . . . . 0.0 113.664 171.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -61.52 -8.95 4.83 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.913 -1.117 . . . . 0.0 113.512 -178.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -53.4 -33.37 53.55 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 118.967 -2.333 . . . . 0.0 113.559 170.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -88.31 9.08 24.45 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -49.77 -28.97 6.93 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 175.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -55.31 -14.06 1.65 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.17 1.788 . . . . 0.0 115.181 171.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 50.4 m -108.07 16.02 23.74 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.913 2.085 . . . . 0.0 113.486 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -117.62 4.77 12.35 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.743 1.217 . . . . 0.0 113.666 -178.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.95 -35.5 2.12 Favored Glycine 0 CA--C 1.533 1.216 0 N-CA-C 117.055 1.582 . . . . 0.0 117.055 162.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -141.39 -91.0 0.15 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.391 1.595 . . . . 0.0 111.785 -176.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 44.0 1.07 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 120.177 3.399 . . . . 0.0 120.177 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -59.91 -21.48 61.15 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 120.279 1.399 . . . . 0.0 114.298 -167.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 64.2 p -124.27 157.42 64.56 Favored Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 125.346 1.458 . . . . 0.0 110.598 164.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -55.76 -40.59 84.34 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.787 2.325 . . . . 0.0 114.715 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.85 -39.59 92.38 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.638 -0.664 . . . . 0.0 112.032 175.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.52 99.3 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.82 -26.0 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 119.719 1.145 . . . . 0.0 113.356 178.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -36.71 45.2 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.213 0.915 . . . . 0.0 112.925 174.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.28 -27.63 19.97 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 115.17 0.828 . . . . 0.0 115.17 -173.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.3 133.46 84.81 Favored Pre-proline 0 CA--C 1.555 1.149 0 CA-C-N 118.312 1.056 . . . . 0.0 113.613 -174.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.18 -32.74 16.26 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.766 2.31 . . . . 0.0 114.004 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -59.56 -45.86 90.58 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 120.481 1.492 . . . . 0.0 110.966 173.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 60.2 t -61.21 -37.09 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 CA-C-N 119.299 0.954 . . . . 0.0 112.773 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -68.77 -49.77 55.94 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 120.095 1.316 . . . . 0.0 112.795 174.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.66 98.45 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.896 0.878 . . . . 0.0 112.421 176.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' HIS . . . . . 0.535 ' HD1' HD21 ' B' ' 28' ' ' LEU . 3.9 t-80 -68.22 -33.37 74.28 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.14 -0.975 . . . . 0.0 111.669 175.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.12 -48.69 58.27 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 126.092 1.806 . . . . 0.0 113.377 165.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -59.81 -42.56 93.75 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 117.892 0.846 . . . . 0.0 112.048 171.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -62.52 -53.87 48.29 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.288 0.949 . . . . 0.0 113.007 176.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 12.3 p -58.22 -46.68 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-N 119.917 1.235 . . . . 0.0 112.082 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 tt -68.88 -39.33 79.86 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.279 -0.888 . . . . 0.0 111.818 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.79 -39.56 47.5 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.485 1.517 . . . . 0.0 113.697 171.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.43 -50.44 69.77 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.207 1.004 . . . . 0.0 111.903 168.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -58.97 -35.1 72.62 Favored 'General case' 0 CA--C 1.554 1.111 0 O-C-N 120.363 -1.46 . . . . 0.0 114.015 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 98.5 p -74.55 -37.67 62.94 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.227 -1.545 . . . . 0.0 113.434 173.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -56.95 -32.62 66.2 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.464 1.029 . . . . 0.0 111.578 164.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.12 -60.23 9.35 Favored Glycine 0 CA--C 1.523 0.532 0 C-N-CA 123.885 0.755 . . . . 0.0 111.812 170.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.5 mt -58.81 -26.8 64.45 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 178.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.75 -18.78 43.04 Favored 'General case' 0 CA--C 1.554 1.098 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 173.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -140.28 34.48 1.89 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.817 1.247 . . . . 0.0 113.282 -170.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 84.9 mt -55.83 -21.64 20.71 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -57.88 -33.09 68.33 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.174 1.39 . . . . 0.0 114.311 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -162.18 65.45 0.23 Allowed 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.382 0.992 . . . . 0.0 113.112 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 98.4 mt -45.81 -46.44 15.44 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.886 1.274 . . . . 0.0 113.717 -175.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -4.4 3.69 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.92 -10.21 52.76 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.347 1.451 . . . . 0.0 114.464 172.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 3.4 m -119.07 -28.76 5.42 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.048 1.339 . . . . 0.0 111.922 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -90.48 -4.67 56.8 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.305 1.042 . . . . 0.0 113.625 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.99 -37.77 61.68 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 -165.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 19.2 p -63.14 -41.72 99.34 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.129 0.972 . . . . 0.0 112.185 173.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 50.5 mt -66.81 -42.81 85.29 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 124.146 0.978 . . . . 0.0 110.969 171.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 7.0 m -61.84 -37.86 86.05 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 120.363 1.438 . . . . 0.0 112.613 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.78 -51.14 66.16 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.018 0.927 . . . . 0.0 111.959 171.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 21.8 tp -50.38 -52.78 34.32 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.272 -0.892 . . . . 0.0 111.427 171.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -71.24 8.97 0.85 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.26 1.424 . . . . 0.0 114.811 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 43.3 t -131.65 -70.0 0.6 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.315 1.046 . . . . 0.0 110.721 173.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -65.86 -16.5 63.89 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.155 1.382 . . . . 0.0 114.294 -175.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.35 -36.97 5.65 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.439 1.096 . . . . 0.0 112.696 166.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 12.5 mt -133.72 51.56 2.13 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.668 1.187 . . . . 0.0 113.747 -166.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -61.92 25.55 0.01 OUTLIER 'General case' 0 CA--C 1.567 1.598 0 C-N-CA 127.22 2.208 . . . . 0.0 116.808 -177.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 9.2 m -55.48 155.97 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.819 1.648 . . . . 0.0 113.272 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -56.36 136.77 75.87 Favored Pre-proline 0 CA--C 1.558 1.271 0 O-C-N 120.708 -1.245 . . . . 0.0 113.312 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -45.25 -31.69 6.48 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 123.977 3.118 . . . . 0.0 116.585 173.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.98 -31.95 70.39 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.027 -1.671 . . . . 0.0 113.038 175.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -58.14 -37.77 75.28 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.095 -1.003 . . . . 0.0 111.768 175.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -68.94 -45.8 69.82 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.664 1.186 . . . . 0.0 110.929 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -38.47 69.94 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 118.868 -0.587 . . . . 0.0 112.193 172.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.01 -50.2 67.22 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.405 1.002 . . . . 0.0 111.701 177.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.84 -46.49 78.16 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 122.804 0.442 . . . . 0.0 110.368 174.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -59.05 -44.22 96.44 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 124.532 1.063 . . . . 0.0 115.009 175.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -60.9 -46.0 92.38 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.532 1.166 . . . . 0.0 111.102 175.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 92.1 t -62.33 -37.18 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 O-C-N 121.036 -1.04 . . . . 0.0 112.912 172.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 56.8 tp -57.96 -56.28 24.05 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 119.05 0.841 . . . . 0.0 110.469 171.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 17.8 m -64.16 -28.43 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-N 120.011 1.278 . . . . 0.0 113.421 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 4.7 m -53.72 -63.83 1.02 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 117.933 -1.032 . . . . 0.0 111.402 168.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 3.1 p -51.38 -36.89 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 120.145 1.339 . . . . 0.0 113.773 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.18 -48.33 78.83 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 121.458 -0.776 . . . . 0.0 110.816 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.98 12.66 0.5 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.201 1.401 . . . . 0.0 113.908 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -118.36 -53.27 2.35 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.903 1.281 . . . . 0.0 110.107 177.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -69.79 -31.3 69.13 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.529 -0.732 . . . . 0.0 112.508 172.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -119.0 32.73 5.98 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.633 1.573 . . . . 0.0 110.965 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -56.99 -31.64 61.69 Favored Glycine 0 CA--C 1.538 1.525 0 O-C-N 120.491 -1.381 . . . . 0.0 114.661 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -66.89 -16.07 64.07 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.697 1.199 . . . . 0.0 113.91 172.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -109.6 14.72 23.31 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.222 2.209 . . . . 0.0 111.809 -174.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -65.67 83.54 0.07 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.552 1.541 . . . . 0.0 112.556 -177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.78 158.07 84.38 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 124.319 1.048 . . . . 0.0 112.306 -178.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . 0.486 ' CB ' ' HD3' ' B' ' 125' ' ' PRO 0.386 2.9 Cg_exo -27.73 -92.21 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.088 1 C-N-CA 127.105 5.203 . . . . 0.0 118.622 -169.298 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . 0.486 ' HD3' ' CB ' ' B' ' 124' ' ' PRO . 23.1 Cg_exo -82.61 25.69 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 CA-C-N 124.455 2.627 . . . . 0.0 116.975 169.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 6.2 p -51.51 -41.22 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 CA-C-N 122.473 2.397 . . . . 0.0 114.559 -168.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -59.36 -48.17 82.65 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.306 0.957 . . . . 0.0 111.296 173.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.27 -37.28 86.65 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.425 1.09 . . . . 0.0 112.835 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.32 -51.85 64.3 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.778 0.831 . . . . 0.0 110.205 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -57.65 -46.97 83.52 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 118.596 -0.716 . . . . 0.0 112.056 169.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -56.68 -33.07 66.06 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.904 1.229 . . . . 0.0 113.188 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -68.11 -45.64 73.12 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 120.449 1.477 . . . . 0.0 113.742 172.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 4.1 p -67.29 -38.1 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 CA-C-N 120.407 1.458 . . . . 0.0 111.627 173.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 25.4 t -60.54 -44.9 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.608 1.163 . . . . 0.0 111.581 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.82 -42.44 97.66 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.701 0.801 . . . . 0.0 112.079 172.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.32 -46.37 86.81 Favored Glycine 0 N--CA 1.473 1.101 0 O-C-N 121.785 -0.572 . . . . 0.0 112.897 172.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 50.2 t -66.3 -44.23 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.001 0.92 . . . . 0.0 111.792 176.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.08 -47.96 76.99 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.035 0.834 . . . . 0.0 111.744 173.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -65.13 -38.09 89.53 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.964 0.906 . . . . 0.0 113.082 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.12 -43.31 92.36 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.244 1.017 . . . . 0.0 112.527 174.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.24 -38.25 89.77 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.932 -1.105 . . . . 0.0 111.975 171.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.87 -5.35 16.25 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 170.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -55.88 -44.85 78.55 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 119.777 -1.827 . . . . 0.0 112.88 -175.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -66.25 -2.93 4.85 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -77.57 -21.84 51.88 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.184 0.993 . . . . 0.0 111.514 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 73.0 m80 . . . . . 0 C--O 1.255 1.387 0 C-N-CA 126.236 1.814 . . . . 0.0 112.478 175.757 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.509 2.482 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 37.0 mt -144.87 -171.55 3.65 Favored 'General case' 0 N--CA 1.484 1.275 0 O-C-N 120.242 -1.536 . . . . 0.0 111.946 -172.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.45 154.75 77.37 Favored Pre-proline 0 N--CA 1.489 1.479 0 C-N-CA 125.466 1.506 . . . . 0.0 111.778 -168.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -76.46 -51.48 0.1 OUTLIER 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.218 1.945 . . . . 0.0 114.755 -168.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.53 84.99 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.508 -0.745 . . . . 0.0 112.25 -176.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.62 -40.7 92.86 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.514 0.725 . . . . 0.0 111.877 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -56.26 -46.01 79.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 117.993 -1.004 . . . . 0.0 111.849 170.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 63.2 m -56.58 -42.42 78.63 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 120.163 1.347 . . . . 0.0 112.11 176.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -66.74 -35.66 80.63 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.106 -0.996 . . . . 0.0 112.68 174.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.56 -43.53 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 CA-C-N 119.264 0.938 . . . . 0.0 111.231 168.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -60.18 -45.81 91.85 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.447 1.021 . . . . 0.0 111.111 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.01 -50.34 74.47 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.265 0.626 . . . . 0.0 111.169 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.17 -57.84 11.07 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.403 0.681 . . . . 0.0 112.394 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -66.31 -24.03 66.47 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.424 -0.797 . . . . 0.0 112.937 -177.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.83 -50.58 64.45 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 124.853 1.216 . . . . 0.0 113.234 171.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -26.13 63.17 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 118.637 1.218 . . . . 0.0 112.483 175.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 88.5 t -68.12 -20.32 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.467 1.107 . . . . 0.0 113.23 172.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.2 141.18 4.36 Favored Glycine 0 CA--C 1.542 1.755 0 C-N-CA 124.785 1.183 . . . . 0.0 114.656 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 60.97 -35.2 0.09 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 128.273 2.629 . . . . 0.0 116.542 -169.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -77.59 -14.0 59.76 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.864 1.265 . . . . 0.0 113.605 173.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.46 -48.06 62.93 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.222 1.409 . . . . 0.0 114.313 -166.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.99 -35.46 92.11 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 121.776 -0.577 . . . . 0.0 113.573 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.51 -44.88 89.53 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.901 0.88 . . . . 0.0 110.578 173.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -66.51 -34.99 79.16 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.61 -48.92 77.97 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 118.996 0.817 . . . . 0.0 112.384 170.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.76 91.78 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.75 0.82 . . . . 0.0 112.118 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.98 -40.49 95.05 Favored 'General case' 0 C--O 1.223 -0.304 0 O-C-N 121.336 -0.853 . . . . 0.0 113.123 173.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.74 -38.01 88.84 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 120.839 1.654 . . . . 0.0 112.302 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -64.44 -50.76 66.28 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.22 1.008 . . . . 0.0 111.215 172.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -60.28 -43.51 96.18 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.432 -0.792 . . . . 0.0 111.701 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -60.69 -40.4 92.05 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.282 1.433 . . . . 0.0 111.542 173.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 13.4 tmm? -61.41 -51.45 68.68 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.404 1.002 . . . . 0.0 111.937 171.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -63.16 -41.18 99.21 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.41 -32.58 62.72 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.914 0.779 . . . . 0.0 112.911 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 71.1 m -78.12 -18.53 55.54 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -146.94 69.17 11.88 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 123.615 0.766 . . . . 0.0 110.495 -170.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -62.04 -13.76 33.39 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.584 2.856 . . . . 0.0 115.433 -166.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 2.2 p -54.07 -24.96 19.25 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.492 1.517 . . . . 0.0 114.578 163.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 72.7 p -74.72 -35.6 62.69 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.124 1.329 . . . . 0.0 113.152 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -56.08 -34.73 66.26 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 121.305 -0.872 . . . . 0.0 113.298 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 2.4 t -55.69 -26.86 47.06 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' TYR . . . . . 0.486 ' CZ ' HG22 ' C' ' 93' ' ' VAL . 0.6 OUTLIER -63.4 -21.85 66.53 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -174.765 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 30.67 59.02 0.98 Allowed Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 126.878 2.071 . . . . 0.0 113.378 -177.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -46.67 -57.08 2.47 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 124.178 3.252 . . . . 0.0 115.064 -161.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -161.18 17.73 0.11 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.605 1.562 . . . . 0.0 112.699 161.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.68 -176.85 4.55 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.122 1.369 . . . . 0.0 113.327 -162.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -130.78 144.11 51.22 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.451 1.5 . . . . 0.0 109.183 175.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.9 27.81 4.56 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.605 1.562 . . . . 0.0 112.834 -163.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 97.6 p -57.4 167.78 0.91 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.002 1.321 . . . . 0.0 113.763 170.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -57.84 114.51 2.34 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.051 -1.031 . . . . 0.0 110.971 174.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.84 5.38 62.82 Favored Glycine 0 CA--C 1.538 1.511 0 CA-C-O 118.709 -1.051 . . . . 0.0 115.589 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.49 116.28 3.55 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.443 1.621 . . . . 0.0 113.783 -173.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.61 -33.56 64.08 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.219 1.008 . . . . 0.0 113.259 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -62.48 -38.63 90.61 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.664 0.786 . . . . 0.0 112.147 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 65.4 t -69.03 -36.03 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.654 0.782 . . . . 0.0 111.311 173.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -63.99 -45.66 88.04 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.509 1.049 . . . . 0.0 111.621 175.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.21 -51.67 57.39 Favored Glycine 0 N--CA 1.471 0.996 0 C-N-CA 124.052 0.834 . . . . 0.0 112.46 174.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -55.69 -44.22 77.16 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.952 0.901 . . . . 0.0 111.974 173.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -57.93 -49.08 78.02 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 120.894 -1.129 . . . . 0.0 113.689 174.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -55.58 -43.69 76.21 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.097 0.959 . . . . 0.0 112.258 171.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -50.35 68.65 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 118.229 -0.891 . . . . 0.0 112.702 175.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 69.0 t -56.03 -43.52 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 120.352 1.433 . . . . 0.0 111.415 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.65 -49.81 73.68 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 175.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -59.85 -35.9 75.75 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.528 -0.733 . . . . 0.0 112.269 176.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.08 93.56 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 121.512 -0.742 . . . . 0.0 112.82 171.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mt -65.47 -41.32 93.46 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 118.664 -0.684 . . . . 0.0 111.802 170.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 48.6 m -59.01 -45.84 89.68 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.959 1.254 . . . . 0.0 111.624 171.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -61.45 -39.92 92.58 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.503 1.921 . . . . 0.0 112.402 175.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.08 -58.23 9.55 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.694 0.679 . . . . 0.0 110.29 167.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 74.4 t -52.09 -41.44 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 125.123 1.369 . . . . 0.0 112.943 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.33 -22.92 65.58 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.401 1.48 . . . . 0.0 114.794 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -135.93 23.97 3.32 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.303 1.441 . . . . 0.0 112.351 -171.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.71 -23.08 25.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 N-CA-C 117.001 2.223 . . . . 0.0 117.001 -154.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.92 -6.11 39.91 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 120.205 1.366 . . . . 0.0 114.314 172.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -119.69 3.24 11.16 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.706 2.402 . . . . 0.0 112.451 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -62.39 -17.06 0.38 Allowed Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 117.995 2.591 . . . . 0.0 117.995 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . 0.537 ' HA ' HG12 ' C' ' 135' ' ' VAL . 87.3 Cg_exo -46.23 -42.87 21.68 Favored 'Trans proline' 0 C--N 1.358 1.051 0 CA-C-N 123.881 2.422 . . . . 0.0 113.996 167.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -75.92 -50.4 15.09 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.126 0.57 . . . . 0.0 110.753 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.63 -16.28 63.79 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -170.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 80' ' ' LEU . . . . . 0.413 HD11 HG13 ' C' ' 135' ' ' VAL . 84.2 mt -101.36 5.65 42.33 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.055 1.342 . . . . 0.0 113.106 173.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 14.4 t -57.62 -38.01 74.27 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.719 -1.238 . . . . 0.0 113.514 -177.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.49 -26.14 60.83 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.898 1.226 . . . . 0.0 113.495 174.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 mt -89.0 -34.13 16.94 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.536 1.134 . . . . 0.0 110.709 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 13.1 t -57.94 -45.92 85.87 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 117.976 -1.012 . . . . 0.0 111.165 163.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -55.04 -51.13 67.27 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.489 1.495 . . . . 0.0 112.569 172.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.38 -53.39 29.56 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.385 0.674 . . . . 0.0 111.145 171.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -18.42 61.2 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -178.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.25 -11.64 12.57 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 121.128 1.785 . . . . 0.0 114.309 -170.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.4 -5.13 2.61 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.336 1.454 . . . . 0.0 113.96 178.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -129.98 -42.49 1.24 Allowed 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.48 -54.76 2.6 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 23.1 mtm105 46.39 49.1 13.38 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 126.234 1.814 . . . . 0.0 114.443 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . 0.486 HG22 ' CZ ' ' C' ' 42' ' ' TYR . 89.9 t -86.0 139.19 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.75 0.82 . . . . 0.0 111.275 177.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -41.69 127.94 2.44 Favored Pre-proline 0 CA--C 1.554 1.104 0 C-N-CA 127.929 2.492 . . . . 0.0 113.88 168.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -50.22 -15.97 1.65 Allowed 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 125.272 3.981 . . . . 0.0 117.659 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 9.8 p -48.34 -36.06 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.74 1.155 . . . . 0.0 112.325 169.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -66.1 -38.34 88.0 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.416 -0.802 . . . . 0.0 112.686 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -50.41 72.9 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.292 0.951 . . . . 0.0 110.266 172.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -54.79 -48.68 72.41 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.829 0.852 . . . . 0.0 110.412 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.8 -57.21 13.63 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.843 0.857 . . . . 0.0 112.286 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -41.28 87.14 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.008 0.822 . . . . 0.0 112.072 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 70.7 m -68.46 -43.46 76.94 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.201 0.91 . . . . 0.0 112.929 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -46.19 91.37 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.793 -0.567 . . . . 0.0 110.755 172.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 93.4 m -62.76 -39.58 94.58 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-O 117.88 -1.057 . . . . 0.0 111.721 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 23.1 mt -56.24 -56.28 22.95 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 120.57 1.532 . . . . 0.0 111.46 172.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 8.2 mt -48.15 -49.39 32.59 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.098 0.863 . . . . 0.0 111.248 176.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.12 -46.27 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 123.777 0.831 . . . . 0.0 112.434 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 86.2 m -65.18 -42.75 93.36 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.379 -0.825 . . . . 0.0 112.422 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.21 -47.46 83.41 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.228 0.922 . . . . 0.0 109.589 175.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.62 -17.09 64.64 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.7 -12.52 47.5 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.313 0.96 . . . . 0.0 113.217 169.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -132.21 -13.9 3.05 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -175.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 11.2 mp -104.8 155.12 37.99 Favored Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 125.264 1.426 . . . . 0.0 110.845 177.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -52.94 -37.04 77.46 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 124.111 3.207 . . . . 0.0 115.973 -170.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.28 -33.9 0.1 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.96 0.904 . . . . 0.0 113.281 173.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 63.8 -4.32 0.36 Allowed 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.57 29.0 2.68 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.527 1.531 . . . . 0.0 111.306 -177.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 2.6 p -54.15 166.11 0.71 Allowed Pre-proline 0 N--CA 1.478 0.959 0 O-C-N 121.361 -0.837 . . . . 0.0 110.289 172.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -49.06 -38.12 39.23 Favored 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 122.053 1.835 . . . . 0.0 115.447 174.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.97 -53.28 6.89 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.819 0.342 . . . . 0.0 111.359 172.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.68 -34.1 65.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 O-C-N 121.177 -0.952 . . . . 0.0 112.165 -168.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -64.99 -51.13 63.38 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 120.833 1.651 . . . . 0.0 112.145 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.9 -44.35 86.73 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 117.834 0.288 . . . . 0.0 110.784 173.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 49.4 m -58.33 -56.64 19.48 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.008 0.523 . . . . 0.0 112.119 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -75.05 -42.36 57.26 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.561 0.745 . . . . 0.0 111.843 -174.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -60.66 -51.18 70.48 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.757 1.162 . . . . 0.0 111.476 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . 0.286 0.0 OUTLIER -71.1 -28.26 64.19 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 178.709 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -64.5 -50.78 66.05 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 119.843 1.201 . . . . 0.0 111.445 170.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.65 -36.54 81.1 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.831 0.742 . . . . 0.0 111.423 175.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.96 -54.52 46.0 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 118.457 -0.783 . . . . 0.0 111.313 170.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 68.0 m -60.74 -40.17 91.4 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 120.339 1.427 . . . . 0.0 114.1 177.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 55.9 t -55.65 -45.36 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.493 1.042 . . . . 0.0 110.43 171.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 68.7 m -74.06 -37.35 64.29 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 95.0 m -53.05 -45.1 67.92 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 120.298 1.408 . . . . 0.0 110.209 167.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 135' ' ' VAL . . . . . 0.537 HG12 ' HA ' ' C' ' 77' ' ' PRO . 20.2 t -67.41 -45.64 85.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 124.289 1.036 . . . . 0.0 113.083 175.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -45.56 93.41 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.7 1.137 . . . . 0.0 111.968 176.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 91.7 m -66.6 -31.51 72.26 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.455 1.502 . . . . 0.0 113.245 175.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 14.1 t -56.56 119.24 5.77 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.907 0.883 . . . . 0.0 111.011 172.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -57.52 -40.44 78.75 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -165.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 42.51 -118.65 0.47 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.575 1.55 . . . . 0.0 113.174 -171.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 . . . . . 0 C--O 1.255 1.374 0 C-N-CA 125.844 1.657 . . . . 0.0 113.772 -172.437 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.326 2.5 p . . . . . 0 N--CA 1.514 2.732 0 CA-C-O 117.077 -1.439 . . . . 0.0 113.002 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 20.77 78.97 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 127.932 2.493 . . . . 0.0 116.151 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.35 160.82 18.11 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.938 -0.476 . . . . 0.0 111.027 175.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.535 ' HG1' ' H ' ' D' ' 7' ' ' GLU . 5.5 p -64.86 154.28 86.29 Favored Pre-proline 0 N--CA 1.478 0.946 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.446 164.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.49 -35.64 85.97 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.48 2.12 . . . . 0.0 114.09 174.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.2 -43.6 67.06 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.478 0.711 . . . . 0.0 111.824 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' GLU . . . . . 0.535 ' H ' ' HG1' ' D' ' 4' ' ' THR . 35.4 mt-10 -67.48 -38.53 84.54 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.324 -0.86 . . . . 0.0 112.139 175.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -53.65 -49.65 67.45 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.283 1.433 . . . . 0.0 110.927 168.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 19.7 t -59.65 -47.07 87.07 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 117.982 0.355 . . . . 0.0 111.621 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.02 -50.58 68.7 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.044 0.938 . . . . 0.0 113.469 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.43 -57.55 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.235 0.47 . . . . 0.0 111.602 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 15.0 m -70.07 -34.06 72.7 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.023 -1.048 . . . . 0.0 112.938 -168.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.56 -38.3 89.54 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.782 1.174 . . . . 0.0 112.455 175.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.28 -30.94 63.76 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.48 -0.763 . . . . 0.0 112.1 174.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -36.92 83.66 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.154 -0.966 . . . . 0.0 112.87 166.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.93 -39.41 91.7 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.893 1.235 . . . . 0.0 114.172 175.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -89.98 -13.33 36.36 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 176.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.493 HG23 HG12 ' D' ' 23' ' ' VAL . 0.4 OUTLIER -60.89 146.09 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 124.049 0.94 . . . . 0.0 113.432 -174.505 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -95.19 76.73 3.46 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.832 1.253 . . . . 0.0 109.448 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 95.7 t -47.65 -39.17 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -165.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -63.7 -60.38 3.38 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.965 0.906 . . . . 0.0 112.302 174.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -69.68 -49.58 52.2 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.449 0.7 . . . . 0.0 111.356 -174.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . 0.493 HG12 HG23 ' D' ' 18' ' ' VAL . 0.5 OUTLIER -66.07 -27.85 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 124.395 1.078 . . . . 0.0 112.291 179.024 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.05 -42.27 8.91 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-N 119.24 0.927 . . . . 0.0 112.267 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.39 -41.31 93.12 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 118.014 0.907 . . . . 0.0 111.976 166.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -62.65 -55.62 25.25 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 118.159 0.979 . . . . 0.0 112.568 167.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.94 -42.23 65.24 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 121.346 1.884 . . . . 0.0 113.417 -177.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . 0.533 HD21 ' HD1' ' D' ' 63' ' ' HIS . 28.0 tp -78.38 -54.63 5.98 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.737 0.815 . . . . 0.0 111.951 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.7 -44.78 97.01 Favored Glycine 0 CA--C 1.527 0.818 0 O-C-N 120.48 -1.388 . . . . 0.0 112.876 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' ARG . . . . . 0.505 ' HA ' HG22 ' D' ' 33' ' ' VAL . 1.9 mmt180 -71.02 -10.3 59.52 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.487 1.515 . . . . 0.0 113.157 174.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -77.62 -44.48 28.13 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.274 1.397 . . . . 0.0 109.878 161.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.95 -25.44 67.88 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 120.526 -1.359 . . . . 0.0 113.336 175.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' D' ' 30' ' ' ARG . 5.0 m -75.18 -17.29 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-N 120.566 1.53 . . . . 0.0 115.068 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.56 2.97 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 CA-C-N 121.445 1.93 . . . . 0.0 113.778 -177.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 48.51 42.72 1.31 Allowed Pre-proline 0 CA--C 1.562 1.418 0 C-N-CA 125.884 1.674 . . . . 0.0 115.276 -163.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -75.63 168.06 25.17 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.566 2.844 . . . . 0.0 113.948 -173.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -24.67 65.08 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.617 1.339 . . . . 0.0 114.617 170.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 26.0 p -61.1 -23.9 65.84 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 120.478 -1.388 . . . . 0.0 113.683 171.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -61.47 -9.05 4.86 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 120.886 -1.134 . . . . 0.0 113.443 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -53.47 -33.42 54.14 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 118.929 -2.357 . . . . 0.0 113.348 170.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -88.25 9.17 23.95 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -49.88 -29.07 7.48 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 175.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -55.25 -14.04 1.59 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.14 1.776 . . . . 0.0 115.178 171.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 50.2 m -108.09 16.06 23.68 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.89 2.076 . . . . 0.0 113.386 176.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -117.6 4.8 12.36 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.691 1.196 . . . . 0.0 113.644 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.97 -35.48 2.12 Favored Glycine 0 CA--C 1.535 1.309 0 N-CA-C 117.105 1.602 . . . . 0.0 117.105 162.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -141.44 -91.04 0.15 Allowed 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 119.277 1.539 . . . . 0.0 111.72 -176.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 43.99 1.04 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 120.143 3.386 . . . . 0.0 120.143 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -59.76 -21.57 60.93 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 120.37 1.441 . . . . 0.0 114.231 -167.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 62.9 p -124.35 157.45 64.67 Favored Pre-proline 0 N--CA 1.47 0.562 0 C-N-CA 125.287 1.435 . . . . 0.0 110.545 164.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -55.84 -40.52 84.65 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.867 2.378 . . . . 0.0 114.678 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.83 -39.63 92.46 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.628 -0.67 . . . . 0.0 111.958 175.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.37 99.25 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.82 -25.97 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-N 119.808 1.185 . . . . 0.0 113.385 178.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.6 -36.75 43.86 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.148 0.885 . . . . 0.0 112.901 174.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.19 -27.72 19.91 Favored Glycine 0 CA--C 1.536 1.344 0 N-CA-C 115.103 0.801 . . . . 0.0 115.103 -174.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.15 133.41 84.26 Favored Pre-proline 0 CA--C 1.557 1.222 0 CA-C-N 118.446 1.123 . . . . 0.0 113.528 -174.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.23 -32.71 16.12 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.741 2.294 . . . . 0.0 114.0 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -59.68 -45.74 91.16 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 120.444 1.474 . . . . 0.0 111.012 173.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.08 -37.16 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 119.403 1.001 . . . . 0.0 112.743 174.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -68.96 -49.48 57.58 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 120.042 1.292 . . . . 0.0 113.029 174.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.63 98.48 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.963 0.905 . . . . 0.0 112.463 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 63' ' ' HIS . . . . . 0.533 ' HD1' HD21 ' D' ' 28' ' ' LEU . 3.9 t-80 -68.16 -33.45 74.5 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.923 -1.111 . . . . 0.0 111.791 174.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.18 -48.68 58.54 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.997 1.761 . . . . 0.0 113.467 165.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -59.81 -42.62 93.87 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 117.865 0.833 . . . . 0.0 112.01 171.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -62.03 -54.41 41.86 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.302 0.955 . . . . 0.0 113.128 175.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 12.8 p -57.77 -46.88 86.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 119.859 1.209 . . . . 0.0 112.118 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 tt -69.19 -39.24 78.79 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.168 -0.957 . . . . 0.0 111.691 177.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.83 -39.51 47.69 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.357 1.456 . . . . 0.0 113.788 171.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.44 -50.34 70.15 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.342 1.071 . . . . 0.0 111.915 168.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -59.09 -34.94 72.58 Favored 'General case' 0 CA--C 1.553 1.086 0 O-C-N 120.411 -1.431 . . . . 0.0 114.117 175.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 98.3 p -74.51 -37.72 63.02 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.262 -1.524 . . . . 0.0 113.445 173.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -56.98 -32.48 66.12 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.403 1.001 . . . . 0.0 111.696 164.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.1 -60.33 9.17 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 123.699 0.666 . . . . 0.0 111.857 170.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 mt -58.66 -26.85 64.22 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.82 -18.64 43.29 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 173.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -140.4 34.48 1.86 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.942 1.297 . . . . 0.0 113.234 -170.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 84.8 mt -55.87 -21.66 21.19 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -57.69 -33.13 68.04 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.122 1.369 . . . . 0.0 114.435 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -162.15 65.49 0.23 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.423 1.01 . . . . 0.0 113.166 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 98.5 mt -45.8 -46.6 15.49 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.838 1.255 . . . . 0.0 113.758 -175.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -4.37 3.56 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 178.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.85 -10.36 52.68 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 125.433 1.492 . . . . 0.0 114.502 172.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 3.4 m -119.06 -28.7 5.44 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.952 1.301 . . . . 0.0 111.982 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -90.48 -4.68 56.79 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.257 1.023 . . . . 0.0 113.667 -177.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.92 -37.95 61.33 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 115.67 1.729 . . . . 0.0 115.67 -165.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 19.4 p -62.98 -41.7 99.63 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.065 0.946 . . . . 0.0 112.29 173.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 50.8 mt -66.98 -42.67 84.67 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 124.188 0.995 . . . . 0.0 110.956 171.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 7.0 m -61.86 -37.97 86.52 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.41 1.459 . . . . 0.0 112.51 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.66 -51.31 65.7 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.939 0.896 . . . . 0.0 111.949 171.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 21.6 tp -50.3 -52.77 33.75 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.246 -0.909 . . . . 0.0 111.354 171.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -71.34 9.02 0.86 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.211 1.404 . . . . 0.0 114.762 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 43.7 t -131.74 -69.99 0.59 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.241 1.016 . . . . 0.0 110.699 173.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.72 -16.73 64.05 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.196 1.398 . . . . 0.0 114.295 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.12 -37.08 5.67 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.257 1.023 . . . . 0.0 112.574 166.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 12.5 mt -133.61 51.62 2.13 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 124.644 1.178 . . . . 0.0 113.745 -166.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -62.09 25.69 0.01 OUTLIER 'General case' 0 CA--C 1.567 1.621 0 C-N-CA 127.24 2.216 . . . . 0.0 116.753 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 9.3 m -55.63 155.98 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.767 1.627 . . . . 0.0 113.372 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -56.33 136.67 75.7 Favored Pre-proline 0 CA--C 1.558 1.259 0 O-C-N 120.649 -1.282 . . . . 0.0 113.257 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -44.65 -32.8 6.18 Favored 'Trans proline' 0 CA--C 1.545 1.07 0 C-N-CA 124.077 3.185 . . . . 0.0 116.206 173.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.38 -32.26 69.98 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 119.979 -1.7 . . . . 0.0 113.029 175.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -57.76 -38.23 75.02 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.035 -1.04 . . . . 0.0 111.697 175.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -68.62 -45.86 70.78 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.669 1.188 . . . . 0.0 111.012 174.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -38.39 69.9 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 118.847 -0.596 . . . . 0.0 112.229 172.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -49.96 67.78 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.509 1.049 . . . . 0.0 111.64 177.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.07 -46.6 78.94 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 122.799 0.44 . . . . 0.0 110.415 174.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.92 -44.27 96.21 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.628 1.109 . . . . 0.0 115.025 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.6 -46.06 91.65 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.647 1.224 . . . . 0.0 111.282 174.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.59 -37.08 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 O-C-N 121.203 -0.936 . . . . 0.0 113.039 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 57.0 tp -57.38 -57.07 14.28 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.187 0.903 . . . . 0.0 110.425 171.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 16.9 m -63.45 -28.76 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 119.824 1.193 . . . . 0.0 113.432 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 6.3 m -53.66 -64.09 0.94 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 117.766 -1.111 . . . . 0.0 111.41 167.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 2.9 p -51.46 -36.84 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 119.994 1.27 . . . . 0.0 113.392 -173.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.12 -47.82 81.15 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.59 -0.694 . . . . 0.0 110.824 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.54 12.99 0.52 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.119 1.367 . . . . 0.0 113.805 173.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -118.41 -53.1 2.35 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.873 1.269 . . . . 0.0 110.163 177.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 -69.75 -31.38 69.31 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.599 -0.688 . . . . 0.0 112.578 172.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -119.05 32.87 5.9 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.57 1.548 . . . . 0.0 110.885 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -57.03 -31.73 61.92 Favored Glycine 0 CA--C 1.539 1.541 0 O-C-N 120.755 -1.216 . . . . 0.0 114.651 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -66.7 -16.07 63.96 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.702 1.201 . . . . 0.0 113.851 171.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -109.72 14.75 23.18 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 127.198 2.199 . . . . 0.0 111.711 -174.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -65.55 83.58 0.06 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.52 1.528 . . . . 0.0 112.547 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.91 158.22 84.22 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 124.32 1.048 . . . . 0.0 112.216 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . 0.491 ' CB ' ' HD3' ' D' ' 125' ' ' PRO 0.386 3.3 Cg_exo -27.96 -91.88 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.028 1 C-N-CA 126.971 5.114 . . . . 0.0 118.544 -169.28 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' D' D ' 125' ' ' PRO . . . . . 0.491 ' HD3' ' CB ' ' D' ' 124' ' ' PRO . 23.5 Cg_exo -83.03 25.9 0.67 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 CA-C-N 124.513 2.647 . . . . 0.0 116.928 169.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 6.2 p -51.79 -41.15 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 CA-C-N 122.272 2.306 . . . . 0.0 114.448 -168.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -59.18 -48.21 82.44 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.31 0.959 . . . . 0.0 111.366 173.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.46 -37.13 86.13 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.251 1.021 . . . . 0.0 112.882 178.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.36 -51.72 64.75 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.581 0.752 . . . . 0.0 110.364 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -57.66 -46.96 83.57 Favored 'General case' 0 C--O 1.222 -0.346 0 O-C-N 121.43 -0.793 . . . . 0.0 112.059 169.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -56.65 -33.1 66.01 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 119.948 1.249 . . . . 0.0 113.174 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -68.11 -45.28 74.11 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 120.435 1.47 . . . . 0.0 113.975 172.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 4.3 p -67.49 -38.46 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-N 120.342 1.428 . . . . 0.0 111.668 173.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.33 -45.1 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 124.739 1.216 . . . . 0.0 111.656 175.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.63 97.84 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.89 0.876 . . . . 0.0 112.063 172.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.19 -46.58 85.44 Favored Glycine 0 N--CA 1.474 1.188 0 O-C-N 121.785 -0.572 . . . . 0.0 112.943 172.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 51.5 t -65.98 -44.3 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.028 0.931 . . . . 0.0 111.907 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.14 -47.96 77.16 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.148 0.886 . . . . 0.0 111.584 173.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -65.04 -38.19 90.05 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.088 0.955 . . . . 0.0 113.003 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.25 -43.29 91.81 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.114 0.966 . . . . 0.0 112.528 175.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.18 -38.15 89.61 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.908 -1.12 . . . . 0.0 112.053 171.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.94 -5.27 16.2 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 170.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -55.96 -44.84 78.86 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 119.853 -1.78 . . . . 0.0 112.884 -175.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -66.19 -3.1 5.02 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -77.49 -21.84 52.19 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.202 1.001 . . . . 0.0 111.689 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 73.0 m80 . . . . . 0 C--O 1.256 1.407 0 C-N-CA 126.191 1.796 . . . . 0.0 112.575 175.544 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.5 m . . . . . 0 N--CA 1.515 2.823 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mp -142.64 -161.71 1.29 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.344 1.458 . . . . 0.0 111.165 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.9 p -115.51 153.09 47.7 Favored Pre-proline 0 N--CA 1.483 1.186 0 CA-C-N 120.178 1.354 . . . . 0.0 112.755 -172.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.33 -35.89 22.5 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.002 1.802 . . . . 0.0 113.763 -162.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.15 77.51 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 177.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.32 -44.39 79.25 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.041 0.837 . . . . 0.0 111.314 174.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -54.64 -48.19 72.58 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.603 0.638 . . . . 0.0 110.956 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.1 m -54.07 -47.93 71.15 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.77 0.828 . . . . 0.0 112.295 176.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -78.39 -28.19 46.9 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.1 -48.89 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-N 119.501 1.046 . . . . 0.0 110.2 167.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -58.06 -47.02 84.43 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.92 0.782 . . . . 0.0 111.27 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.89 -53.45 58.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.283 0.633 . . . . 0.0 112.101 177.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.53 -52.12 66.99 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.873 0.869 . . . . 0.0 112.061 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -65.83 -26.74 67.81 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.592 -0.692 . . . . 0.0 112.844 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.28 -40.83 97.94 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.566 1.079 . . . . 0.0 113.582 169.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -67.84 -37.75 82.29 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 118.551 1.175 . . . . 0.0 111.533 173.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 67.0 t -67.45 -24.5 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.997 1.719 . . . . 0.0 113.666 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.18 121.91 1.1 Allowed Glycine 0 CA--C 1.541 1.682 0 C-N-CA 125.103 1.335 . . . . 0.0 114.054 175.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 84.48 -31.89 0.07 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 129.658 3.183 . . . . 0.0 114.562 -175.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -88.08 -6.35 57.98 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.466 1.106 . . . . 0.0 113.158 170.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.429 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -46.4 -53.04 11.79 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.835 1.654 . . . . 0.0 113.662 -176.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.31 -36.58 89.67 Favored Glycine 0 N--CA 1.471 0.969 0 O-C-N 121.676 -0.64 . . . . 0.0 114.013 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.6 -43.75 84.93 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.329 1.452 . . . . 0.0 111.773 170.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -74.28 -36.22 63.78 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.717 -1.239 . . . . 0.0 113.566 176.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.66 -49.05 72.71 Favored Glycine 0 CA--C 1.533 1.198 0 CA-C-N 119.419 1.009 . . . . 0.0 111.54 168.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.8 -52.07 66.99 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.287 1.035 . . . . 0.0 111.752 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -64.71 -33.97 77.21 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.222 0.919 . . . . 0.0 112.312 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.1 -38.19 78.8 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.861 -1.149 . . . . 0.0 112.488 175.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.0 mt -62.6 -47.99 81.39 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.9 0.88 . . . . 0.0 111.091 169.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -59.03 -45.96 89.41 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.041 0.936 . . . . 0.0 111.512 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -51.36 -55.6 17.61 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.814 1.246 . . . . 0.0 111.874 169.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -54.32 -41.67 69.26 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.319 1.048 . . . . 0.0 112.724 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -65.31 -24.64 67.33 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 176.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -115.09 -13.19 11.85 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -173.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.1 p -75.96 -40.12 54.6 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.073 0.949 . . . . 0.0 111.768 161.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -131.83 81.57 62.68 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 126.0 1.72 . . . . 0.0 110.94 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -52.2 -15.88 4.12 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 124.618 3.546 . . . . 0.0 116.903 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.1 p -53.58 -44.32 69.26 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.41 1.084 . . . . 0.0 112.189 167.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.7 p -59.71 -27.85 66.82 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -177.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -53.3 -35.35 60.03 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.444 1.02 . . . . 0.0 112.133 170.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.58 -20.74 66.43 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 178.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.43 -18.26 65.26 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.447 -0.783 . . . . 0.0 113.07 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.2 79.06 10.02 Favored Pre-proline 0 CA--C 1.552 1.047 0 CA-C-N 119.412 1.006 . . . . 0.0 112.217 174.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.48 24.3 0.28 Allowed 'Trans proline' 0 CA--C 1.553 1.429 0 C-N-CA 125.079 3.853 . . . . 0.0 115.767 -168.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.16 -11.3 4.69 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.927 1.691 . . . . 0.0 113.063 176.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -76.91 123.58 26.49 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.641 0.776 . . . . 0.0 112.211 -168.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -81.85 62.88 5.85 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.19 0.996 . . . . 0.0 111.621 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 pp -65.55 22.32 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 126.735 2.014 . . . . 0.0 115.768 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 m -58.13 160.32 5.06 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.22 1.808 . . . . 0.0 112.855 173.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -57.9 123.94 17.54 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.066 -1.021 . . . . 0.0 110.971 173.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.09 7.1 66.13 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-O 119.048 -0.862 . . . . 0.0 115.216 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.8 t -53.84 108.17 0.33 Allowed 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.058 1.429 . . . . 0.0 114.276 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.9 -32.93 64.18 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.164 0.986 . . . . 0.0 112.516 170.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -66.03 -44.27 85.16 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.09 0.556 . . . . 0.0 111.337 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.07 -35.77 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.536 174.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -63.38 -47.02 83.79 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 120.217 1.371 . . . . 0.0 111.958 174.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.06 -51.57 56.02 Favored Glycine 0 N--CA 1.47 0.945 0 C-N-CA 124.191 0.901 . . . . 0.0 112.259 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -57.89 -41.78 83.29 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.777 -0.837 . . . . 0.0 111.496 173.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.95 -51.1 51.97 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 124.512 1.053 . . . . 0.0 113.712 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -54.48 -43.67 71.93 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 118.651 1.225 . . . . 0.0 112.391 172.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -65.93 -48.57 70.93 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.001 0.818 . . . . 0.0 112.307 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.8 t -54.7 -47.72 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 119.053 0.842 . . . . 0.0 111.033 172.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.429 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -67.75 -40.63 84.1 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -64.16 -37.31 87.01 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.233 -0.917 . . . . 0.0 111.875 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.11 -35.36 80.02 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.484 -0.76 . . . . 0.0 112.991 168.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mt -63.41 -45.28 91.71 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.224 0.92 . . . . 0.0 111.604 168.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.4 m -55.28 -45.87 76.18 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 120.286 1.403 . . . . 0.0 111.9 172.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -61.49 -43.98 97.9 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.996 1.319 . . . . 0.0 112.258 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.04 -50.51 70.74 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.53 -0.731 . . . . 0.0 111.412 170.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.99 -42.46 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.898 0.879 . . . . 0.0 112.055 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.91 -23.79 67.48 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 178.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -134.05 25.11 3.92 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.059 1.343 . . . . 0.0 112.699 -171.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.7 p -60.21 -25.6 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -169.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -71.99 -21.72 61.53 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 120.89 -1.131 . . . . 0.0 113.863 173.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -128.16 24.29 5.97 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 127.602 2.361 . . . . 0.0 111.95 -173.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.2 ttp -51.93 -36.14 27.89 Favored Pre-proline 0 CA--C 1.548 0.883 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -171.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.52 46.6 0.47 Allowed 'Trans proline' 0 CA--C 1.556 1.584 0 C-N-CA 124.403 3.402 . . . . 0.0 114.584 168.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -157.81 -39.05 0.07 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 128.588 2.755 . . . . 0.0 109.464 168.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.41 77.81 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.342 1.057 . . . . 0.0 113.833 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.9 mt -100.36 9.47 42.61 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -175.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 56.6 m -58.13 -31.81 67.54 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -177.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.41 70.26 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 120.849 -1.157 . . . . 0.0 112.973 171.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.2 mt -81.36 -35.04 31.33 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.259 1.023 . . . . 0.0 111.679 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 p -59.66 -43.7 93.83 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 118.727 -0.654 . . . . 0.0 110.458 167.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.65 -49.4 75.14 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.612 1.565 . . . . 0.0 112.385 173.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 tp -47.95 -67.19 0.3 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.723 1.209 . . . . 0.0 110.528 170.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -27.51 68.48 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -171.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.48 -41.7 69.01 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.773 0.829 . . . . 0.0 111.782 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -73.07 -45.55 56.66 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.429 0.692 . . . . 0.0 112.608 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.55 157.56 32.27 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.294 1.438 . . . . 0.0 112.216 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.9 mt 51.74 68.47 0.8 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.654 1.182 . . . . 0.0 113.102 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -63.06 13.52 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 118.042 2.608 . . . . 0.0 118.042 -170.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.0 t 25.37 86.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 129.524 3.13 . . . . 0.0 115.131 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -41.36 122.18 2.12 Favored Pre-proline 0 CA--C 1.549 0.911 0 C-N-CA 123.729 0.812 . . . . 0.0 111.099 164.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -40.8 -32.15 0.82 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 124.622 3.548 . . . . 0.0 116.014 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.4 p -50.56 -41.49 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 120.371 1.441 . . . . 0.0 111.484 174.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -74.36 -28.75 61.27 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 123.693 0.797 . . . . 0.0 111.349 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -57.32 -52.97 63.18 Favored 'General case' 0 C--N 1.344 0.346 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.081 162.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -56.83 -45.12 82.56 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.386 0.994 . . . . 0.0 110.291 -174.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.34 -61.15 2.68 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.251 1.02 . . . . 0.0 111.305 173.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 67.2 tp -57.75 -42.74 84.55 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.333 0.97 . . . . 0.0 112.162 -177.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.7 t -56.66 -53.64 55.31 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 124.757 1.223 . . . . 0.0 110.959 177.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -58.67 -46.83 86.35 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.937 0.495 . . . . 0.0 111.592 177.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 88.5 m -60.46 -39.96 89.45 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.77 0.828 . . . . 0.0 112.468 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.6 mt -61.59 -52.51 64.11 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 119.351 0.978 . . . . 0.0 110.664 173.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 17.9 mt -51.85 -47.49 64.39 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.526 0.73 . . . . 0.0 111.202 176.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.5 t -57.77 -50.13 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.21 1.004 . . . . 0.0 111.942 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.8 m -64.77 -37.05 86.3 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.21 0.914 . . . . 0.0 112.267 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.7 mt -64.03 -43.78 94.5 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.703 1.138 . . . . 0.0 111.954 172.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.86 -32.61 65.99 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 175.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.35 -6.13 22.65 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 175.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 -34.58 0.82 Allowed 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 -174.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.0 mp -67.21 158.4 81.77 Favored Pre-proline 0 CA--C 1.554 1.115 0 CA-C-N 119.338 0.972 . . . . 0.0 112.727 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -54.8 -32.99 79.39 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 123.927 3.084 . . . . 0.0 115.474 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.95 -53.39 0.2 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.537 1.135 . . . . 0.0 112.183 175.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 65.61 -32.03 0.15 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 127.135 2.174 . . . . 0.0 114.442 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -75.23 -5.23 43.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.011 1.725 . . . . 0.0 115.434 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.81 156.8 6.18 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 123.766 0.826 . . . . 0.0 111.01 -176.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.31 -46.35 22.1 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 121.271 1.314 . . . . 0.0 113.47 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.7 -12.31 60.39 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.5 t -104.3 -46.46 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 119.638 1.108 . . . . 0.0 111.801 175.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.573 ' CD2' HH21 ' B' ' 30' ' ' ARG . 4.1 t-80 -72.35 -40.23 67.53 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 121.234 1.834 . . . . 0.0 113.218 -175.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.93 -54.14 50.23 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.511 1.05 . . . . 0.0 110.321 166.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.4 t -49.9 -57.62 7.09 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.08 1.352 . . . . 0.0 113.438 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.63 -39.17 80.88 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 118.712 -0.661 . . . . 0.0 111.361 -176.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.42 -53.99 46.78 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.621 1.1 . . . . 0.0 112.022 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -33.3 75.52 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 119.082 -0.485 . . . . 0.0 111.269 178.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -62.71 -53.72 50.15 Favored 'General case' 0 CA--C 1.526 0.05 0 CA-C-N 119.123 0.874 . . . . 0.0 111.61 173.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 33.7 mt -60.89 -36.56 79.55 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.416 1.007 . . . . 0.0 112.175 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.14 -32.03 72.58 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.188 0.904 . . . . 0.0 113.411 171.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.7 m -77.31 -37.06 53.44 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.389 -1.445 . . . . 0.0 112.888 171.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.95 -51.64 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 119.135 0.879 . . . . 0.0 109.414 171.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 86.8 p -64.83 -40.64 95.52 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 118.238 -0.887 . . . . 0.0 113.196 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.3 m -48.94 -50.85 33.46 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.607 1.094 . . . . 0.0 111.203 169.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 91.6 t -65.88 -40.83 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 O-C-N 121.205 -0.935 . . . . 0.0 111.225 177.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -24.19 67.28 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 4.1 t -102.04 -17.25 16.15 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.687 1.195 . . . . 0.0 113.109 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 10.9 t -63.29 172.65 1.83 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.507 1.123 . . . . 0.0 112.372 165.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -125.72 127.09 45.67 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.317 1.447 . . . . 0.0 110.511 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -149.93 101.42 3.03 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.305 1.442 . . . . 0.0 109.921 -176.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 . . . . . 0 C--O 1.255 1.354 0 C-N-CA 127.353 2.261 . . . . 0.0 114.479 -175.699 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.301 2.4 p . . . . . 0 N--CA 1.51 2.529 0 CA-C-O 116.876 -1.535 . . . . 0.0 113.285 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 64.1 t60 13.5 85.36 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 128.145 2.578 . . . . 0.0 116.054 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.51 157.05 17.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.229 0.612 . . . . 0.0 110.841 177.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.562 ' HG1' ' H ' ' B' ' 7' ' ' GLU . 7.8 p -64.3 154.6 82.75 Favored Pre-proline 0 N--CA 1.48 1.046 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.498 165.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -54.21 -39.33 86.85 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 122.468 2.112 . . . . 0.0 113.633 174.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -67.11 -46.0 75.47 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.534 0.734 . . . . 0.0 111.839 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.562 ' H ' ' HG1' ' B' ' 4' ' ' THR . 0.9 OUTLIER -69.13 -38.86 79.07 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.791 178.646 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -54.23 -51.63 63.86 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.79 1.177 . . . . 0.0 110.745 168.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.6 t -54.87 -45.74 74.65 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.678 0.672 . . . . 0.0 111.331 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.418 ' HB1' HG21 ' B' ' 126' ' ' VAL . . . -56.69 -52.44 64.91 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.222 1.009 . . . . 0.0 113.128 177.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.1 p -66.46 -56.04 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.786 1.175 . . . . 0.0 112.168 176.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -67.36 -33.97 76.34 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.577 1.081 . . . . 0.0 112.686 -169.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.08 -38.27 78.92 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.69 1.132 . . . . 0.0 112.366 175.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.66 -39.8 88.34 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.852 -1.155 . . . . 0.0 110.748 172.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . 0.413 ' HE1' ' HB3' ' B' ' 72' ' ' SER . 0.2 OUTLIER -63.97 -6.97 7.04 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 115.197 1.555 . . . . 0.0 115.197 167.032 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.71 -39.73 8.64 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.93 1.252 . . . . 0.0 113.443 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.43 -10.33 38.39 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 175.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 p -53.28 139.24 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.502 1.121 . . . . 0.0 112.954 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -88.27 93.63 9.57 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 169.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.577 HG13 HD22 ' B' ' 68' ' ' LEU . 49.8 t -52.95 -39.02 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.457 1.103 . . . . 0.0 113.306 -174.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -72.04 -31.18 65.91 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -97.47 -42.36 7.75 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.116 0.871 . . . . 0.0 112.24 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -31.51 53.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 119.359 0.982 . . . . 0.0 111.269 168.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.15 -49.22 54.76 Favored Glycine 0 C--N 1.341 0.808 0 CA-C-N 120.072 1.306 . . . . 0.0 111.439 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.77 -47.95 88.43 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 117.362 0.581 . . . . 0.0 112.666 174.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -67.8 -35.29 78.38 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 117.439 -1.267 . . . . 0.0 112.462 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.14 -56.39 17.19 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 122.009 2.186 . . . . 0.0 110.715 175.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 tp -68.73 -36.78 78.85 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 121.634 -0.666 . . . . 0.0 111.479 -176.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.65 -51.6 57.66 Favored Glycine 0 CA--C 1.527 0.833 0 O-C-N 121.42 -0.8 . . . . 0.0 112.543 170.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.602 ' HA ' HG22 ' B' ' 33' ' ' VAL . 31.1 ttt180 -56.0 -23.36 32.3 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.795 1.638 . . . . 0.0 113.565 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.435 ' HA ' HG22 ' B' ' 109' ' ' VAL . 47.7 tp -65.09 -57.74 7.85 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.721 1.146 . . . . 0.0 110.256 167.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.18 -31.13 71.32 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.51 -0.744 . . . . 0.0 112.068 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.602 HG22 ' HA ' ' B' ' 30' ' ' ARG . 2.2 m -66.29 -8.0 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 176.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.9 -2.53 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 120.783 1.629 . . . . 0.0 112.69 171.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 56.38 41.5 0.79 Allowed Pre-proline 0 CA--C 1.564 1.499 0 O-C-N 120.941 -1.099 . . . . 0.0 113.247 -166.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -76.45 162.45 33.38 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.471 2.781 . . . . 0.0 113.06 -170.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 5.5 p90 -60.27 -25.37 65.65 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 120.91 -1.119 . . . . 0.0 113.805 168.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 42.2 p -55.72 -28.81 57.76 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.86 0.864 . . . . 0.0 112.948 172.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -58.45 -21.29 50.63 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.58 1.552 . . . . 0.0 113.208 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -27.8 18.2 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-N 120.297 1.408 . . . . 0.0 113.361 173.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.09 13.09 36.3 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.5 -8.6 27.56 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 176.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -49.95 -27.14 4.91 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.899 1.28 . . . . 0.0 114.349 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 49.6 p -96.18 -24.47 16.25 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.268 1.427 . . . . 0.0 114.34 172.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.61 -40.09 92.23 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.411 1.485 . . . . 0.0 112.009 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.98 -175.49 34.99 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 123.989 0.804 . . . . 0.0 114.846 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 43.61 -110.62 0.17 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.642 1.977 . . . . 0.0 111.997 -166.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 tt 60.38 -17.32 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 128.039 2.536 . . . . 0.0 117.504 174.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 14.1 t -49.38 -28.52 5.13 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.299 1.84 . . . . 0.0 113.58 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 81.4 p -125.5 150.77 68.9 Favored Pre-proline 0 N--CA 1.472 0.642 0 C-N-CA 123.173 0.589 . . . . 0.0 110.394 149.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -66.12 -26.08 50.41 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.493 2.129 . . . . 0.0 113.67 173.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -57.68 -38.85 75.84 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.838 -1.164 . . . . 0.0 111.323 167.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.61 -38.35 77.21 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 118.288 -0.863 . . . . 0.0 112.528 170.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.6 -41.44 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 CA-C-N 121.289 1.859 . . . . 0.0 113.006 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 25.3 ptp -77.77 -18.48 56.39 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 177.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -96.17 -23.43 17.22 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.454 1.026 . . . . 0.0 114.764 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -52.49 117.13 9.96 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 126.534 1.934 . . . . 0.0 112.012 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -47.7 -40.39 31.04 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.985 3.123 . . . . 0.0 114.582 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -65.04 -41.84 94.84 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.61 0.764 . . . . 0.0 111.897 176.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 86.0 t -69.09 -34.62 64.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 119.54 1.064 . . . . 0.0 111.866 175.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -64.4 -45.7 86.5 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 120.299 1.409 . . . . 0.0 111.628 170.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.39 -49.89 75.07 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.236 1.014 . . . . 0.0 112.789 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -33.18 75.04 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.68 -1.262 . . . . 0.0 112.925 173.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.31 -53.03 43.5 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 124.192 0.901 . . . . 0.0 111.899 167.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.6 -40.34 75.13 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 118.025 0.912 . . . . 0.0 112.463 172.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -67.14 -54.89 17.11 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.293 1.037 . . . . 0.0 113.413 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 17.6 m -59.18 -36.76 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 120.317 1.417 . . . . 0.0 111.452 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.577 HD22 HG13 ' B' ' 20' ' ' VAL . 7.0 tt -66.03 -41.24 91.16 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.507 1.123 . . . . 0.0 111.944 172.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.22 -37.08 78.56 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.164 1.364 . . . . 0.0 113.323 176.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.59 -44.55 93.68 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.609 -0.936 . . . . 0.0 112.376 169.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -59.72 -43.16 94.27 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 120.889 -1.132 . . . . 0.0 112.496 173.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' SER . . . . . 0.413 ' HB3' ' HE1' ' B' ' 15' ' ' TRP . 94.6 p -68.98 -40.39 78.85 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.711 1.141 . . . . 0.0 112.847 177.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -57.12 -34.75 68.67 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.889 0.768 . . . . 0.0 111.584 167.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.78 -60.66 8.33 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.664 1.126 . . . . 0.0 112.204 169.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.85 -29.95 69.82 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.059 1.43 . . . . 0.0 114.005 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.94 -27.58 64.87 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 172.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -143.73 49.46 1.39 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.555 1.542 . . . . 0.0 112.716 -170.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.08 -20.81 56.79 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.836 -1.165 . . . . 0.0 113.724 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -66.19 -24.27 66.6 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.135 1.374 . . . . 0.0 114.235 173.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -88.07 -73.28 0.49 Allowed 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 118.924 0.784 . . . . 0.0 111.662 -173.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 50.9 22.17 1.12 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 175.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -147.35 -61.02 0.28 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 126.072 1.749 . . . . 0.0 110.355 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.51 -30.26 60.49 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.323 0.964 . . . . 0.0 114.337 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -28.73 66.14 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.294 1.438 . . . . 0.0 113.522 174.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -122.69 12.35 9.89 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.503 1.121 . . . . 0.0 113.391 -174.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.34 -30.08 66.44 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 120.021 1.282 . . . . 0.0 114.357 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 20.7 p -71.22 -39.76 71.53 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.243 1.017 . . . . 0.0 112.366 170.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 16.9 mt -74.25 -40.12 62.57 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.743 1.217 . . . . 0.0 111.588 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.402 ' HA ' ' CE1' ' B' ' 92' ' ' HIS . 98.4 p -59.37 -52.66 64.68 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 123.348 0.659 . . . . 0.0 109.408 173.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -56.66 -45.54 81.61 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.985 0.914 . . . . 0.0 113.305 174.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.5 -64.13 0.97 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.139 0.882 . . . . 0.0 111.469 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' HIS . . . . . 0.402 ' CE1' ' HA ' ' B' ' 89' ' ' SER . 6.3 p-80 -72.27 -19.72 61.64 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 118.107 -0.949 . . . . 0.0 112.645 -174.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 1.3 p -88.06 -27.61 21.87 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.517 1.508 . . . . 0.0 114.391 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -114.98 -30.67 6.32 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.741 1.155 . . . . 0.0 112.82 -172.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -27.51 35.49 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.419 0.687 . . . . 0.0 112.487 170.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 6.2 mt -129.3 -36.33 1.72 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.324 1.05 . . . . 0.0 113.818 -173.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 49.33 25.65 1.34 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.097 2.159 . . . . 0.0 115.843 -171.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 2.8 m -59.01 143.05 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.378 1.071 . . . . 0.0 113.308 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.64 141.66 97.93 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 125.878 1.671 . . . . 0.0 114.579 -169.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . 0.422 ' HA ' ' CE2' ' B' ' 103' ' ' PHE . 86.5 Cg_exo -51.45 -35.24 54.4 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 124.124 3.216 . . . . 0.0 117.832 -177.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -58.57 -27.03 64.22 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.778 -1.201 . . . . 0.0 112.924 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -61.18 -37.7 83.87 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.699 0.8 . . . . 0.0 111.712 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' B' ' 100' ' ' PRO . 1.0 OUTLIER -67.05 -47.19 72.11 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.719 0.808 . . . . 0.0 110.223 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 60.8 mtm-85 -56.94 -46.43 82.07 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.925 174.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 mt -54.39 -50.81 66.67 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.716 0.806 . . . . 0.0 113.061 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 tt -58.27 -41.53 84.51 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.401 0.68 . . . . 0.0 111.088 174.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -60.64 -48.94 83.74 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 121.076 -1.015 . . . . 0.0 114.673 174.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -59.12 -43.4 91.93 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.313 -1.11 . . . . 0.0 110.46 174.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' B' ' 31' ' ' LEU . 9.7 t -58.12 -47.96 85.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 124.202 1.001 . . . . 0.0 112.194 174.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 35.5 tp -56.07 -52.5 64.06 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 119.035 0.834 . . . . 0.0 110.959 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 5.7 m -64.56 -29.82 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 O-C-N 121.463 -0.773 . . . . 0.0 111.441 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.01 -35.57 64.4 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.361 -0.837 . . . . 0.0 112.814 176.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.88 -36.45 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 119.79 -1.819 . . . . 0.0 111.529 169.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.68 -37.0 85.72 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.532 0.605 . . . . 0.0 110.907 174.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.09 75.64 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 170.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -66.05 -59.49 3.75 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.08 0.855 . . . . 0.0 112.005 170.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -68.27 -28.28 67.06 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -171.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -128.74 22.69 5.84 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.12 0.968 . . . . 0.0 113.093 -170.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -43.89 -36.8 3.85 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.65 1.595 . . . . 0.0 116.589 -176.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -60.59 -24.29 65.35 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 125.598 1.559 . . . . 0.0 114.335 174.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -122.14 -8.86 8.72 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.188 2.195 . . . . 0.0 112.491 -174.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -80.51 70.06 7.13 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.439 1.496 . . . . 0.0 112.211 -172.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 32.4 p -63.59 160.3 44.86 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.402 1.081 . . . . 0.0 113.045 -175.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -47.4 -52.61 7.66 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.889 2.392 . . . . 0.0 115.142 167.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.64 -26.95 68.94 Favored 'Trans proline' 0 C--N 1.353 0.782 0 CA-C-N 121.522 1.579 . . . . 0.0 113.701 177.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . 0.418 HG21 ' HB1' ' B' ' 10' ' ' ALA . 0.5 OUTLIER -58.47 -49.95 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 120.526 1.512 . . . . 0.0 110.835 171.271 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -36.95 85.99 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.754 -1.216 . . . . 0.0 111.857 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.12 94.84 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 171.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.71 -53.43 56.17 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.844 0.858 . . . . 0.0 111.385 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -55.72 -44.4 77.45 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 122.005 -0.435 . . . . 0.0 111.576 172.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -58.48 -40.23 82.19 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 176.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -63.4 -42.96 98.79 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 120.789 1.631 . . . . 0.0 113.401 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 2.8 p -70.44 -36.06 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 CA-C-N 119.555 1.07 . . . . 0.0 112.183 173.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 9.5 t -57.6 -49.16 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.287 0.949 . . . . 0.0 112.027 170.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.67 -46.81 86.39 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.797 0.839 . . . . 0.0 110.647 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.44 -54.14 25.41 Favored Glycine 0 CA--C 1.531 1.089 0 CA-C-O 119.587 -0.563 . . . . 0.0 112.922 169.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.83 -40.73 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 118.609 1.204 . . . . 0.0 112.548 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.11 71.84 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.562 -0.711 . . . . 0.0 111.945 177.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -61.95 -36.22 80.78 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.862 0.755 . . . . 0.0 112.138 174.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.69 -43.24 84.94 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.15 0.98 . . . . 0.0 112.377 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -43.31 99.11 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.324 -0.86 . . . . 0.0 110.047 171.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.23 -4.57 5.37 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 174.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -54.48 -39.57 67.63 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.142 -1.599 . . . . 0.0 113.375 -177.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -66.87 -10.55 49.46 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -98.76 -7.16 28.05 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.609 1.164 . . . . 0.0 113.828 -168.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 . . . . . 0 C--O 1.253 1.285 0 C-N-CA 124.511 1.124 . . . . 0.0 113.749 -163.224 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 30.2 m . . . . . 0 N--CA 1.516 2.854 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 mp -142.82 -161.76 1.31 Allowed 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 125.3 1.44 . . . . 0.0 111.159 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 96.4 p -115.5 153.14 47.7 Favored Pre-proline 0 N--CA 1.482 1.131 0 CA-C-N 120.331 1.423 . . . . 0.0 112.751 -172.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.42 -35.83 22.28 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.884 1.723 . . . . 0.0 113.686 -162.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.65 -34.15 77.54 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 177.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.45 -44.26 79.1 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 118.951 0.796 . . . . 0.0 111.324 174.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -54.78 -48.0 73.25 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.635 0.652 . . . . 0.0 111.034 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 69.3 m -54.19 -47.91 71.55 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.738 0.815 . . . . 0.0 112.187 176.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -78.31 -28.44 47.4 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.89 -48.89 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.551 1.068 . . . . 0.0 110.294 167.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -58.18 -46.91 84.94 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 118.836 0.743 . . . . 0.0 111.284 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.89 -53.33 59.62 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.228 0.611 . . . . 0.0 112.163 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.67 -52.03 67.44 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.85 0.86 . . . . 0.0 112.034 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -65.85 -26.9 67.86 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.02 -40.84 97.55 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.556 1.074 . . . . 0.0 113.689 169.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 47.1 mmtt -67.85 -37.88 82.43 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 118.594 1.197 . . . . 0.0 111.595 173.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 67.2 t -67.37 -24.35 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.922 1.689 . . . . 0.0 113.679 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.37 122.07 1.18 Allowed Glycine 0 CA--C 1.542 1.766 0 C-N-CA 125.137 1.351 . . . . 0.0 114.034 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 84.25 -31.85 0.07 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 129.507 3.123 . . . . 0.0 114.676 -175.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -88.1 -6.36 57.95 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.524 1.13 . . . . 0.0 113.19 170.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . 0.439 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -46.46 -52.98 12.04 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.813 1.645 . . . . 0.0 113.629 -176.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.42 -36.56 89.1 Favored Glycine 0 N--CA 1.47 0.964 0 O-C-N 121.753 -0.592 . . . . 0.0 113.947 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -57.61 -43.79 84.99 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.376 1.47 . . . . 0.0 111.754 170.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -74.06 -36.56 64.35 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.71 -1.244 . . . . 0.0 113.564 176.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.37 -49.39 69.1 Favored Glycine 0 CA--C 1.529 0.948 0 CA-C-N 119.396 0.998 . . . . 0.0 111.729 168.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.99 -50.38 73.59 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.151 0.98 . . . . 0.0 112.118 175.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -66.14 -33.58 76.09 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.136 -0.978 . . . . 0.0 112.321 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.16 -38.05 78.55 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.094 -1.004 . . . . 0.0 112.593 175.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 55.7 mt -62.69 -47.95 81.43 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.757 0.823 . . . . 0.0 111.153 169.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -58.97 -45.91 89.38 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.24 1.016 . . . . 0.0 111.519 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -51.53 -55.46 18.89 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.934 1.294 . . . . 0.0 111.793 169.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -54.38 -41.8 69.62 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.468 1.107 . . . . 0.0 112.617 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -65.38 -24.57 67.26 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 176.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -115.12 -13.3 11.83 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -173.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 88.0 p -75.79 -40.17 55.64 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.216 -0.927 . . . . 0.0 111.739 161.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -131.96 81.46 62.34 Favored Pre-proline 0 CA--C 1.542 0.666 0 C-N-CA 125.956 1.702 . . . . 0.0 110.82 -176.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -52.13 -16.06 4.21 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 124.703 3.602 . . . . 0.0 116.904 177.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 7.4 p -53.35 -44.27 68.38 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.403 1.081 . . . . 0.0 112.296 167.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 63.1 p -59.72 -27.8 66.78 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -177.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -53.59 -35.09 60.47 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 119.41 1.005 . . . . 0.0 112.034 171.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -20.8 66.48 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 178.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -18.28 65.27 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.373 -0.83 . . . . 0.0 113.066 177.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.11 79.0 10.12 Favored Pre-proline 0 CA--C 1.552 1.03 0 CA-C-N 119.4 1.0 . . . . 0.0 112.236 174.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -72.28 24.15 0.27 Allowed 'Trans proline' 0 CA--C 1.552 1.395 1 C-N-CA 125.317 4.011 . . . . 0.0 115.701 -168.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.28 -11.19 4.64 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.872 1.669 . . . . 0.0 113.033 176.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -76.94 123.6 26.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.759 0.824 . . . . 0.0 112.133 -168.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -81.9 62.94 5.92 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.088 0.955 . . . . 0.0 111.561 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 pp -65.59 22.29 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.723 2.009 . . . . 0.0 115.779 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 22.6 m -57.93 160.25 4.87 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.326 1.85 . . . . 0.0 112.836 173.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -57.76 123.93 17.39 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.129 -0.982 . . . . 0.0 110.991 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.01 7.26 66.1 Favored Glycine 0 CA--C 1.539 1.591 0 CA-C-O 119.015 -0.88 . . . . 0.0 115.157 -175.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 45.6 t -53.79 108.08 0.32 Allowed 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.091 1.445 . . . . 0.0 114.181 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.83 -32.99 64.07 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.066 0.946 . . . . 0.0 112.578 170.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -66.06 -44.29 84.96 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.108 0.563 . . . . 0.0 111.209 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.05 -35.7 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-O 118.503 -0.761 . . . . 0.0 111.483 174.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -63.45 -47.12 83.18 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 120.203 1.365 . . . . 0.0 111.895 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.94 -51.57 56.19 Favored Glycine 0 N--CA 1.471 1.03 0 C-N-CA 124.146 0.879 . . . . 0.0 112.313 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -57.89 -41.79 83.29 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.783 -0.833 . . . . 0.0 111.675 173.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.68 -51.32 49.41 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 124.627 1.108 . . . . 0.0 113.763 172.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -54.3 -43.86 71.47 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 118.674 1.237 . . . . 0.0 112.386 172.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -65.95 -48.48 71.18 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 118.918 0.781 . . . . 0.0 112.35 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 79.1 t -54.67 -47.66 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.168 0.895 . . . . 0.0 111.02 172.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . 0.439 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -68.0 -40.51 83.0 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.09 -37.27 86.83 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.182 -0.949 . . . . 0.0 111.887 174.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.3 79.84 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.487 -0.758 . . . . 0.0 112.842 168.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 mt -63.47 -45.28 91.53 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.207 0.912 . . . . 0.0 111.624 168.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 36.6 m -55.29 -45.78 76.21 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 120.375 1.443 . . . . 0.0 112.057 172.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -61.51 -44.08 97.72 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.945 1.298 . . . . 0.0 112.189 175.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.02 -50.33 71.18 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.552 -0.718 . . . . 0.0 111.479 170.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 85.6 t -60.14 -42.26 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.905 0.882 . . . . 0.0 111.977 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.16 -23.69 67.41 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -134.08 24.95 3.91 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.005 1.322 . . . . 0.0 112.739 -171.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 12.6 p -60.11 -25.76 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -168.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -71.9 -21.67 61.6 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 120.901 -1.125 . . . . 0.0 113.855 173.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -128.27 24.25 5.93 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 127.468 2.307 . . . . 0.0 111.86 -173.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 24.2 ttp -51.87 -36.25 28.57 Favored Pre-proline 0 CA--C 1.549 0.93 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 -171.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -69.43 46.72 0.47 Allowed 'Trans proline' 0 CA--C 1.554 1.525 0 C-N-CA 124.331 3.354 . . . . 0.0 114.517 168.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -157.98 -39.1 0.07 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.636 2.774 . . . . 0.0 109.45 168.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.19 -36.47 77.7 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 176.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 65.9 mt -100.29 9.22 43.02 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -175.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 57.1 m -58.01 -31.78 67.3 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -177.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.2 -31.51 70.22 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.74 -1.225 . . . . 0.0 112.959 171.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mt -81.33 -35.04 31.43 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.336 1.054 . . . . 0.0 111.691 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 1.1 p -59.64 -43.85 93.71 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 118.807 -0.616 . . . . 0.0 110.331 167.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.66 -49.44 75.04 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.458 1.503 . . . . 0.0 112.402 173.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 tp -47.81 -67.19 0.3 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.777 1.231 . . . . 0.0 110.585 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -27.64 68.57 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.921 0.782 . . . . 0.0 113.014 -171.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.38 -41.67 69.38 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.712 0.805 . . . . 0.0 111.829 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -73.02 -45.59 56.87 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.462 0.705 . . . . 0.0 112.617 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.6 157.5 32.07 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.224 1.41 . . . . 0.0 112.243 -178.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 41.6 mt 51.68 68.47 0.8 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.795 1.238 . . . . 0.0 113.19 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 15.7 ttm-85 -62.88 13.49 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 118.061 2.615 . . . . 0.0 118.061 -170.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 t 25.15 86.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 129.534 3.134 . . . . 0.0 115.087 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -41.6 122.21 2.26 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 123.7 0.8 . . . . 0.0 111.094 164.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -40.64 -32.1 0.76 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 124.641 3.56 . . . . 0.0 115.983 174.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 4.4 p -51.0 -41.33 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 120.232 1.378 . . . . 0.0 111.233 174.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -74.36 -28.74 61.27 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 123.702 0.801 . . . . 0.0 111.331 -177.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -57.43 -52.97 63.24 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.069 163.147 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -56.82 -45.1 82.51 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.481 1.037 . . . . 0.0 110.343 -174.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 87.0 mt -57.38 -61.06 2.75 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.17 0.988 . . . . 0.0 111.415 173.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 67.8 tp -57.91 -42.96 85.84 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.32 0.964 . . . . 0.0 112.076 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 32.9 t -56.8 -52.22 65.89 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.585 1.154 . . . . 0.0 111.451 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -59.89 -46.38 89.49 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 122.761 0.425 . . . . 0.0 111.62 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 86.6 m -60.33 -40.29 90.13 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.924 0.889 . . . . 0.0 112.483 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 41.3 mt -61.4 -52.55 64.13 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 119.543 1.065 . . . . 0.0 110.8 173.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 17.9 mt -51.72 -47.77 63.87 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.616 0.766 . . . . 0.0 111.24 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 31.5 t -57.57 -50.16 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 C-N-CA 124.291 1.036 . . . . 0.0 112.029 175.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 20.2 m -64.81 -36.94 85.95 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.183 0.901 . . . . 0.0 112.338 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 11.9 mt -64.1 -43.75 94.4 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.584 1.084 . . . . 0.0 112.01 172.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.99 -32.43 66.1 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.36 -6.31 23.66 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 115.408 1.632 . . . . 0.0 115.408 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.64 -34.48 0.83 Allowed 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 -174.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 6.9 mp -67.34 158.43 82.02 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 119.263 0.938 . . . . 0.0 112.696 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.73 -32.95 78.49 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 124.042 3.161 . . . . 0.0 115.402 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -148.13 -53.4 0.19 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.552 1.141 . . . . 0.0 112.153 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 65.54 -31.99 0.15 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.235 2.214 . . . . 0.0 114.304 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -75.04 -5.34 43.57 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.964 1.706 . . . . 0.0 115.471 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.67 156.75 6.02 Favored Pre-proline 0 N--CA 1.481 1.081 0 C-N-CA 123.724 0.81 . . . . 0.0 111.025 -176.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.36 -46.19 22.73 Favored 'Trans proline' 0 CA--C 1.528 0.21 0 C-N-CA 121.307 1.338 . . . . 0.0 113.43 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.92 -12.16 60.29 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -178.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 55.1 t -104.42 -46.53 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 119.662 1.119 . . . . 0.0 111.844 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 122' ' ' HIS . . . . . 0.572 ' CD2' HH21 ' D' ' 30' ' ' ARG . 4.0 t-80 -72.02 -40.44 68.44 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 121.276 1.853 . . . . 0.0 113.303 -175.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.94 -54.22 49.42 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 119.504 1.047 . . . . 0.0 110.166 166.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 13.4 t -49.81 -57.62 7.0 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.027 1.331 . . . . 0.0 113.418 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.57 -39.23 81.09 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.747 -0.644 . . . . 0.0 111.391 -176.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.44 -53.88 48.29 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.638 1.108 . . . . 0.0 112.109 176.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -33.33 75.57 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 119.282 -0.389 . . . . 0.0 111.35 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -62.76 -53.7 50.38 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 119.06 0.846 . . . . 0.0 111.58 173.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 34.3 mt -60.72 -36.58 79.2 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.452 1.023 . . . . 0.0 112.188 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.36 -31.84 72.55 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 171.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 59.5 m -77.36 -37.03 53.07 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.509 -1.37 . . . . 0.0 112.932 171.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 74.4 t -55.95 -51.59 59.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 119.172 0.896 . . . . 0.0 109.602 171.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 87.0 p -64.78 -40.51 95.37 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 176.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 1.3 m -49.07 -50.74 35.25 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.522 1.056 . . . . 0.0 111.233 169.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.01 -40.83 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.028 -1.045 . . . . 0.0 111.18 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.3 -24.35 67.26 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 179.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 4.2 t -101.99 -17.29 16.17 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.724 1.21 . . . . 0.0 113.027 178.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 10.8 t -63.12 172.62 1.74 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.554 1.142 . . . . 0.0 112.399 165.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -125.84 127.23 45.76 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.252 1.421 . . . . 0.0 110.43 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -149.96 101.41 3.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.242 1.417 . . . . 0.0 109.884 -176.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 . . . . . 0 C--O 1.256 1.421 0 C-N-CA 127.398 2.279 . . . . 0.0 114.42 -175.753 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.301 2.4 p . . . . . 0 N--CA 1.508 2.461 0 CA-C-O 116.83 -1.557 . . . . 0.0 113.318 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 63.7 t60 13.19 85.42 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 128.21 2.604 . . . . 0.0 116.138 -176.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.45 157.13 17.62 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.219 0.607 . . . . 0.0 110.881 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.562 ' HG1' ' H ' ' D' ' 7' ' ' GLU . 8.2 p -64.33 154.92 82.06 Favored Pre-proline 0 N--CA 1.48 1.071 0 CA-C-O 118.812 -0.613 . . . . 0.0 109.473 165.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -54.54 -39.12 89.72 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.327 2.018 . . . . 0.0 113.721 174.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -67.16 -46.0 75.31 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.544 0.738 . . . . 0.0 111.87 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' GLU . . . . . 0.562 ' H ' ' HG1' ' D' ' 4' ' ' THR . 0.9 OUTLIER -69.06 -38.76 79.26 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.404 -0.808 . . . . 0.0 111.848 178.565 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -54.44 -51.47 64.86 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.755 1.161 . . . . 0.0 110.651 168.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 22.6 t -55.01 -45.8 75.15 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.722 0.692 . . . . 0.0 111.235 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' ALA . . . . . 0.42 ' HB1' HG21 ' D' ' 126' ' ' VAL . . . -56.61 -52.48 64.7 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.283 1.033 . . . . 0.0 113.117 177.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.47 -56.15 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 CA-C-N 119.658 1.117 . . . . 0.0 112.155 176.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 4.3 m -67.33 -33.94 76.31 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.58 1.082 . . . . 0.0 112.811 -168.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.4 78.87 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.451 1.023 . . . . 0.0 112.412 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.53 -39.59 88.68 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.153 -0.967 . . . . 0.0 110.829 172.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' TRP . . . . . 0.41 ' HE1' ' HB3' ' D' ' 72' ' ' SER . 0.3 OUTLIER -64.36 -6.53 7.27 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 167.54 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.77 -40.05 8.41 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.173 1.368 . . . . 0.0 113.447 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.17 -10.27 39.39 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 175.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 p -53.22 139.08 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 124.644 1.178 . . . . 0.0 113.051 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -88.34 93.35 9.49 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.41 -0.806 . . . . 0.0 108.859 169.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . 0.592 HG12 HD23 ' D' ' 68' ' ' LEU . 50.2 t -52.73 -39.13 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 124.496 1.119 . . . . 0.0 113.249 -174.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -72.22 -29.69 64.2 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -98.92 -42.35 7.18 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.015 0.825 . . . . 0.0 112.18 -178.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.5 -31.47 53.72 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.55 0 CA-C-N 119.573 1.079 . . . . 0.0 111.203 168.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.07 -49.1 56.14 Favored Glycine 0 N--CA 1.468 0.807 0 CA-C-N 120.077 1.308 . . . . 0.0 111.551 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.93 -47.88 88.81 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 117.248 0.524 . . . . 0.0 112.781 174.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -67.6 -35.49 79.06 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 117.411 -1.28 . . . . 0.0 112.531 175.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.17 -56.25 18.29 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 121.939 2.154 . . . . 0.0 110.744 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -68.72 -36.94 79.08 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.762 -0.587 . . . . 0.0 111.464 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.74 -51.41 58.84 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-N 118.945 0.793 . . . . 0.0 112.404 170.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' ARG . . . . . 0.603 ' HA ' HG23 ' D' ' 33' ' ' VAL . 31.3 ttt180 -56.16 -23.2 33.36 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.774 1.629 . . . . 0.0 113.743 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . 0.415 ' HA ' HG23 ' D' ' 109' ' ' VAL . 48.0 tp -65.09 -57.81 7.67 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.678 1.126 . . . . 0.0 110.22 167.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.09 -31.35 71.77 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.503 -0.748 . . . . 0.0 112.072 -175.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' VAL . . . . . 0.603 HG23 ' HA ' ' D' ' 30' ' ' ARG . 2.2 m -66.2 -7.82 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 176.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 t -79.01 -2.54 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 CA-C-N 120.828 1.649 . . . . 0.0 112.637 171.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 56.19 41.64 0.83 Allowed Pre-proline 0 CA--C 1.564 1.496 0 O-C-N 120.923 -1.111 . . . . 0.0 113.264 -165.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -76.45 162.51 33.32 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 123.412 2.741 . . . . 0.0 113.199 -170.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 5.8 p90 -60.24 -25.35 65.59 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 168.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 41.5 p -55.85 -28.64 57.41 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.85 0.86 . . . . 0.0 113.058 172.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -58.33 -21.45 49.54 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.543 1.537 . . . . 0.0 113.284 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -27.73 17.97 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 120.196 1.362 . . . . 0.0 113.333 173.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.12 13.01 36.53 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.758 1.223 . . . . 0.0 114.201 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -8.73 28.03 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 176.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -49.66 -27.31 4.54 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.937 1.295 . . . . 0.0 114.387 179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 51.0 p -96.15 -24.49 16.25 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.236 1.414 . . . . 0.0 114.322 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.54 -40.14 92.56 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.227 1.411 . . . . 0.0 112.013 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.06 -175.53 35.22 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.03 0.824 . . . . 0.0 114.903 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 43.58 -110.57 0.17 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.58 1.952 . . . . 0.0 112.025 -166.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 tt 60.36 -17.4 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 128.082 2.553 . . . . 0.0 117.564 174.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 13.9 t -49.33 -28.51 4.97 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.289 1.836 . . . . 0.0 113.646 177.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 81.1 p -125.45 150.73 68.63 Favored Pre-proline 0 N--CA 1.471 0.578 0 C-N-CA 123.216 0.606 . . . . 0.0 110.482 149.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -66.08 -26.05 50.69 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.601 2.201 . . . . 0.0 113.655 173.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.68 -38.84 75.86 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 120.732 -1.23 . . . . 0.0 111.372 167.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.59 -38.35 77.31 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 118.335 -0.84 . . . . 0.0 112.63 170.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -41.47 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 CA-C-N 121.178 1.808 . . . . 0.0 113.034 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 25.3 ptp -77.75 -18.43 56.5 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -96.23 -23.35 17.23 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 124.399 1.0 . . . . 0.0 114.724 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -52.54 117.17 10.11 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 126.572 1.949 . . . . 0.0 112.0 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -47.63 -40.54 30.62 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.995 3.13 . . . . 0.0 114.603 175.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -65.02 -41.89 94.91 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.443 0.697 . . . . 0.0 111.842 176.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 85.7 t -68.97 -34.57 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 119.616 1.098 . . . . 0.0 111.904 175.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -64.38 -45.66 86.73 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 120.237 1.38 . . . . 0.0 111.659 170.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.42 -49.97 74.7 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.176 0.99 . . . . 0.0 112.794 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -33.11 74.85 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.627 -1.295 . . . . 0.0 113.12 173.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.32 -53.11 42.98 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 124.264 0.935 . . . . 0.0 111.853 167.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.47 -40.45 74.91 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 118.028 0.914 . . . . 0.0 112.471 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -67.19 -54.86 17.21 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.242 1.017 . . . . 0.0 113.437 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 17.3 m -58.91 -36.93 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 120.371 1.442 . . . . 0.0 111.605 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . 0.592 HD23 HG12 ' D' ' 20' ' ' VAL . 7.0 tt -65.96 -41.28 91.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.345 1.058 . . . . 0.0 111.883 173.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.09 -37.2 78.36 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.149 1.357 . . . . 0.0 113.355 176.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.67 93.56 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.675 -0.897 . . . . 0.0 112.207 170.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -59.62 -43.28 93.85 Favored 'General case' 0 CA--C 1.55 0.954 0 O-C-N 120.791 -1.193 . . . . 0.0 112.533 173.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 72' ' ' SER . . . . . 0.41 ' HB3' ' HE1' ' D' ' 15' ' ' TRP . 93.5 p -68.86 -40.54 79.28 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.848 1.204 . . . . 0.0 112.843 177.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -56.95 -34.96 68.55 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.891 0.768 . . . . 0.0 111.578 167.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.61 -60.61 8.37 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 124.692 1.139 . . . . 0.0 112.259 169.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.0 -29.92 69.98 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.115 1.457 . . . . 0.0 113.931 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.0 -27.51 64.76 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 172.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -143.66 49.27 1.4 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.608 1.563 . . . . 0.0 112.731 -170.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 90.6 mt -59.06 -20.78 56.48 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 120.868 -1.145 . . . . 0.0 113.635 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -66.14 -24.35 66.65 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.121 1.368 . . . . 0.0 114.26 173.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -87.92 -73.37 0.49 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.863 0.756 . . . . 0.0 111.779 -173.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 50.91 22.16 1.12 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 175.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -147.3 -61.08 0.28 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 126.254 1.822 . . . . 0.0 110.483 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.57 -30.32 60.28 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.431 1.015 . . . . 0.0 114.273 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.73 -28.66 66.05 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.331 1.452 . . . . 0.0 113.524 173.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -122.72 12.15 9.85 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.458 1.103 . . . . 0.0 113.444 -174.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.21 -30.24 66.32 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 21.0 p -71.17 -39.66 71.73 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.161 0.984 . . . . 0.0 112.454 170.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 16.9 mt -74.27 -40.0 62.61 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.714 1.206 . . . . 0.0 111.637 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 98.4 p -59.42 -52.77 64.18 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 123.347 0.659 . . . . 0.0 109.381 173.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -56.63 -45.52 81.49 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.913 0.885 . . . . 0.0 113.359 174.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 34.6 tp -56.44 -64.13 0.97 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.261 -0.9 . . . . 0.0 111.53 177.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -72.31 -19.69 61.62 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 118.091 -0.957 . . . . 0.0 112.622 -174.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 1.3 p -88.09 -27.61 21.85 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 120.593 1.542 . . . . 0.0 114.429 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -114.96 -30.62 6.34 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.689 1.131 . . . . 0.0 112.786 -172.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -27.33 35.24 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.339 0.656 . . . . 0.0 112.58 170.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 6.2 mt -129.45 -36.19 1.69 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.519 1.128 . . . . 0.0 113.898 -173.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 49.17 25.67 1.25 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.124 2.17 . . . . 0.0 115.852 -171.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 2.8 m -59.01 143.18 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.36 1.064 . . . . 0.0 113.266 -177.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.77 141.66 97.82 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 125.777 1.631 . . . . 0.0 114.564 -169.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 100' ' ' PRO . . . . . 0.418 ' HA ' ' CE2' ' D' ' 103' ' ' PHE . 85.4 Cg_exo -51.38 -35.39 54.16 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 124.243 3.296 . . . . 0.0 117.86 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -58.43 -27.08 64.01 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 120.572 -1.33 . . . . 0.0 112.998 176.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -61.09 -37.75 83.82 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.716 0.806 . . . . 0.0 111.766 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 103' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' D' ' 100' ' ' PRO . 1.1 m-30 -67.08 -47.24 71.85 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.682 0.793 . . . . 0.0 110.192 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 60.6 mtm-85 -56.85 -46.52 81.69 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 118.618 -0.706 . . . . 0.0 110.868 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 mt -54.41 -50.82 66.7 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.729 0.811 . . . . 0.0 112.953 176.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 tt -58.14 -41.56 83.96 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.4 0.68 . . . . 0.0 111.151 174.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -60.72 -48.87 84.08 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 121.058 -1.026 . . . . 0.0 114.773 174.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -58.99 -43.66 91.48 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.307 -1.113 . . . . 0.0 110.441 174.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 109' ' ' VAL . . . . . 0.415 HG23 ' HA ' ' D' ' 31' ' ' LEU . 10.0 t -57.89 -47.92 85.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 124.154 0.982 . . . . 0.0 112.341 174.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 35.7 tp -56.1 -52.5 64.09 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 118.899 0.772 . . . . 0.0 110.981 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 5.8 m -64.57 -29.79 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 O-C-N 121.484 -0.76 . . . . 0.0 111.501 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.97 -35.51 64.49 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.232 -0.918 . . . . 0.0 112.933 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.78 -36.86 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 119.733 -1.855 . . . . 0.0 111.248 169.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.56 -37.08 85.96 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.581 0.628 . . . . 0.0 110.818 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.61 -35.1 75.31 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 170.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -66.09 -59.65 3.58 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.025 0.829 . . . . 0.0 111.787 170.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -68.31 -28.27 67.03 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -171.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -128.9 22.74 5.76 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.231 1.012 . . . . 0.0 113.053 -170.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -43.68 -37.0 3.68 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 125.661 1.601 . . . . 0.0 116.556 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -60.82 -24.18 65.66 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.602 1.561 . . . . 0.0 114.33 175.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -122.32 -8.71 8.65 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.418 2.287 . . . . 0.0 112.593 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -80.53 69.74 7.08 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.491 1.517 . . . . 0.0 112.282 -173.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 32.7 p -63.46 160.34 43.38 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 124.343 1.057 . . . . 0.0 112.973 -175.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -47.49 -52.75 7.47 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 123.018 2.478 . . . . 0.0 115.049 167.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.45 -26.84 70.48 Favored 'Trans proline' 0 C--N 1.355 0.887 0 CA-C-N 121.573 1.598 . . . . 0.0 113.712 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 126' ' ' VAL . . . . . 0.42 HG21 ' HB1' ' D' ' 10' ' ' ALA . 0.5 OUTLIER -58.48 -50.24 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 120.496 1.498 . . . . 0.0 110.919 171.12 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.87 -36.21 83.62 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.208 -0.932 . . . . 0.0 112.082 -178.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.76 92.54 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 171.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.68 -53.54 54.79 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.068 0.947 . . . . 0.0 111.402 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -55.88 -44.4 78.09 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 122.07 -0.394 . . . . 0.0 111.627 173.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -58.22 -40.38 81.49 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.797 -1.189 . . . . 0.0 113.845 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -63.45 -43.08 98.42 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 120.803 1.638 . . . . 0.0 113.307 176.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 2.9 p -70.42 -35.84 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 CA-C-N 119.607 1.094 . . . . 0.0 112.277 174.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 8.8 t -57.89 -49.07 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.284 0.947 . . . . 0.0 111.882 170.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.69 -46.59 86.93 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.697 0.799 . . . . 0.0 110.732 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.7 -54.06 26.58 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.555 -0.581 . . . . 0.0 112.89 169.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -40.69 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 118.586 1.193 . . . . 0.0 112.469 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.1 -48.01 72.32 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.482 -0.761 . . . . 0.0 112.037 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -62.05 -36.17 80.83 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.853 0.752 . . . . 0.0 112.047 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.18 85.0 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.158 0.983 . . . . 0.0 112.417 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -43.5 98.74 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.406 -0.808 . . . . 0.0 110.152 171.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.13 -4.48 5.0 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 174.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -54.76 -39.39 68.31 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.133 -1.604 . . . . 0.0 113.45 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -67.1 -10.28 48.43 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -98.8 -7.06 28.09 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.685 1.194 . . . . 0.0 113.907 -168.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 . . . . . 0 C--O 1.254 1.326 0 C-N-CA 124.65 1.18 . . . . 0.0 113.822 -163.182 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.509 2.523 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.7 mt -147.28 179.64 7.5 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 119.848 -1.783 . . . . 0.0 112.384 -173.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -105.91 167.86 9.06 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 127.192 2.197 . . . . 0.0 109.745 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -76.66 -41.37 0.43 Allowed 'Trans proline' 0 CA--C 1.54 0.792 0 CA-C-N 121.401 1.536 . . . . 0.0 113.033 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.73 -35.65 77.39 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -35.78 77.5 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.551 -0.718 . . . . 0.0 112.379 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -56.83 -49.61 74.89 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.828 1.251 . . . . 0.0 109.813 173.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.5 m -58.04 -49.82 75.56 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.945 0.898 . . . . 0.0 111.939 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -65.16 -39.66 93.27 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.818 0.735 . . . . 0.0 112.325 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.1 t -62.02 -47.65 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 124.307 1.043 . . . . 0.0 111.64 173.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -59.93 -45.41 92.7 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.353 0.979 . . . . 0.0 111.295 175.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.48 -52.19 66.67 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.212 0.605 . . . . 0.0 111.281 176.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.77 -54.44 46.31 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.787 0.835 . . . . 0.0 112.15 176.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -62.83 -27.89 69.64 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.534 -0.728 . . . . 0.0 112.798 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.29 -44.0 98.29 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.762 1.172 . . . . 0.0 113.488 171.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -71.85 -35.62 69.9 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 118.615 1.207 . . . . 0.0 111.408 174.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.5 t -59.04 -44.4 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.057 0.943 . . . . 0.0 111.273 174.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.64 -135.94 5.03 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.635 1.588 . . . . 0.0 115.423 169.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.08 -22.58 61.0 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 178.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -71.99 -12.08 61.07 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.621 1.169 . . . . 0.0 113.392 178.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.5 -45.82 26.73 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.748 1.219 . . . . 0.0 114.162 -175.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.59 -34.54 90.23 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 119.716 -0.491 . . . . 0.0 113.587 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -66.98 -46.01 75.89 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.911 0.884 . . . . 0.0 110.153 174.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -65.25 -35.81 82.18 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.748 -0.595 . . . . 0.0 111.517 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.23 -47.89 75.7 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 124.029 0.823 . . . . 0.0 112.627 170.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.8 -46.68 81.43 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.275 1.037 . . . . 0.0 111.77 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -64.68 -38.32 90.6 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 121.448 -0.783 . . . . 0.0 112.321 174.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.42 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -65.65 -40.05 92.04 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.434 -0.791 . . . . 0.0 112.262 177.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.7 -42.74 97.92 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.967 1.307 . . . . 0.0 111.626 171.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.82 -45.79 89.15 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.645 0.778 . . . . 0.0 111.981 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -36.12 81.5 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.058 -1.026 . . . . 0.0 112.635 173.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -61.72 -42.47 99.0 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.166 0.893 . . . . 0.0 111.226 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -62.54 1.69 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.837 0.855 . . . . 0.0 111.283 167.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' B' ' 125' ' ' PRO . 0.6 OUTLIER -75.33 -34.74 61.23 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 119.739 -0.784 . . . . 0.0 113.034 -157.56 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -70.5 -20.14 62.87 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.0 68.72 11.63 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.446 1.098 . . . . 0.0 110.532 -166.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -54.29 -21.62 23.58 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 123.834 3.023 . . . . 0.0 116.095 -174.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.4 p -52.21 -26.61 12.09 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.648 1.579 . . . . 0.0 114.502 166.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.9 p -64.01 -37.47 87.54 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.87 -1.144 . . . . 0.0 113.235 170.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HA ' ' HE3' ' A' ' 40' ' ' LYS . 0.4 OUTLIER -68.43 -32.41 72.42 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -165.103 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.0 t -58.78 -25.57 63.2 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 175.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -67.52 -23.7 65.48 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.682 -1.261 . . . . 0.0 113.446 172.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -150.28 77.75 8.09 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 124.488 1.115 . . . . 0.0 112.507 178.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.96 -148.25 0.02 OUTLIER 'Trans proline' 0 CA--C 1.549 1.262 0 C-N-CA 123.872 3.048 . . . . 0.0 110.066 166.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.29 0.7 OUTLIER 57.52 12.41 1.51 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 126.44 1.896 . . . . 0.0 116.064 -175.651 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -105.39 133.82 49.52 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.344 1.857 . . . . 0.0 110.678 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -99.79 80.35 2.33 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.51 1.524 . . . . 0.0 111.567 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.7 mt -74.67 36.22 0.1 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.409 1.483 . . . . 0.0 114.498 -174.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -74.21 40.74 0.13 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.679 1.992 . . . . 0.0 113.299 176.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 55.52 151.49 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 130.827 3.651 . . . . 0.0 116.615 -164.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 46.39 37.91 8.73 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 126.177 1.846 . . . . 0.0 116.428 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 p -68.97 151.7 46.19 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -163.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.03 -18.74 59.43 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.598 1.159 . . . . 0.0 113.746 173.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -90.59 -45.19 9.06 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.483 1.113 . . . . 0.0 111.394 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.3 t -68.55 -36.49 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 O-C-N 121.246 -0.909 . . . . 0.0 111.742 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.31 -45.79 90.34 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.629 1.104 . . . . 0.0 112.213 173.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.56 -51.1 38.62 Favored Glycine 0 N--CA 1.47 0.929 0 C-N-CA 123.971 0.796 . . . . 0.0 111.902 -178.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -54.3 -42.65 70.33 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.505 0.722 . . . . 0.0 111.366 171.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.06 -51.94 46.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 121.104 -0.997 . . . . 0.0 114.122 170.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -59.01 -37.8 77.74 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 118.813 1.306 . . . . 0.0 112.454 176.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.5 -49.46 59.56 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 118.449 -0.786 . . . . 0.0 112.687 175.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 83.7 t -55.1 -44.74 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-N 119.983 1.265 . . . . 0.0 110.638 173.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.95 -51.59 69.38 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 174.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -59.25 -38.69 80.65 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.923 0.783 . . . . 0.0 112.287 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.79 88.66 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 171.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.75 -42.96 97.76 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 119.08 -0.486 . . . . 0.0 111.356 171.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.7 m -58.91 -45.2 90.87 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.61 1.096 . . . . 0.0 111.921 171.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -59.78 -42.96 94.5 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.486 1.114 . . . . 0.0 111.896 174.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.29 -50.57 73.14 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.64 -0.663 . . . . 0.0 111.598 170.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.0 t -55.54 -39.79 55.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 119.513 1.051 . . . . 0.0 112.185 175.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.36 -23.46 65.6 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -144.48 41.25 1.34 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.087 1.355 . . . . 0.0 111.729 -173.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 p -64.43 -12.39 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 -161.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.56 -7.0 20.03 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 169.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -114.29 -2.72 13.25 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.191 1.797 . . . . 0.0 112.553 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.438 ' HA ' ' HB2' ' A' ' 79' ' ' ALA . 23.4 ptt? -56.19 -20.47 0.54 Allowed Pre-proline 0 CA--C 1.544 0.748 0 N-CA-C 118.071 2.619 . . . . 0.0 118.071 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.88 -37.58 29.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 CA-C-N 123.968 2.453 . . . . 0.0 114.089 165.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -88.84 -41.18 12.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.729 0.812 . . . . 0.0 112.533 175.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' A' ' 76' ' ' MET . . . -67.78 -11.46 58.51 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -177.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.2 mt -110.89 7.44 21.8 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.317 1.447 . . . . 0.0 113.219 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.5 m -53.36 -36.85 61.82 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.828 1.195 . . . . 0.0 114.114 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.53 -28.03 65.07 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 174.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.9 mt -86.54 -35.77 19.33 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.329 1.051 . . . . 0.0 111.092 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.9 m -63.28 -34.36 77.51 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 117.99 -1.005 . . . . 0.0 112.032 165.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.23 -51.08 69.2 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.368 1.44 . . . . 0.0 112.198 167.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 tp -49.1 -45.06 42.75 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.963 0.802 . . . . 0.0 111.881 173.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -70.26 -70.17 0.31 Allowed 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.535 -0.728 . . . . 0.0 110.832 175.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.05 -14.81 26.2 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -171.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -130.61 10.23 5.14 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.455 1.502 . . . . 0.0 113.299 -171.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -138.74 -50.57 0.54 Allowed 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 174.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.03 -12.41 2.19 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 44.46 33.91 0.98 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 128.206 2.602 . . . . 0.0 115.869 177.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.411 HG12 ' HAC' ' A' ' 201' ' ' HEC . 17.9 t -56.94 135.43 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -165.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -45.39 121.24 5.02 Favored Pre-proline 0 CA--C 1.55 0.96 0 C-N-CA 126.234 1.814 . . . . 0.0 112.519 174.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -46.54 -18.48 0.5 Allowed 'Trans proline' 0 C--N 1.352 0.749 1 C-N-CA 125.409 4.073 . . . . 0.0 117.046 176.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.7 p -51.44 -39.53 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 120.442 1.474 . . . . 0.0 111.854 168.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -57.8 -37.41 73.71 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.741 1.616 . . . . 0.0 112.589 174.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -63.22 -52.58 61.65 Favored 'General case' 0 C--N 1.345 0.4 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.456 172.277 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -54.2 -44.04 71.27 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 119.336 0.971 . . . . 0.0 110.75 -172.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.0 mt -55.19 -64.37 0.86 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.442 1.097 . . . . 0.0 110.576 174.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -35.47 73.39 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -177.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.9 t -60.62 -51.77 67.99 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.278 1.031 . . . . 0.0 111.865 174.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -59.69 -39.55 84.94 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 121.876 -0.515 . . . . 0.0 111.041 174.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.42 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 56.0 m -59.24 -46.96 87.1 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.731 -0.652 . . . . 0.0 111.84 174.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.5 mt -60.83 -49.69 76.46 Favored 'General case' 0 N--CA 1.461 0.117 0 C-N-CA 123.659 0.784 . . . . 0.0 111.795 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.7 mt -51.15 -39.52 56.53 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.886 0.475 . . . . 0.0 111.78 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 37.1 t -68.38 -51.84 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 118.285 -0.864 . . . . 0.0 113.034 170.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.5 p -64.82 -36.43 84.32 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 120.488 1.495 . . . . 0.0 112.916 -172.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.98 -48.17 80.79 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.225 1.375 . . . . 0.0 109.979 170.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.4 ' CB ' ' CE1' ' B' ' 116' ' ' HIS . . . -71.04 -20.35 62.39 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -172.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.52 -13.3 20.07 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 170.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -132.1 -13.3 3.16 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -173.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.0 mp -98.37 154.96 37.37 Favored Pre-proline 0 CA--C 1.554 1.106 0 C-N-CA 124.915 1.286 . . . . 0.0 110.467 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -56.91 -33.71 95.62 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 123.503 2.802 . . . . 0.0 115.724 -171.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.3 -45.79 0.17 Allowed 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 117.826 -1.083 . . . . 0.0 113.919 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 58.48 -9.28 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 116.566 2.062 . . . . 0.0 116.566 -175.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -119.24 6.63 11.21 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.0 p -47.33 150.05 1.69 Allowed Pre-proline 0 N--CA 1.473 0.687 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 175.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -52.21 -31.78 47.46 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 CA-C-N 120.263 1.13 . . . . 0.0 114.817 -172.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.33 -47.47 27.6 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 168.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.89 -43.17 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 120.591 -1.318 . . . . 0.0 113.413 -174.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.405 ' HD1' HG22 ' B' ' 34' ' ' VAL . 0.6 OUTLIER -66.63 -39.72 88.43 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 122.219 2.282 . . . . 0.0 111.638 176.751 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.01 -58.39 8.09 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 122.822 0.449 . . . . 0.0 110.263 174.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 61.5 p -62.03 -51.95 65.94 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -177.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.71 -39.5 91.28 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.592 1.087 . . . . 0.0 112.049 -177.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -67.14 -50.51 61.02 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 120.033 1.288 . . . . 0.0 111.928 175.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -26.13 66.75 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.689 0.677 . . . . 0.0 112.748 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -68.53 -51.3 44.49 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.626 1.17 . . . . 0.0 112.071 168.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -58.27 -33.82 69.83 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.679 -1.263 . . . . 0.0 112.022 173.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.41 -35.09 68.29 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 172.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.3 p -70.06 -43.15 71.79 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.025 -1.672 . . . . 0.0 110.885 171.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 53.2 t -53.44 -51.98 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.44 1.496 . . . . 0.0 111.137 170.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 86.2 p -64.55 -40.01 94.8 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 119.364 0.984 . . . . 0.0 113.012 178.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.0 m -52.01 -55.77 18.45 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 118.896 0.771 . . . . 0.0 110.228 170.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 31.0 m -69.66 -27.54 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -176.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.45 -12.61 59.98 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 119.157 0.889 . . . . 0.0 112.907 171.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 98.8 m -96.44 -28.47 14.42 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.378 1.471 . . . . 0.0 111.807 171.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 59.1 m -54.37 136.95 43.08 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.882 1.273 . . . . 0.0 112.48 170.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -75.21 106.16 6.59 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.782 0.833 . . . . 0.0 110.29 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -145.37 152.43 39.85 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.344 1.458 . . . . 0.0 111.438 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 127.188 2.195 . . . . 0.0 111.025 -176.228 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.33 2.2 p . . . . . 0 N--CA 1.514 2.763 0 CA-C-O 117.04 -1.457 . . . . 0.0 113.282 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 75.9 t60 14.22 84.05 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 128.213 2.605 . . . . 0.0 116.268 -172.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.11 161.22 8.93 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.597 0.759 . . . . 0.0 111.25 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 2.4 p -65.04 155.51 83.69 Favored Pre-proline 0 N--CA 1.48 1.039 0 O-C-N 121.688 -0.632 . . . . 0.0 109.558 163.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -55.89 -41.08 80.83 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 122.467 2.111 . . . . 0.0 113.752 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -68.33 -42.38 79.39 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.161 0.584 . . . . 0.0 111.572 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.49 -43.46 97.18 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.328 0.651 . . . . 0.0 111.212 175.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -54.77 -53.15 58.84 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.577 0.751 . . . . 0.0 111.25 172.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m -55.62 -41.83 74.04 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.268 0.94 . . . . 0.0 111.943 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.48 -41.53 98.57 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.5 p -69.69 -56.56 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 120.221 1.373 . . . . 0.0 111.424 171.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.1 m -67.72 -36.14 80.06 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.243 0.929 . . . . 0.0 113.244 -168.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.67 88.38 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 120.191 1.359 . . . . 0.0 112.294 175.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 tt -72.78 -28.17 62.44 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.66 -0.65 . . . . 0.0 111.417 173.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -63.87 -41.1 97.84 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.402 -0.811 . . . . 0.0 111.26 166.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.67 -27.86 50.33 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 125.446 1.498 . . . . 0.0 115.51 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -100.24 -5.73 27.12 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.696 1.198 . . . . 0.0 113.973 174.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.459 HG22 HG13 ' B' ' 23' ' ' VAL . 0.4 OUTLIER -65.22 138.74 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.495 1.118 . . . . 0.0 111.862 -174.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -88.93 67.04 8.1 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.245 1.018 . . . . 0.0 111.337 -175.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 48.8 t -39.7 -45.08 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 126.171 1.789 . . . . 0.0 115.585 -164.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.15 -57.24 11.21 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.047 0.939 . . . . 0.0 112.547 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -70.07 -52.33 24.76 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.189 0.996 . . . . 0.0 111.068 -175.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.459 HG13 HG22 ' B' ' 18' ' ' VAL . 0.8 OUTLIER -66.08 -29.21 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 125.841 1.656 . . . . 0.0 112.491 -179.474 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.05 -40.26 10.62 Favored Glycine 0 C--N 1.34 0.799 0 C-N-CA 124.295 0.95 . . . . 0.0 112.337 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.75 -41.44 99.06 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-N 118.198 0.999 . . . . 0.0 111.917 167.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -64.59 -41.17 96.43 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.191 -0.909 . . . . 0.0 112.865 171.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.59 -57.49 12.72 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 120.506 1.503 . . . . 0.0 111.335 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.3 tp -65.84 -39.97 91.32 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.353 -0.842 . . . . 0.0 112.39 -177.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.36 -47.17 87.29 Favored Glycine 0 N--CA 1.469 0.865 0 CA-C-N 119.019 0.827 . . . . 0.0 112.425 177.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.424 ' HA ' HG22 ' B' ' 33' ' ' VAL . 12.4 ttm180 -52.31 -37.5 55.93 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.982 1.313 . . . . 0.0 112.829 172.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.21 -48.89 23.93 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 123.49 0.716 . . . . 0.0 111.002 176.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.551 HD22 ' CE2' ' B' ' 45' ' ' PHE . 1.4 mm? -75.68 -30.9 59.53 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.2 -0.937 . . . . 0.0 112.404 -179.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' B' ' 30' ' ' ARG . 1.1 m -70.73 -12.09 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.405 HG22 ' HD1' ' A' ' 122' ' ' HIS . 0.2 OUTLIER -72.7 -0.79 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 CA-C-N 120.462 1.483 . . . . 0.0 113.617 170.872 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 12.3 t80 45.66 47.19 3.75 Favored Pre-proline 0 CA--C 1.562 1.412 0 C-N-CA 125.62 1.568 . . . . 0.0 114.325 -166.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -81.82 170.0 14.45 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.074 2.516 . . . . 0.0 114.228 -171.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 4.9 p90 -57.61 -28.81 63.98 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 169.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.41 ' H ' ' HG1' ' B' ' 38' ' ' THR . 1.2 p -60.95 -22.06 64.06 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.529 1.532 . . . . 0.0 113.856 174.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -57.74 -24.16 55.62 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.605 1.093 . . . . 0.0 112.889 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.01 -33.83 8.51 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.738 1.215 . . . . 0.0 113.43 171.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -92.79 11.56 26.57 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.459 1.504 . . . . 0.0 113.7 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -60.54 -15.87 31.81 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 178.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -50.52 -17.08 0.44 Allowed 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.803 1.409 . . . . 0.0 114.803 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 53.2 m -96.69 10.0 39.97 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.76 1.624 . . . . 0.0 114.707 174.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.551 ' CE2' HD22 ' B' ' 32' ' ' LEU . 19.8 m-85 -110.68 -20.29 12.57 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 120.257 -1.527 . . . . 0.0 114.607 -172.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.43 -7.64 17.39 Favored Glycine 0 CA--C 1.54 1.63 0 N-CA-C 117.318 1.687 . . . . 0.0 117.318 170.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -151.39 -130.21 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 119.419 1.61 . . . . 0.0 111.538 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 65.5 8.25 4.93 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.043 2.137 . . . . 0.0 115.539 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 88.2 p -58.19 -16.88 15.26 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' THR . . . . . 0.497 ' HG1' ' H ' ' B' ' 53' ' ' ALA . 61.5 p -129.79 158.92 72.24 Favored Pre-proline 0 N--CA 1.469 0.501 0 C-N-CA 125.022 1.329 . . . . 0.0 110.327 154.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.15 -42.77 62.95 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 122.655 2.237 . . . . 0.0 114.157 172.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -59.21 -36.86 76.15 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.351 -0.843 . . . . 0.0 111.972 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.497 ' H ' ' HG1' ' B' ' 50' ' ' THR . . . -64.56 -36.67 84.96 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 176.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.68 -40.17 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 120.704 1.593 . . . . 0.0 112.628 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 5.1 ttm -80.46 -17.04 52.88 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -103.13 -22.87 8.89 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.191 1.377 . . . . 0.0 115.069 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -54.15 120.33 24.54 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 125.233 1.413 . . . . 0.0 111.882 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -61.28 -29.57 86.48 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.416 2.077 . . . . 0.0 113.14 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -63.3 -38.68 92.1 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.769 1.168 . . . . 0.0 112.176 171.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 71.4 t -69.72 -34.58 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-N 119.547 1.067 . . . . 0.0 111.736 174.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -66.89 -50.11 63.47 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 120.121 1.328 . . . . 0.0 111.798 173.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.31 -49.15 78.74 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.509 1.124 . . . . 0.0 112.452 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -67.32 -33.01 74.38 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.928 -1.108 . . . . 0.0 111.94 176.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.25 -48.15 76.87 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 126.427 1.965 . . . . 0.0 113.361 168.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -56.95 -44.39 82.5 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 117.759 0.78 . . . . 0.0 111.037 169.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -61.95 -50.44 72.11 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.706 0.802 . . . . 0.0 112.786 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.09 -45.44 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-N 119.859 1.208 . . . . 0.0 112.363 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.79 -33.65 68.76 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.239 -0.913 . . . . 0.0 112.176 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.97 -34.79 77.46 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.278 1.418 . . . . 0.0 113.234 174.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.53 -51.0 71.73 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.717 1.258 . . . . 0.0 110.565 165.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -54.07 -38.86 65.75 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.959 -1.088 . . . . 0.0 113.637 173.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.3 p -65.42 -36.31 83.56 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.839 -1.163 . . . . 0.0 113.426 173.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -27.15 68.12 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.405 -0.809 . . . . 0.0 112.245 169.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.74 -63.16 5.53 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 166.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 mt -53.72 -33.89 57.05 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.51 -24.58 59.01 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 176.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -141.09 40.51 1.79 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.183 1.393 . . . . 0.0 113.226 -172.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 77.5 mt -55.99 -21.47 21.37 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.873 -1.142 . . . . 0.0 114.063 176.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -59.1 -38.49 79.67 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.859 1.264 . . . . 0.0 113.636 175.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -161.46 61.83 0.27 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.345 1.058 . . . . 0.0 113.217 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.444 HD21 ' H ' ' B' ' 81' ' ' LEU . 0.5 OUTLIER -61.35 -18.53 59.08 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -179.358 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -55.44 -31.06 61.6 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.77 -1.206 . . . . 0.0 113.32 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.6 -23.55 42.51 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.3 0.952 . . . . 0.0 114.639 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.88 -16.73 43.31 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 118.905 1.352 . . . . 0.0 113.62 -179.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -113.41 0.81 14.88 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 116.188 1.921 . . . . 0.0 116.188 -174.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.17 -35.41 35.9 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 121.028 1.74 . . . . 0.0 115.528 -168.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 21.6 p -66.48 -40.24 89.21 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.428 1.091 . . . . 0.0 112.994 173.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 23.1 mt -67.03 -47.8 70.28 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 123.728 0.811 . . . . 0.0 109.932 171.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 4.6 m -56.01 -40.64 73.69 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 119.26 0.936 . . . . 0.0 112.293 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -60.24 -53.15 61.16 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.76 0.824 . . . . 0.0 111.676 171.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 45.0 tp -52.78 -46.18 67.48 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 120.944 -1.098 . . . . 0.0 111.925 174.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -80.28 -13.71 58.98 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 120.871 -1.143 . . . . 0.0 113.806 -174.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 42.0 t -102.31 -75.87 0.59 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.917 0.887 . . . . 0.0 110.135 169.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -61.6 -21.76 64.62 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.979 1.712 . . . . 0.0 115.12 -171.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -111.17 -20.06 12.48 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 175.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 79.7 mt -127.79 -34.81 2.15 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -176.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 35.11 19.33 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 130.338 3.455 . . . . 0.0 119.609 -175.079 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 1.4 m -51.26 149.48 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.504 1.522 . . . . 0.0 113.581 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.97 141.5 95.54 Favored Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -45.41 -39.13 16.4 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 125.056 3.837 . . . . 0.0 116.454 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -51.7 -27.09 10.71 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.796 1.238 . . . . 0.0 114.095 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -65.07 -44.23 89.59 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 120.759 -1.213 . . . . 0.0 110.84 175.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -67.43 -43.97 79.88 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.324 1.05 . . . . 0.0 110.126 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -43.14 80.56 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.507 1.123 . . . . 0.0 112.094 173.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.59 -47.36 84.14 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.071 0.948 . . . . 0.0 111.507 173.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -41.65 69.09 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.196 0.907 . . . . 0.0 111.018 173.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.08 -48.55 78.77 Favored Glycine 0 CA--C 1.523 0.563 0 CA-C-O 118.826 -0.986 . . . . 0.0 113.91 171.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -52.55 -50.67 62.45 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.1 1.45 . . . . 0.0 111.36 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -62.28 -38.26 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 121.581 -0.699 . . . . 0.0 111.819 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 52.1 tp -62.99 -57.56 10.31 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.543 1.137 . . . . 0.0 111.89 175.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 12.4 m -60.83 -32.05 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 118.876 0.762 . . . . 0.0 111.567 -175.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 69.1 m -59.71 -46.25 89.65 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 117.607 -1.187 . . . . 0.0 112.698 173.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.63 -44.21 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 CA-C-N 121.904 2.138 . . . . 0.0 113.266 -174.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -36.63 84.3 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 125.084 1.353 . . . . 0.0 110.101 -176.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.46 -7.07 17.16 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.462 1.653 . . . . 0.0 115.462 173.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . 0.4 ' CE1' ' CB ' ' A' ' 110' ' ' ALA . 0.8 OUTLIER -109.73 -41.56 4.5 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.667 1.122 . . . . 0.0 111.081 -176.889 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -63.58 -38.49 91.31 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.794 -0.566 . . . . 0.0 112.168 164.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -127.26 25.13 6.21 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.635 1.174 . . . . 0.0 112.768 -167.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -48.19 -35.06 13.58 Favored Glycine 0 N--CA 1.481 1.635 0 C-N-CA 125.194 1.378 . . . . 0.0 115.544 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -55.29 -34.69 64.34 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.97 1.708 . . . . 0.0 113.95 172.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -104.78 -19.91 13.77 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.412 1.885 . . . . 0.0 112.778 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -78.47 71.71 4.95 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.786 1.635 . . . . 0.0 111.922 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 69.7 p -61.74 161.46 21.14 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 124.747 1.219 . . . . 0.0 112.226 175.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -43.65 -50.17 7.28 Favored 'Trans proline' 0 CA--C 1.55 1.282 0 C-N-CA 123.137 2.558 . . . . 0.0 114.914 167.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . 0.424 ' HA ' HD12 ' A' ' 34' ' ' LEU . 30.2 Cg_endo -65.65 -32.99 46.66 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.048 1.832 . . . . 0.0 115.598 176.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 14.8 t -52.11 -44.02 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 120.473 1.488 . . . . 0.0 111.919 172.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.65 -43.1 99.49 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.179 -0.95 . . . . 0.0 112.2 177.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.12 -30.01 70.73 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.191 0.996 . . . . 0.0 113.333 175.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.7 -55.36 13.47 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.602 0.637 . . . . 0.0 110.904 172.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -56.12 -44.01 78.72 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.674 -0.641 . . . . 0.0 112.373 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -55.76 -42.53 75.59 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.655 -0.653 . . . . 0.0 112.748 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -64.9 -44.22 90.3 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.614 1.097 . . . . 0.0 113.304 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 2.1 p -70.08 -38.43 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 121.364 -0.835 . . . . 0.0 112.413 175.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 89.6 t -68.68 -37.03 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 118.648 0.658 . . . . 0.0 111.963 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.18 94.75 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.237 -0.915 . . . . 0.0 111.792 169.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.79 -48.81 75.25 Favored Glycine 0 N--CA 1.471 1.005 0 O-C-N 121.801 -0.562 . . . . 0.0 112.808 169.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -45.73 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 118.095 0.948 . . . . 0.0 111.716 174.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.72 -49.53 77.12 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 122.982 0.513 . . . . 0.0 111.472 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -35.32 80.6 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.822 -0.549 . . . . 0.0 111.725 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.79 -38.7 76.75 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.453 0.57 . . . . 0.0 111.995 175.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.6 -33.41 75.59 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.911 1.232 . . . . 0.0 111.655 172.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.94 -8.9 52.62 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 170.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -51.16 -42.76 61.02 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 120.387 -1.445 . . . . 0.0 113.685 -176.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -70.7 1.4 5.38 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -60.06 -17.08 36.74 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 119.908 1.231 . . . . 0.0 112.637 168.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 126.533 1.933 . . . . 0.0 112.828 174.652 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.508 2.453 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 63.2 mt -147.29 179.63 7.5 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 119.911 -1.743 . . . . 0.0 112.436 -173.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -105.91 167.87 9.05 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 127.192 2.197 . . . . 0.0 109.79 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -76.63 -41.47 0.42 Allowed 'Trans proline' 0 CA--C 1.54 0.779 0 CA-C-N 121.484 1.566 . . . . 0.0 113.108 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.58 -35.6 77.59 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.03 -35.68 77.53 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.601 -0.687 . . . . 0.0 112.406 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -56.83 -49.41 75.51 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.699 1.199 . . . . 0.0 110.004 173.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 75.2 m -58.1 -49.91 75.31 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.905 0.882 . . . . 0.0 111.931 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -65.23 -39.39 92.67 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.813 0.733 . . . . 0.0 112.329 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 36.5 t -62.2 -47.56 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.287 1.035 . . . . 0.0 111.644 173.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -60.09 -45.39 93.1 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.247 0.93 . . . . 0.0 111.317 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.28 66.24 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.274 0.63 . . . . 0.0 111.214 176.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.84 -54.31 47.92 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.718 0.807 . . . . 0.0 112.242 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -62.95 -27.78 69.63 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.546 -0.721 . . . . 0.0 112.813 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.26 -44.17 98.06 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.722 1.153 . . . . 0.0 113.4 171.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -71.82 -35.56 69.97 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 118.603 1.202 . . . . 0.0 111.38 174.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 71.4 t -59.13 -44.35 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.111 0.964 . . . . 0.0 111.29 174.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.72 -136.11 5.06 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.605 1.574 . . . . 0.0 115.406 169.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.94 -22.6 60.21 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -72.26 -11.79 60.87 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.536 1.134 . . . . 0.0 113.401 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.49 -45.78 26.62 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.697 1.199 . . . . 0.0 114.2 -175.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.76 -34.39 89.8 Favored Glycine 0 N--CA 1.469 0.88 0 CA-C-O 119.661 -0.522 . . . . 0.0 113.601 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -66.96 -46.05 75.86 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.945 0.898 . . . . 0.0 110.216 174.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -65.13 -35.85 82.4 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.703 -0.623 . . . . 0.0 111.56 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.42 -48.02 73.07 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 123.939 0.78 . . . . 0.0 112.454 170.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.6 -46.72 80.71 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.411 1.106 . . . . 0.0 111.797 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.74 -38.24 90.33 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.424 -0.798 . . . . 0.0 112.186 174.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . 0.424 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -65.64 -40.11 92.17 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.534 -0.729 . . . . 0.0 112.329 177.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.56 -42.91 98.32 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.948 1.299 . . . . 0.0 111.67 171.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.59 -45.91 88.08 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.713 0.805 . . . . 0.0 112.008 176.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -36.09 81.48 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 121.124 -0.985 . . . . 0.0 112.66 173.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -61.77 -42.44 98.99 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.224 0.92 . . . . 0.0 111.225 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -62.55 1.68 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.947 0.899 . . . . 0.0 111.343 167.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' D' ' 125' ' ' PRO . 0.6 OUTLIER -75.38 -34.73 61.13 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 119.743 -0.783 . . . . 0.0 113.043 -157.543 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -70.42 -20.19 62.93 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.02 68.88 11.68 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.435 1.094 . . . . 0.0 110.496 -166.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.47 -21.41 23.84 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 123.855 3.037 . . . . 0.0 116.08 -174.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 5.1 p -52.21 -26.67 12.26 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.786 1.635 . . . . 0.0 114.377 166.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 82.1 p -64.12 -37.49 87.66 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 120.865 -1.147 . . . . 0.0 113.258 170.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . 0.414 ' HA ' ' HE3' ' C' ' 40' ' ' LYS . 0.4 OUTLIER -68.26 -32.43 72.59 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -165.194 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 9.0 t -58.71 -25.66 63.13 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 175.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -67.37 -23.83 65.63 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.539 -1.35 . . . . 0.0 113.497 172.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -150.16 77.7 8.2 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 124.545 1.138 . . . . 0.0 112.513 178.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.85 -148.25 0.02 OUTLIER 'Trans proline' 0 CA--C 1.549 1.268 0 C-N-CA 123.808 3.005 . . . . 0.0 110.145 166.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.287 0.7 OUTLIER 57.5 12.46 1.51 Allowed 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.533 1.933 . . . . 0.0 116.072 -175.745 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -105.28 133.94 49.21 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.331 1.852 . . . . 0.0 110.704 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -99.85 80.31 2.31 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.467 1.507 . . . . 0.0 111.542 -177.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 47.5 mt -74.57 36.19 0.1 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.428 1.491 . . . . 0.0 114.518 -174.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -74.3 40.84 0.13 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 126.557 1.943 . . . . 0.0 113.348 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . 0.25 0.6 OUTLIER 55.54 151.42 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 130.725 3.61 . . . . 0.0 116.643 -164.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 46.59 37.54 8.85 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 126.075 1.798 . . . . 0.0 116.45 173.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 13.0 p -68.74 151.68 46.33 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -163.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.02 -18.7 59.17 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.573 1.149 . . . . 0.0 113.792 173.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -90.57 -45.18 9.08 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.479 1.112 . . . . 0.0 111.51 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 98.1 t -68.66 -36.41 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 O-C-N 121.188 -0.945 . . . . 0.0 111.697 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -45.76 90.3 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.675 1.125 . . . . 0.0 112.187 173.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.6 -51.19 37.83 Favored Glycine 0 N--CA 1.471 0.971 0 C-N-CA 124.034 0.826 . . . . 0.0 111.788 -177.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -54.33 -42.59 70.37 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.484 0.713 . . . . 0.0 111.391 171.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.17 -51.86 47.76 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 121.076 -1.015 . . . . 0.0 114.085 170.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -58.97 -37.68 77.35 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 118.856 1.328 . . . . 0.0 112.506 175.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.69 -49.56 58.02 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 118.443 -0.789 . . . . 0.0 112.605 175.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 84.9 t -55.04 -44.52 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 CA-C-N 119.913 1.233 . . . . 0.0 110.771 173.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.54 69.54 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 174.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -59.17 -38.76 80.54 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.134 0.879 . . . . 0.0 112.29 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.9 -37.5 87.63 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 171.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -42.9 97.24 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.484 0.584 . . . . 0.0 111.325 171.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 21.7 m -59.1 -44.99 92.0 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.64 1.109 . . . . 0.0 111.86 171.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -59.87 -42.93 94.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.379 1.072 . . . . 0.0 111.959 174.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.29 -50.63 72.93 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.46 -0.775 . . . . 0.0 111.56 170.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 73.6 t -55.43 -39.93 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 CA-C-N 119.489 1.04 . . . . 0.0 112.101 175.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.24 -23.48 65.71 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -144.45 41.22 1.34 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.099 1.36 . . . . 0.0 111.748 -173.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 p -64.37 -12.55 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 -161.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.4 -7.02 20.19 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 169.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -114.12 -2.74 13.37 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.258 1.823 . . . . 0.0 112.627 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 76' ' ' MET . . . . . 0.431 ' HA ' ' HB2' ' C' ' 79' ' ' ALA . 23.4 ptt? -56.21 -20.52 0.55 Allowed Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 118.099 2.629 . . . . 0.0 118.099 178.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -47.96 -37.49 29.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 CA-C-N 123.856 2.413 . . . . 0.0 113.992 165.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -88.93 -41.12 12.6 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.662 0.785 . . . . 0.0 112.486 175.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 79' ' ' ALA . . . . . 0.431 ' HB2' ' HA ' ' C' ' 76' ' ' MET . . . -67.8 -11.43 58.5 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -177.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 62.8 mt -110.86 7.36 21.84 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.362 1.465 . . . . 0.0 113.223 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 69.4 m -53.33 -36.87 61.77 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.91 1.232 . . . . 0.0 114.086 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.58 -28.11 65.25 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 174.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 mt -86.39 -35.81 19.55 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.343 1.057 . . . . 0.0 111.069 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 37.8 m -63.27 -34.42 77.64 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.088 -0.958 . . . . 0.0 112.149 165.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.0 -51.22 68.9 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 120.341 1.428 . . . . 0.0 112.218 167.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 tp -49.05 -45.01 42.25 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.923 0.783 . . . . 0.0 111.854 173.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -70.41 -70.15 0.31 Allowed 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.584 -0.698 . . . . 0.0 110.823 175.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.04 -14.76 25.67 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -171.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -130.68 10.19 5.11 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.318 1.447 . . . . 0.0 113.091 -171.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -138.74 -50.76 0.55 Allowed 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 174.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.98 -12.3 2.21 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 44.38 33.86 0.95 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 128.233 2.613 . . . . 0.0 115.852 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . 0.408 HG12 ' HAC' ' C' ' 201' ' ' HEC . 17.6 t -56.82 135.35 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 -165.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -45.59 121.29 5.26 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 126.062 1.745 . . . . 0.0 112.585 174.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -46.19 -18.99 0.5 Allowed 'Trans proline' 0 C--N 1.352 0.746 1 C-N-CA 125.414 4.076 . . . . 0.0 117.15 176.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 10.4 p -51.06 -39.44 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-N 120.358 1.436 . . . . 0.0 111.989 168.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -57.9 -37.52 74.17 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.751 1.621 . . . . 0.0 112.522 174.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -63.14 -52.48 62.34 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.406 172.389 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -54.16 -44.22 71.29 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 119.288 0.949 . . . . 0.0 110.765 -172.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 55.1 mt -55.06 -64.36 0.86 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.426 1.09 . . . . 0.0 110.589 173.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -35.43 73.41 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.703 0.801 . . . . 0.0 113.101 -177.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 17.9 t -60.68 -51.76 68.0 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.334 1.054 . . . . 0.0 111.913 174.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -59.71 -39.49 84.78 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.922 -0.486 . . . . 0.0 111.068 174.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 104' ' ' CYS . . . . . 0.424 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 55.9 m -59.24 -47.01 86.95 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 118.679 -0.676 . . . . 0.0 111.917 174.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.83 -49.78 76.09 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 123.667 0.787 . . . . 0.0 111.729 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 4.8 mt -51.2 -39.37 56.33 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.85 0.46 . . . . 0.0 111.726 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 34.9 t -68.62 -51.71 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 118.285 -0.864 . . . . 0.0 112.936 170.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 46.0 p -64.9 -36.45 84.41 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.525 1.511 . . . . 0.0 112.832 -172.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.89 -48.22 80.49 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 120.423 1.465 . . . . 0.0 109.983 170.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . 0.406 ' CB ' ' CE1' ' D' ' 116' ' ' HIS . . . -71.08 -20.39 62.36 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -172.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.56 -13.3 20.46 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 170.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -132.03 -13.38 3.18 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -173.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 11.0 mp -98.34 155.04 37.33 Favored Pre-proline 0 CA--C 1.556 1.176 0 C-N-CA 124.983 1.313 . . . . 0.0 110.356 175.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -57.0 -33.72 96.16 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 123.489 2.793 . . . . 0.0 115.639 -171.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.3 -46.0 0.17 Allowed 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 58.62 -9.21 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -175.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -119.32 6.62 11.17 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 1.9 p -47.26 150.07 1.63 Allowed Pre-proline 0 N--CA 1.473 0.708 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -52.22 -31.86 47.9 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 CA-C-N 120.177 1.099 . . . . 0.0 114.811 -172.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.33 -47.41 27.87 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 168.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.82 -43.24 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 120.598 -1.314 . . . . 0.0 113.398 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 122' ' ' HIS . . . . . 0.41 ' HD1' HG22 ' D' ' 34' ' ' VAL . 0.6 OUTLIER -66.71 -39.48 88.06 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 122.171 2.26 . . . . 0.0 111.646 176.831 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.23 -58.31 8.52 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 122.851 0.46 . . . . 0.0 110.251 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 61.2 p -62.04 -51.96 65.89 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-O 118.313 -0.851 . . . . 0.0 113.271 -177.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.66 -39.62 91.56 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.547 1.067 . . . . 0.0 112.024 -177.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.09 -50.59 61.09 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 120.07 1.305 . . . . 0.0 111.936 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -26.19 66.88 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -68.55 -51.23 45.11 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.655 1.182 . . . . 0.0 112.173 168.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -58.27 -34.05 70.08 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 120.693 -1.255 . . . . 0.0 111.919 173.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.35 -35.16 68.47 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 173.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 89.9 p -69.96 -43.27 71.89 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 119.98 -1.7 . . . . 0.0 110.858 171.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 53.4 t -53.53 -51.75 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.435 1.494 . . . . 0.0 111.063 170.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 86.2 p -64.68 -39.93 94.52 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.469 1.031 . . . . 0.0 113.055 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 4.0 m -51.91 -55.84 17.72 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 118.887 0.767 . . . . 0.0 110.253 170.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 30.6 m -69.65 -27.57 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -176.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.63 -12.33 59.96 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 119.28 0.946 . . . . 0.0 112.87 171.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 97.2 m -96.65 -28.52 14.29 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.361 1.464 . . . . 0.0 111.722 171.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 59.2 m -54.26 136.99 42.31 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.883 1.273 . . . . 0.0 112.44 170.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -75.24 106.14 6.62 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.891 0.877 . . . . 0.0 110.229 177.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -145.42 152.39 39.75 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.311 1.444 . . . . 0.0 111.364 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 127.368 2.267 . . . . 0.0 111.219 -176.327 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.326 2.2 p . . . . . 0 N--CA 1.513 2.715 0 CA-C-O 117.083 -1.437 . . . . 0.0 113.139 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 75.9 t60 14.08 83.96 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 128.292 2.637 . . . . 0.0 116.256 -172.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.01 161.11 8.83 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.43 0.692 . . . . 0.0 111.312 177.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 2.4 p -64.83 155.53 82.56 Favored Pre-proline 0 N--CA 1.48 1.065 0 O-C-N 121.663 -0.648 . . . . 0.0 109.575 163.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -55.83 -41.21 79.61 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 122.394 2.063 . . . . 0.0 113.781 175.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -68.18 -42.53 79.83 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.169 0.588 . . . . 0.0 111.577 177.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.41 -43.45 97.46 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.23 0.612 . . . . 0.0 111.208 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -54.78 -53.09 59.64 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.589 0.756 . . . . 0.0 111.256 172.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m -55.67 -41.83 74.23 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.179 0.9 . . . . 0.0 111.958 176.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.75 98.81 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 p -69.58 -56.64 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 120.112 1.323 . . . . 0.0 111.411 171.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -67.74 -36.18 80.09 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.221 0.919 . . . . 0.0 113.224 -168.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.74 88.68 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 120.08 1.309 . . . . 0.0 112.277 175.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 tt -72.58 -28.24 62.68 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.596 -0.69 . . . . 0.0 111.5 173.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -63.84 -41.13 97.9 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.276 -0.89 . . . . 0.0 111.339 166.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.51 -27.96 49.73 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 125.599 1.571 . . . . 0.0 115.512 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -100.25 -5.81 26.96 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.626 1.171 . . . . 0.0 113.939 174.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.45 HG23 HG13 ' D' ' 23' ' ' VAL . 0.4 OUTLIER -65.16 138.5 23.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.485 1.114 . . . . 0.0 111.923 -174.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -88.9 67.25 8.17 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.15 0.98 . . . . 0.0 111.174 -175.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 48.8 t -39.74 -45.03 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -164.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -63.16 -57.3 11.01 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.043 0.937 . . . . 0.0 112.473 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -70.0 -52.3 25.35 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.101 0.96 . . . . 0.0 111.053 -175.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . 0.45 HG13 HG23 ' D' ' 18' ' ' VAL . 0.8 OUTLIER -66.07 -29.41 46.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 125.9 1.68 . . . . 0.0 112.41 -179.344 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.9 -40.32 10.73 Favored Glycine 0 C--N 1.341 0.817 0 C-N-CA 124.245 0.926 . . . . 0.0 112.305 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.76 -41.31 99.02 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-N 118.306 1.053 . . . . 0.0 111.937 167.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -64.76 -41.08 96.15 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 118.0 -1.0 . . . . 0.0 112.803 171.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.46 -57.63 12.13 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 120.704 1.593 . . . . 0.0 111.415 174.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 31.1 tp -65.86 -39.7 90.98 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.414 -0.804 . . . . 0.0 112.416 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.39 -47.3 85.86 Favored Glycine 0 N--CA 1.469 0.861 0 CA-C-N 119.04 0.836 . . . . 0.0 112.409 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 30' ' ' ARG . . . . . 0.414 ' HA ' HG23 ' D' ' 33' ' ' VAL . 12.5 ttm180 -52.3 -37.56 56.09 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.959 1.304 . . . . 0.0 112.897 172.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.12 -48.99 22.89 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.431 0.692 . . . . 0.0 111.035 176.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' D' ' 45' ' ' PHE . 1.3 mm? -75.65 -30.93 59.61 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.236 -0.915 . . . . 0.0 112.457 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 33' ' ' VAL . . . . . 0.414 HG23 ' HA ' ' D' ' 30' ' ' ARG . 1.1 m -70.78 -11.9 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-N 119.083 0.856 . . . . 0.0 113.228 179.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 34' ' ' VAL . . . . . 0.41 HG22 ' HD1' ' C' ' 122' ' ' HIS . 0.2 OUTLIER -72.82 -0.74 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 CA-C-N 120.439 1.472 . . . . 0.0 113.504 170.85 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 12.4 t80 45.74 47.08 3.65 Favored Pre-proline 0 CA--C 1.56 1.352 0 C-N-CA 125.652 1.581 . . . . 0.0 114.266 -166.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -81.72 170.04 14.55 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 123.129 2.553 . . . . 0.0 114.197 -171.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 4.9 p90 -57.67 -28.8 64.1 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 168.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -61.09 -21.72 63.95 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.497 1.519 . . . . 0.0 113.878 174.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -57.88 -24.16 56.37 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.605 1.093 . . . . 0.0 112.895 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.11 -33.8 8.79 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.743 1.217 . . . . 0.0 113.381 171.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -92.77 11.5 26.72 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.436 1.494 . . . . 0.0 113.67 -177.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -60.59 -15.76 31.25 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -50.59 -17.1 0.45 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 172.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 52.6 m -96.64 9.97 39.99 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.793 1.637 . . . . 0.0 114.815 174.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . 0.557 ' CE2' HD23 ' D' ' 32' ' ' LEU . 20.1 m-85 -110.54 -20.35 12.59 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 120.266 -1.521 . . . . 0.0 114.66 -172.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.47 -7.67 17.45 Favored Glycine 0 CA--C 1.54 1.646 0 N-CA-C 117.234 1.654 . . . . 0.0 117.234 170.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -151.33 -130.46 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 119.393 1.597 . . . . 0.0 111.522 -177.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 65.86 8.23 5.17 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.079 2.152 . . . . 0.0 115.449 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 88.3 p -58.17 -16.93 15.35 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 50' ' ' THR . . . . . 0.491 ' HG1' ' H ' ' D' ' 53' ' ' ALA . 58.7 p -129.82 158.88 72.39 Favored Pre-proline 0 N--CA 1.471 0.621 0 C-N-CA 124.971 1.309 . . . . 0.0 110.324 154.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.05 -42.57 65.26 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 122.582 2.188 . . . . 0.0 114.258 172.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -59.53 -36.76 76.76 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.355 -0.84 . . . . 0.0 111.854 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . 0.491 ' H ' ' HG1' ' D' ' 50' ' ' THR . . . -64.59 -36.82 85.48 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 176.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.65 -40.0 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 120.693 1.588 . . . . 0.0 112.688 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 5.1 ttm -80.5 -16.91 53.15 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -176.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -103.21 -22.91 8.82 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 125.211 1.386 . . . . 0.0 115.039 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -54.04 120.21 23.45 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.17 1.388 . . . . 0.0 111.974 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -61.23 -29.56 86.71 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.463 2.108 . . . . 0.0 113.127 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -63.29 -38.79 92.54 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.797 1.18 . . . . 0.0 112.16 171.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 70.4 t -69.63 -34.52 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 119.518 1.054 . . . . 0.0 111.753 174.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -67.04 -50.16 62.89 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 120.231 1.378 . . . . 0.0 111.717 173.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.18 -49.18 78.66 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.557 1.143 . . . . 0.0 112.519 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -67.45 -32.93 74.12 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.935 -1.103 . . . . 0.0 111.929 176.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.52 -47.94 80.19 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 126.295 1.902 . . . . 0.0 113.377 168.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -56.89 -44.46 82.35 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 117.969 0.884 . . . . 0.0 111.042 169.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -61.85 -50.41 72.36 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.746 0.818 . . . . 0.0 112.779 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 p -60.25 -45.29 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 CA-C-N 119.796 1.18 . . . . 0.0 112.35 174.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.87 -33.67 68.57 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.22 -0.925 . . . . 0.0 112.211 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.9 -34.87 78.04 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.242 1.401 . . . . 0.0 113.211 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.52 -50.98 71.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.635 1.218 . . . . 0.0 110.459 165.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -54.08 -38.94 65.87 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 120.918 -1.114 . . . . 0.0 113.633 173.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 1.3 p -65.31 -36.36 83.83 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.841 -1.162 . . . . 0.0 113.425 173.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -27.08 68.12 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.461 -0.774 . . . . 0.0 112.197 169.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.87 -63.04 5.63 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 166.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 mt -53.9 -33.78 57.58 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 176.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.49 -24.48 59.02 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 176.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -141.08 40.59 1.79 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.134 1.374 . . . . 0.0 113.263 -172.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 77.8 mt -55.92 -21.5 20.86 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 176.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -59.19 -38.62 80.3 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.875 1.27 . . . . 0.0 113.576 175.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -161.25 61.76 0.28 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.357 1.063 . . . . 0.0 113.227 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 81' ' ' LEU . . . . . 0.458 HD21 ' H ' ' D' ' 81' ' ' LEU . 0.5 OUTLIER -61.23 -18.54 58.84 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -179.351 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -55.45 -30.99 61.56 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.688 -1.257 . . . . 0.0 113.289 173.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.74 -23.63 41.67 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.299 0.952 . . . . 0.0 114.484 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.89 -16.73 43.25 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 118.993 1.396 . . . . 0.0 113.562 -178.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -113.49 1.0 14.88 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -174.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.45 -35.28 38.9 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 121.066 1.757 . . . . 0.0 115.555 -168.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 22.0 p -66.44 -40.24 89.36 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.419 1.088 . . . . 0.0 113.041 173.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 23.0 mt -67.07 -47.66 70.59 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 123.559 0.744 . . . . 0.0 110.008 171.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 4.5 m -55.97 -40.76 73.74 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.285 0.948 . . . . 0.0 112.194 177.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -60.24 -53.07 62.08 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.713 0.805 . . . . 0.0 111.593 171.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 44.9 tp -52.88 -46.16 67.79 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.118 -0.989 . . . . 0.0 111.932 174.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -80.38 -13.53 59.07 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.838 -1.164 . . . . 0.0 113.771 -174.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 42.0 t -102.38 -75.89 0.59 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.833 0.853 . . . . 0.0 110.18 169.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.5 -21.71 64.46 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.013 1.725 . . . . 0.0 115.158 -171.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -111.14 -20.22 12.43 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 175.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 80.4 mt -127.7 -34.87 2.16 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -176.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 35.32 19.09 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 130.239 3.416 . . . . 0.0 119.692 -175.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 1.4 m -51.34 149.44 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 125.463 1.505 . . . . 0.0 113.5 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.96 141.62 95.48 Favored Pre-proline 0 CA--C 1.555 1.146 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -45.49 -39.03 16.75 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 125.158 3.906 . . . . 0.0 116.472 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -51.76 -27.07 10.94 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 173.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -65.04 -44.33 89.42 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.855 -1.153 . . . . 0.0 110.808 175.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -67.28 -43.96 80.48 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.274 1.029 . . . . 0.0 110.151 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -43.29 80.38 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.52 1.128 . . . . 0.0 112.06 172.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.57 -47.28 84.52 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.057 0.943 . . . . 0.0 111.497 173.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.31 -41.51 69.05 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.327 0.967 . . . . 0.0 111.046 173.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.33 -48.39 80.81 Favored Glycine 0 CA--C 1.523 0.578 0 CA-C-O 118.823 -0.987 . . . . 0.0 113.958 171.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -52.48 -50.76 62.06 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.041 1.421 . . . . 0.0 111.406 172.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -62.18 -38.26 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 O-C-N 121.514 -0.741 . . . . 0.0 111.872 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.09 -57.54 10.27 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.476 1.111 . . . . 0.0 111.797 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 12.2 m -60.8 -32.01 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 119.001 0.819 . . . . 0.0 111.586 -175.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 69.2 m -59.76 -46.14 90.09 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 117.523 -1.227 . . . . 0.0 112.812 173.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.64 -44.24 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 CA-C-N 121.75 2.068 . . . . 0.0 113.294 -175.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 114' ' ' LEU . . . . . 0.402 ' CD1' ' CE2' ' D' ' 130' ' ' TYR . 0.2 OUTLIER -65.63 -36.57 84.07 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 125.166 1.387 . . . . 0.0 110.034 -176.725 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.52 -7.1 17.66 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 173.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 116' ' ' HIS . . . . . 0.406 ' CE1' ' CB ' ' C' ' 110' ' ' ALA . 0.8 OUTLIER -109.75 -41.74 4.45 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.621 1.1 . . . . 0.0 111.0 -176.807 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -63.6 -38.33 90.72 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.757 -0.589 . . . . 0.0 112.145 164.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -127.38 25.0 6.18 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.763 1.225 . . . . 0.0 112.872 -167.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -48.11 -35.18 13.4 Favored Glycine 0 N--CA 1.481 1.668 0 C-N-CA 125.163 1.363 . . . . 0.0 115.512 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -55.28 -34.54 64.19 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 126.011 1.724 . . . . 0.0 113.885 172.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -104.93 -20.16 13.64 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.499 1.92 . . . . 0.0 112.736 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -78.28 71.78 4.77 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.812 1.645 . . . . 0.0 111.905 -178.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 69.4 p -61.59 161.59 19.52 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 124.747 1.219 . . . . 0.0 112.15 175.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -43.72 -50.19 7.35 Favored 'Trans proline' 0 CA--C 1.55 1.291 0 C-N-CA 123.196 2.597 . . . . 0.0 115.014 166.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 125' ' ' PRO . . . . . 0.431 ' HA ' HD12 ' C' ' 34' ' ' LEU . 29.3 Cg_endo -65.53 -33.13 47.32 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.965 1.777 . . . . 0.0 115.478 176.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 14.6 t -52.17 -43.99 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 CA-C-N 120.567 1.53 . . . . 0.0 111.864 172.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.7 -43.02 99.66 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.155 -0.965 . . . . 0.0 112.147 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.25 -30.02 70.82 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.173 0.989 . . . . 0.0 113.411 175.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.53 -55.37 13.77 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.478 0.581 . . . . 0.0 111.036 172.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 130' ' ' TYR . . . . . 0.402 ' CE2' ' CD1' ' D' ' 114' ' ' LEU . 31.3 m-85 -56.06 -44.07 78.55 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.665 -0.647 . . . . 0.0 112.438 177.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -55.85 -42.42 75.77 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.55 -0.718 . . . . 0.0 112.713 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -64.93 -44.02 90.84 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 119.747 1.158 . . . . 0.0 113.346 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 2.1 p -70.35 -38.4 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 O-C-N 121.228 -0.92 . . . . 0.0 112.35 175.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.84 -36.84 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.583 -0.698 . . . . 0.0 111.957 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.2 95.15 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.195 -0.941 . . . . 0.0 111.865 169.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.84 -48.76 75.84 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 121.825 -0.547 . . . . 0.0 112.759 169.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.64 -45.69 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 118.125 0.962 . . . . 0.0 111.848 174.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.75 76.3 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.129 0.572 . . . . 0.0 111.459 177.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -35.45 80.97 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.849 -0.532 . . . . 0.0 111.613 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.93 77.09 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.495 0.589 . . . . 0.0 112.042 175.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.18 -33.64 76.23 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.816 1.189 . . . . 0.0 111.793 172.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.79 -9.07 53.24 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 170.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -51.16 -42.77 61.02 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.372 -1.455 . . . . 0.0 113.759 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -70.58 1.33 5.33 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -60.11 -17.05 37.29 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 120.033 1.288 . . . . 0.0 112.631 168.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 . . . . . 0 C--O 1.254 1.323 0 C-N-CA 126.556 1.943 . . . . 0.0 112.884 174.627 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.411 ' HAC' HG12 ' A' ' 93' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 201' ' ' HEC . . . . . 0.408 ' HAC' HG12 ' C' ' 93' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.514 2.726 0 N-CA-C 116.33 1.974 . . . . 0.0 116.33 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -130.28 -169.51 2.15 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 121.681 2.037 . . . . 0.0 111.091 -174.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 t 150.4 -35.71 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.721 0 C-N-CA 129.994 3.318 . . . . 0.0 115.421 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -57.66 -176.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 124.466 3.444 . . . . 0.0 116.02 177.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.55 -27.45 1.13 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.531 1.532 . . . . 0.0 115.053 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -54.65 -44.14 72.99 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.822 1.249 . . . . 0.0 113.244 171.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -58.39 -50.83 72.27 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.782 0.833 . . . . 0.0 110.531 170.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.3 m -57.25 -42.34 81.34 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.816 0.846 . . . . 0.0 111.799 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.08 -41.45 77.52 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.123 0.969 . . . . 0.0 112.488 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.99 -38.28 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 119.369 0.986 . . . . 0.0 111.944 173.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -57.01 -47.71 80.22 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.532 1.133 . . . . 0.0 111.716 169.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.66 -51.5 69.67 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.281 0.632 . . . . 0.0 111.448 175.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.6 -54.4 47.47 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.974 0.51 . . . . 0.0 112.155 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -63.89 -29.4 70.59 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.153 -0.967 . . . . 0.0 112.954 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.95 -39.39 96.45 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.457 1.027 . . . . 0.0 113.21 170.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -69.08 -38.15 78.85 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 118.675 1.237 . . . . 0.0 111.605 171.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.8 t -59.28 -53.06 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.729 1.212 . . . . 0.0 111.51 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.64 -128.6 4.0 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.465 1.031 . . . . 0.0 114.442 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.42 -21.99 52.69 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -72.76 -8.27 54.63 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 175.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.58 -50.12 43.76 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.176 0.898 . . . . 0.0 113.244 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.56 -36.56 93.31 Favored Glycine 0 N--CA 1.47 0.917 0 O-C-N 122.005 -0.435 . . . . 0.0 113.544 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.24 -49.89 73.91 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.485 1.114 . . . . 0.0 111.274 171.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -63.45 -37.55 87.71 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.433 1.015 . . . . 0.0 112.237 175.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.32 -60.09 9.39 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.302 0.953 . . . . 0.0 111.66 170.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.07 72.4 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.676 1.19 . . . . 0.0 112.247 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.72 -33.42 71.59 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.787 1.235 . . . . 0.0 113.214 174.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.75 -36.33 70.39 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.135 0.88 . . . . 0.0 111.77 174.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 mt -62.16 -49.38 76.06 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 118.654 0.661 . . . . 0.0 110.314 170.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -56.03 -54.29 46.71 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.096 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -51.46 -51.36 55.69 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 117.914 -1.041 . . . . 0.0 111.378 173.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 57.1 ttp -53.89 -44.56 70.59 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.978 0.808 . . . . 0.0 113.175 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -67.23 -25.38 66.07 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 pp -112.02 -17.93 12.74 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -175.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.7 p -82.39 -28.49 31.42 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.161 1.384 . . . . 0.0 112.993 164.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -141.57 70.7 25.89 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 124.868 1.267 . . . . 0.0 110.794 -175.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -46.81 -28.06 6.37 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 125.006 3.804 . . . . 0.0 116.491 -175.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -16.51 1.42 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.979 2.111 . . . . 0.0 114.47 171.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.3 p -79.67 -23.52 42.41 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.583 -1.323 . . . . 0.0 113.806 173.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -58.57 -32.52 69.01 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.111 1.323 . . . . 0.0 113.732 -177.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.2 t -62.77 -26.21 68.6 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -74.53 3.92 6.9 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.196 0.998 . . . . 0.0 112.714 173.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -126.46 62.71 49.24 Favored Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 127.105 2.162 . . . . 0.0 110.593 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -73.47 2.38 5.8 Favored 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 124.367 3.378 . . . . 0.0 115.663 -172.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -139.94 25.64 2.31 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.081 1.352 . . . . 0.0 113.112 -169.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.91 167.33 13.7 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.668 1.187 . . . . 0.0 113.543 -164.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -117.77 110.82 18.28 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.901 1.281 . . . . 0.0 109.573 176.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.07 3.86 18.98 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.958 1.303 . . . . 0.0 112.97 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.3 m -49.53 138.32 13.87 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.992 1.717 . . . . 0.0 112.489 175.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.45 127.38 31.79 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.732 -0.605 . . . . 0.0 111.51 -177.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.23 15.32 81.67 Favored Glycine 0 CA--C 1.539 1.56 0 CA-C-O 118.734 -1.037 . . . . 0.0 115.35 -176.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.6 t -48.11 121.79 4.6 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.409 1.484 . . . . 0.0 113.524 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.52 -36.55 55.68 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.902 1.281 . . . . 0.0 112.903 176.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -66.8 -38.13 85.9 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.19 0.596 . . . . 0.0 111.998 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.4 t -66.85 -40.39 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 O-C-N 121.492 -0.755 . . . . 0.0 111.066 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -59.66 -51.53 69.38 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 118.966 0.803 . . . . 0.0 110.536 172.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.27 -47.14 92.58 Favored Glycine 0 N--CA 1.471 1.024 0 C-N-CA 124.886 1.231 . . . . 0.0 113.33 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -63.85 -41.03 97.89 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.165 0.983 . . . . 0.0 111.55 172.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.4 -48.43 54.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 121.188 -0.945 . . . . 0.0 113.744 171.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -57.61 -39.83 77.74 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.006 0.922 . . . . 0.0 112.05 172.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -47.94 69.71 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 176.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 66.1 t -56.5 -44.79 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-N 120.433 1.47 . . . . 0.0 111.087 173.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.5 69.44 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 175.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -59.71 -34.72 73.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.268 0.627 . . . . 0.0 111.641 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.72 -36.18 82.87 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.714 -1.241 . . . . 0.0 113.998 169.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.14 -40.21 94.1 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.718 1.145 . . . . 0.0 111.277 169.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 56.1 m -60.65 -43.45 97.56 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.479 1.036 . . . . 0.0 112.309 170.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -61.07 -42.69 98.98 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.808 1.643 . . . . 0.0 111.919 175.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.4 -51.85 67.73 Favored 'General case' 0 C--O 1.22 -0.449 0 O-C-N 121.152 -0.967 . . . . 0.0 111.137 168.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.6 t -54.57 -31.85 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.798 1.239 . . . . 0.0 113.386 177.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.52 -24.89 56.86 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 175.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -138.95 18.98 2.64 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.611 1.165 . . . . 0.0 113.805 -167.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.9 p -58.78 -25.62 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 O-C-N 120.302 -1.499 . . . . 0.0 114.46 -170.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -80.34 -9.35 59.74 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 121.058 -1.026 . . . . 0.0 113.119 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -135.09 21.05 3.46 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 128.183 2.593 . . . . 0.0 111.277 -175.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.8 ttm -58.96 -32.76 13.74 Favored Pre-proline 0 CA--C 1.551 0.985 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -162.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -53.49 23.85 0.02 OUTLIER 'Trans proline' 0 CA--C 1.555 1.543 1 C-N-CA 127.221 5.281 . . . . 0.0 119.031 168.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -143.86 -40.74 0.28 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 127.24 2.216 . . . . 0.0 110.835 173.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.42 -35.64 79.86 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.2 mt -92.66 6.2 48.27 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.3 m -58.07 -33.42 69.03 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.246 1.385 . . . . 0.0 114.645 -174.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.24 -33.44 73.51 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.062 -1.024 . . . . 0.0 112.66 171.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.8 mt -80.81 -39.98 25.75 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 124.399 1.08 . . . . 0.0 111.366 -178.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 94.3 p -66.65 -33.15 75.01 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 118.524 -0.75 . . . . 0.0 112.004 170.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -53.82 51.67 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.623 1.101 . . . . 0.0 111.221 168.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 31.6 tp -52.16 -64.88 0.67 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.052 0.541 . . . . 0.0 110.485 171.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.29 7.54 0.14 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 126.188 1.795 . . . . 0.0 115.32 -173.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -130.15 -34.82 1.63 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.185 1.394 . . . . 0.0 113.067 173.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -79.84 -34.69 39.2 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.696 0.798 . . . . 0.0 112.596 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -154.4 119.48 5.01 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.919 1.288 . . . . 0.0 111.181 -177.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 70.04 93.82 0.08 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.193 1.797 . . . . 0.0 110.168 -173.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.5 HH21 HG12 ' D' ' 98' ' ' VAL . 0.0 OUTLIER -62.75 -10.82 14.15 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 -172.256 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.0 t 30.66 89.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 C-N-CA 128.407 2.683 . . . . 0.0 114.292 -173.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -55.25 135.4 68.9 Favored Pre-proline 0 CA--C 1.546 0.808 0 CA-C-O 118.0 -1.0 . . . . 0.0 112.027 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -45.38 -30.49 5.62 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.607 2.871 . . . . 0.0 115.79 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.2 p -56.92 -40.5 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 120.731 -1.231 . . . . 0.0 112.773 174.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -68.92 -35.22 76.56 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 120.845 -1.16 . . . . 0.0 112.215 -175.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -46.97 64.69 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.053 0.388 . . . . 0.0 110.327 168.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -63.64 -39.1 93.5 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.137 0.575 . . . . 0.0 110.62 -174.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.0 mt -59.18 -56.19 25.31 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.571 0.748 . . . . 0.0 111.239 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.48 HD21 HMC1 ' A' ' 201' ' ' HEC . 0.2 OUTLIER -64.19 -37.21 86.64 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.79 0.723 . . . . 0.0 111.54 -178.186 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.6 t -59.0 -48.46 81.51 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.71 1.204 . . . . 0.0 112.314 173.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -56.8 -44.03 81.52 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.13 -0.981 . . . . 0.0 111.709 172.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 71.9 m -63.78 -37.68 88.29 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 175.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 35.7 mt -60.92 -46.66 89.77 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.463 1.028 . . . . 0.0 111.925 172.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 75.1 mt -53.38 -47.68 69.27 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.525 1.057 . . . . 0.0 110.732 174.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.6 t -55.94 -48.12 79.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 118.735 -0.65 . . . . 0.0 112.423 174.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.5 p -68.27 -40.15 81.94 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.753 1.615 . . . . 0.0 113.284 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.0 -44.1 87.01 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.592 1.087 . . . . 0.0 110.091 175.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.83 -30.77 64.09 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 175.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.74 -7.83 23.87 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -135.3 -43.82 0.7 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.45 1.1 . . . . 0.0 113.905 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.52 166.36 42.84 Favored Pre-proline 0 CA--C 1.562 1.422 0 C-N-CA 123.587 0.755 . . . . 0.0 109.388 172.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -58.71 -136.29 0.0 OUTLIER 'Trans proline' 0 CA--C 1.551 1.361 1 C-N-CA 125.806 4.337 . . . . 0.0 115.861 174.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.43 28.02 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.156 0 O-C-N 119.214 -2.179 . . . . 0.0 114.613 172.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.21 -19.74 2.19 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 129.439 3.096 . . . . 0.0 117.147 -151.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.437 ' CE2' HG11 ' B' ' 113' ' ' VAL . 20.8 p90 -74.03 37.65 0.1 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.814 2.046 . . . . 0.0 109.476 161.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.01 167.7 29.35 Favored Pre-proline 0 N--CA 1.488 1.454 0 C-N-CA 126.157 1.783 . . . . 0.0 112.041 -170.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.94 -40.11 58.59 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.032 1.822 . . . . 0.0 114.924 174.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.69 -58.51 2.78 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.854 0.462 . . . . 0.0 109.961 174.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.66 -30.14 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 121.018 -1.051 . . . . 0.0 112.663 -168.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.62 -50.02 54.69 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 120.497 -1.377 . . . . 0.0 111.705 170.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.99 -39.86 79.29 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.982 0.81 . . . . 0.0 110.312 176.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.3 m -58.98 -60.87 3.18 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 125.58 1.552 . . . . 0.0 111.905 174.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 52.4 mt -64.85 -39.62 93.86 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 117.862 -1.066 . . . . 0.0 112.019 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -55.56 -56.5 19.58 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 120.45 1.477 . . . . 0.0 111.798 173.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -33.27 71.73 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -69.08 -50.28 49.77 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.604 1.093 . . . . 0.0 111.369 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.3 -39.58 87.44 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.122 0.873 . . . . 0.0 110.611 172.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.19 80.43 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.835 1.198 . . . . 0.0 113.179 172.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.8 p -68.59 -40.53 80.43 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.861 1.21 . . . . 0.0 112.401 171.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 78.2 t -55.39 -50.14 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.9 t -50.93 -61.92 1.92 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.333 1.053 . . . . 0.0 112.329 171.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 51.6 m -47.54 -34.86 8.14 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.0 1.32 . . . . 0.0 113.446 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 89.5 t -83.75 -45.12 18.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.545 0.738 . . . . 0.0 111.907 177.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.97 -27.92 69.18 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.285 1.034 . . . . 0.0 113.34 175.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 36.1 p -103.3 10.94 37.31 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 127.421 2.289 . . . . 0.0 112.551 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 40.2 t -39.29 113.66 0.34 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.781 1.632 . . . . 0.0 113.077 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -59.5 -39.89 85.25 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.375 1.07 . . . . 0.0 113.034 -163.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 18.7 t80 48.91 -149.47 0.2 Allowed 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 125.143 1.377 . . . . 0.0 113.077 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 . . . . . 0 C--O 1.255 1.394 0 C-N-CA 127.316 2.247 . . . . 0.0 111.507 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.298 4.7 p . . . . . 0 N--CA 1.515 2.784 0 CA-C-O 116.765 -1.588 . . . . 0.0 113.726 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -1.26 88.73 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 128.587 2.755 . . . . 0.0 115.678 -169.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.33 161.64 19.19 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 122.16 -0.337 . . . . 0.0 110.866 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.04 148.79 94.54 Favored Pre-proline 0 N--CA 1.479 0.992 0 CA-C-O 118.362 -0.828 . . . . 0.0 109.069 163.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -52.7 -41.74 67.32 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 123.287 2.658 . . . . 0.0 115.598 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -69.93 -35.55 74.64 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.373 -0.83 . . . . 0.0 112.295 177.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.51 -44.77 73.96 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.56 -0.712 . . . . 0.0 111.484 172.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.99 -47.23 68.39 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.146 0.978 . . . . 0.0 111.161 170.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.9 t -57.52 -48.39 79.4 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.113 0.87 . . . . 0.0 111.188 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.21 -49.87 74.65 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 p -65.22 -52.23 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 119.792 1.178 . . . . 0.0 111.882 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.504 ' HG1' HD22 ' B' ' 75' ' ' LEU . 7.4 m -71.61 -35.91 70.63 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.156 0.889 . . . . 0.0 111.951 -164.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.62 94.27 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.544 0.611 . . . . 0.0 112.194 172.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 tt -73.0 -35.0 66.74 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.422 -0.799 . . . . 0.0 111.627 177.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . 0.486 ' CZ3' HD21 ' B' ' 114' ' ' LEU . 0.1 OUTLIER -63.49 -29.42 70.7 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.73 -1.231 . . . . 0.0 113.103 165.477 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.04 -41.18 98.65 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.37 0.986 . . . . 0.0 113.247 175.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -84.13 -18.19 37.62 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 175.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.7 137.87 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 121.694 0.759 . . . . 0.0 112.971 -172.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -83.48 72.23 10.27 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.708 1.203 . . . . 0.0 110.173 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 76.2 t -41.69 -49.03 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 125.581 1.552 . . . . 0.0 115.171 -164.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.91 -49.89 74.37 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.992 1.317 . . . . 0.0 114.29 174.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -70.18 -55.13 10.11 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.152 0.581 . . . . 0.0 110.63 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.49 -37.53 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 124.638 1.175 . . . . 0.0 112.249 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.43 -42.75 26.71 Favored Glycine 0 C--N 1.339 0.711 0 C-N-CA 123.876 0.751 . . . . 0.0 111.376 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.42 -43.76 97.18 Favored Glycine 0 CA--C 1.525 0.688 0 CA-C-N 117.899 0.85 . . . . 0.0 112.561 170.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.77 -43.85 87.59 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.239 1.019 . . . . 0.0 111.81 175.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.29 -50.38 60.51 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 120.734 -1.229 . . . . 0.0 113.129 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 tp -62.02 -47.04 86.51 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.91 -45.17 81.61 Favored Glycine 0 CA--C 1.524 0.598 0 CA-C-O 118.636 -1.091 . . . . 0.0 113.515 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.436 ' HD2' ' SD ' ' B' ' 55' ' ' MET . 3.6 mpt_? -65.76 -44.37 86.09 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.448 1.624 . . . . 0.0 111.793 174.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.35 -47.73 62.67 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.261 1.391 . . . . 0.0 110.863 170.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.473 ' HA ' ' HG1' ' B' ' 38' ' ' THR . 60.8 mt -61.1 2.47 0.13 Allowed 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -178.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 m -135.69 -27.97 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.528 1.531 . . . . 0.0 114.275 177.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -24.13 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 121.106 1.775 . . . . 0.0 111.319 165.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -128.58 68.28 77.88 Favored Pre-proline 0 CA--C 1.531 0.222 0 C-N-CA 124.149 0.98 . . . . 0.0 109.674 -169.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -61.59 -18.9 62.56 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.855 3.037 . . . . 0.0 114.777 -163.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -32.22 49.47 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.16 0.984 . . . . 0.0 113.287 166.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.473 ' HG1' ' HA ' ' B' ' 32' ' ' LEU . 81.2 p -59.28 -10.51 3.04 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.414 -1.429 . . . . 0.0 114.766 172.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -50.88 -34.74 29.46 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 117.433 -1.27 . . . . 0.0 113.871 172.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -38.38 64.01 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 122.101 2.228 . . . . 0.0 113.531 -173.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -72.91 -6.68 46.8 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.795 1.238 . . . . 0.0 113.423 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -16.54 13.57 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 172.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -50.58 -25.89 4.66 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 166.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -106.32 -28.87 10.12 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.867 1.267 . . . . 0.0 113.06 173.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -79.24 -17.09 55.43 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.64 -176.31 20.27 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.181 0.896 . . . . 0.0 112.874 -169.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 27.61 -96.75 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 128.092 2.557 . . . . 0.0 115.186 173.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 tt 53.98 -16.23 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 128.877 2.871 . . . . 0.0 117.743 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 6.0 t -59.09 -14.81 11.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.882 2.073 . . . . 0.0 115.248 -170.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' THR . . . . . 0.604 ' HG1' ' H ' ' B' ' 53' ' ' ALA . 18.6 p -130.05 155.17 81.09 Favored Pre-proline 0 N--CA 1.472 0.661 0 C-N-CA 124.487 1.115 . . . . 0.0 111.658 169.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -41.81 -52.74 3.75 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 124.839 3.693 . . . . 0.0 116.039 165.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.18 -34.8 76.97 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 122.987 0.515 . . . . 0.0 112.051 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.604 ' H ' ' HG1' ' B' ' 50' ' ' THR . . . -60.69 -55.75 29.5 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 122.089 -0.382 . . . . 0.0 110.874 172.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.6 -30.92 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -173.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' MET . . . . . 0.436 ' SD ' ' HD2' ' B' ' 30' ' ' ARG . 2.5 tpp -76.5 -35.33 58.42 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 175.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.85 -35.25 54.8 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 121.694 -0.629 . . . . 0.0 113.629 176.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -52.0 116.51 8.36 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 125.218 1.407 . . . . 0.0 114.127 -168.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -64.55 -27.97 61.59 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.605 2.203 . . . . 0.0 113.155 -174.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -71.23 -31.5 67.64 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 121.083 -1.011 . . . . 0.0 112.874 174.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 97.7 t -65.25 -41.44 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 CA-C-N 118.622 0.646 . . . . 0.0 110.381 167.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -61.42 -46.25 90.9 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.939 0.791 . . . . 0.0 112.612 171.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.37 -47.51 78.99 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.566 1.146 . . . . 0.0 113.221 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -60.09 -39.18 85.25 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.126 -0.984 . . . . 0.0 110.699 169.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -47.99 -52.43 16.86 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 125.971 1.748 . . . . 0.0 114.317 167.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -55.43 -45.31 76.78 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 118.068 0.934 . . . . 0.0 111.448 173.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -63.63 -53.16 55.91 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.293 1.037 . . . . 0.0 113.364 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.59 -48.19 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-N 120.058 1.299 . . . . 0.0 111.786 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.4 tt -69.31 -39.36 78.3 Favored 'General case' 0 C--O 1.223 -0.306 0 O-C-N 121.665 -0.647 . . . . 0.0 111.4 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.3 -34.74 59.49 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.332 0.968 . . . . 0.0 112.912 176.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.19 -44.17 89.26 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.034 0.917 . . . . 0.0 112.458 168.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -58.94 -40.79 85.73 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 120.588 -1.32 . . . . 0.0 110.88 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -67.18 -42.59 83.99 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.457 1.103 . . . . 0.0 112.975 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -58.99 -36.5 75.0 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.679 0.792 . . . . 0.0 111.324 170.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.35 -58.13 16.17 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 123.866 0.746 . . . . 0.0 111.512 168.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.504 HD22 ' HG1' ' B' ' 12' ' ' THR . 10.8 mt -55.09 -30.49 59.8 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 118.513 1.157 . . . . 0.0 113.88 177.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.39 -23.31 40.52 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 173.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -143.53 58.35 1.38 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.432 1.893 . . . . 0.0 112.332 -173.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 90.6 mt -68.47 -7.56 33.11 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.1 -1.0 . . . . 0.0 113.288 175.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -64.8 -27.6 68.99 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -176.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.04 90.37 0.83 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.298 1.039 . . . . 0.0 112.675 170.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 mt -59.87 -40.32 88.25 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.106 -0.996 . . . . 0.0 112.76 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -57.72 -29.09 64.44 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.363 1.065 . . . . 0.0 112.665 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -92.0 -48.18 3.18 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 125.097 1.332 . . . . 0.0 113.175 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.6 t -64.97 -23.06 67.11 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 118.839 1.32 . . . . 0.0 112.621 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -110.89 16.08 21.46 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 124.759 1.224 . . . . 0.0 113.847 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.29 -44.54 72.01 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 120.957 1.708 . . . . 0.0 113.122 -177.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 17.5 p -62.94 -40.93 99.14 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.785 1.234 . . . . 0.0 112.595 173.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 21.3 mt -68.56 -39.57 80.98 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.789 -0.569 . . . . 0.0 111.51 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.432 ' HG ' ' HB3' ' B' ' 143' ' ' HIS . 8.5 t -61.36 -46.38 90.47 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 124.234 1.014 . . . . 0.0 110.946 175.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -57.9 -49.71 75.8 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.71 0.804 . . . . 0.0 112.433 171.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.4 tp -51.5 -56.61 12.42 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.936 0.894 . . . . 0.0 111.296 173.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -74.44 20.62 0.11 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.7 1.6 . . . . 0.0 113.707 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 94.2 m -136.32 -74.01 0.44 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.559 1.544 . . . . 0.0 110.702 171.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.93 -29.2 70.13 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.153 1.781 . . . . 0.0 113.551 -175.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.25 -44.39 8.35 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.678 0.791 . . . . 0.0 111.559 170.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . 0.408 ' C ' ' H ' ' B' ' 98' ' ' VAL . 0.6 OUTLIER -153.88 76.1 1.05 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.087 1.355 . . . . 0.0 113.403 -173.602 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -53.86 33.16 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 129.72 3.208 . . . . 0.0 115.009 163.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' VAL . . . . . 0.492 HG12 HH21 ' C' ' 92' ' ' ARG . 14.0 t -55.7 143.65 8.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 127.489 2.316 . . . . 0.0 111.998 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.61 126.93 1.47 Allowed Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 124.959 1.303 . . . . 0.0 113.398 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.54 -25.59 34.79 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.521 2.148 . . . . 0.0 113.91 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -59.6 -39.6 84.71 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 120.929 1.695 . . . . 0.0 111.159 177.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -57.64 -25.81 60.69 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -72.66 -45.27 59.78 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.253 0.933 . . . . 0.0 109.917 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -44.46 83.34 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.828 1.251 . . . . 0.0 110.571 172.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.25 -46.92 86.68 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.127 0.971 . . . . 0.0 111.392 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.4 tt -53.86 -45.39 70.97 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.459 1.027 . . . . 0.0 110.678 174.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -52.93 -55.15 25.1 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 123.29 0.471 . . . . 0.0 113.138 172.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -58.96 -36.26 74.52 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 89.5 t -67.25 -52.55 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 O-C-N 121.365 -0.834 . . . . 0.0 110.181 176.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 34.0 tp -55.08 -52.84 61.96 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 118.764 0.711 . . . . 0.0 111.574 -174.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 35.2 m -56.42 -34.61 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 7.8 t -69.31 -35.48 76.02 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.801 -0.562 . . . . 0.0 111.393 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . 0.437 HG11 ' CE2' ' A' ' 117' ' ' PHE . 0.7 OUTLIER -69.58 -36.75 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 O-C-N 121.213 -0.929 . . . . 0.0 111.793 176.002 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 0.486 HD21 ' CZ3' ' B' ' 15' ' ' TRP . 3.7 mp -67.36 -38.37 84.69 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.909 0.777 . . . . 0.0 112.324 172.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.55 -24.51 32.7 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 169.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -53.17 6.91 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 169.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.89 -26.49 65.14 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.976 0.807 . . . . 0.0 113.054 -174.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -133.83 23.65 3.94 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.103 1.361 . . . . 0.0 112.391 -170.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -46.24 -37.68 8.23 Favored Glycine 0 N--CA 1.476 1.331 0 C-N-CA 125.564 1.554 . . . . 0.0 116.646 -172.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -61.3 -30.59 70.58 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.288 1.435 . . . . 0.0 113.382 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -103.7 -11.51 17.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.63 1.972 . . . . 0.0 112.596 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -81.99 60.49 4.85 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.104 1.362 . . . . 0.0 112.772 -174.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 33.5 p -53.41 159.08 2.43 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 125.907 1.683 . . . . 0.0 113.353 -174.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -49.2 -50.03 13.91 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 121.896 1.731 . . . . 0.0 114.315 172.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -65.33 -23.1 59.34 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 CA-C-N 121.239 1.478 . . . . 0.0 115.168 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.14 -41.26 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 121.643 2.02 . . . . 0.0 111.796 175.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -58.1 -47.27 83.75 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.85 0.75 . . . . 0.0 110.644 173.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.1 -31.33 72.49 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 176.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.26 -50.64 59.68 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.481 0.712 . . . . 0.0 110.02 175.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -55.96 -49.16 74.32 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 171.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -60.09 -34.15 73.08 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 118.659 -0.686 . . . . 0.0 112.599 -176.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -68.19 -38.71 82.29 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 171.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 18.8 t -64.45 -43.86 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 CA-C-N 120.097 1.317 . . . . 0.0 110.638 171.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 45.8 t -84.07 -30.39 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -167.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.14 -44.05 92.06 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.627 1.103 . . . . 0.0 110.938 163.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.82 -48.97 82.59 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 123.741 0.686 . . . . 0.0 113.234 171.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.96 -47.38 83.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.453 1.101 . . . . 0.0 111.938 175.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.4 89.11 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.083 0.856 . . . . 0.0 111.53 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -62.09 -39.06 91.17 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.849 -0.532 . . . . 0.0 112.085 175.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.44 -44.09 83.83 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.655 0.782 . . . . 0.0 112.109 173.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.52 -24.92 66.45 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.788 -1.195 . . . . 0.0 112.749 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.67 -2.51 57.62 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 169.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 143' ' ' HIS . . . . . 0.432 ' HB3' ' HG ' ' B' ' 89' ' ' SER . 56.1 t60 -57.81 -38.77 76.15 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 119.673 -1.892 . . . . 0.0 113.627 -175.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -69.21 6.06 1.08 Allowed 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 174.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -73.03 9.96 1.05 Allowed 'General case' 0 CA--C 1.558 1.288 0 CA-C-N 120.264 1.393 . . . . 0.0 112.847 171.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.342 0 C-N-CA 127.154 2.181 . . . . 0.0 114.54 174.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.514 2.772 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -130.26 -169.42 2.13 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 121.659 2.027 . . . . 0.0 111.055 -174.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t 150.3 -35.77 0.0 OUTLIER Pre-proline 0 N--CA 1.496 1.852 0 C-N-CA 130.014 3.326 . . . . 0.0 115.325 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -57.62 -176.32 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 124.554 3.502 . . . . 0.0 116.009 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.39 -27.47 1.08 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -54.61 -44.09 72.79 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.675 1.19 . . . . 0.0 113.336 171.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -58.48 -50.83 72.32 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.824 0.849 . . . . 0.0 110.51 171.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 51.1 m -57.23 -42.34 81.25 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.939 0.896 . . . . 0.0 111.737 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.16 -41.43 77.26 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.13 0.972 . . . . 0.0 112.419 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 87.2 t -67.88 -38.38 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 119.447 1.021 . . . . 0.0 111.939 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -56.95 -47.71 80.05 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.631 1.173 . . . . 0.0 111.758 169.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.76 -51.32 70.49 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.321 0.648 . . . . 0.0 111.541 175.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.59 -54.56 45.73 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.085 0.554 . . . . 0.0 112.088 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -63.83 -29.25 70.46 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.353 -0.842 . . . . 0.0 113.016 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.1 -39.38 96.24 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.461 1.029 . . . . 0.0 113.303 170.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -69.09 -38.15 78.82 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 118.526 1.163 . . . . 0.0 111.567 171.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.48 -52.88 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.731 1.212 . . . . 0.0 111.555 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.62 -128.7 3.98 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.382 0.992 . . . . 0.0 114.445 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.36 -21.88 51.55 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -72.9 -8.11 54.09 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 175.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.73 -50.13 45.37 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.097 0.862 . . . . 0.0 113.092 -178.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.41 -36.68 93.48 Favored Glycine 0 N--CA 1.471 0.997 0 CA-C-N 118.221 0.464 . . . . 0.0 113.55 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.15 -49.93 73.9 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.59 1.156 . . . . 0.0 111.386 171.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -63.54 -37.3 86.79 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.407 1.003 . . . . 0.0 112.362 175.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.4 -60.14 9.31 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 124.376 0.989 . . . . 0.0 111.639 170.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.83 -49.11 71.85 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.638 1.175 . . . . 0.0 112.242 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -59.78 -33.47 71.74 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.728 1.211 . . . . 0.0 113.17 174.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.65 -36.29 70.65 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 119.067 0.849 . . . . 0.0 111.874 174.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 mt -62.31 -49.3 76.17 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.721 0.691 . . . . 0.0 110.346 170.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -56.01 -54.2 47.7 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.117 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 69.3 mtt85 -51.58 -51.38 55.96 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 117.892 -1.051 . . . . 0.0 111.272 174.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 56.9 ttp -53.8 -44.65 70.32 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.99 0.814 . . . . 0.0 113.065 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -67.27 -25.47 66.08 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 pp -111.98 -17.91 12.76 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -175.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 81.7 p -82.49 -28.48 31.14 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.15 1.38 . . . . 0.0 112.86 164.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -141.6 70.78 25.75 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 124.868 1.267 . . . . 0.0 110.832 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -46.94 -27.92 6.46 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 124.968 3.778 . . . . 0.0 116.491 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.52 -16.15 1.39 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.787 2.035 . . . . 0.0 114.527 171.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 50.0 p -80.07 -23.28 41.44 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 120.591 -1.318 . . . . 0.0 113.699 173.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -58.91 -32.23 69.36 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 120.087 1.312 . . . . 0.0 113.675 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 15.2 t -62.87 -26.22 68.67 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -74.65 3.88 7.12 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.222 1.009 . . . . 0.0 112.604 174.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -126.48 62.75 49.61 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 127.106 2.162 . . . . 0.0 110.613 176.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -73.6 2.41 5.84 Favored 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 124.377 3.385 . . . . 0.0 115.591 -172.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -139.91 25.67 2.31 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.936 1.295 . . . . 0.0 113.017 -169.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.91 167.27 13.78 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.671 1.189 . . . . 0.0 113.56 -164.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -117.63 110.74 18.27 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.073 1.349 . . . . 0.0 109.65 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -79.99 3.81 18.92 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.895 1.278 . . . . 0.0 112.97 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 28.4 m -49.64 138.33 14.28 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.883 1.673 . . . . 0.0 112.411 175.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.41 127.53 32.52 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.886 -0.509 . . . . 0.0 111.549 -177.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.11 15.38 81.66 Favored Glycine 0 CA--C 1.538 1.493 0 CA-C-O 118.782 -1.01 . . . . 0.0 115.426 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 23.3 t -48.15 121.76 4.59 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.484 1.513 . . . . 0.0 113.539 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.35 -36.68 54.17 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.724 1.209 . . . . 0.0 112.979 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -66.92 -38.08 85.53 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.217 0.607 . . . . 0.0 111.957 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.91 -40.21 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.258 0.623 . . . . 0.0 111.209 176.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -59.82 -51.41 69.87 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.981 0.809 . . . . 0.0 110.595 172.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.93 -47.36 91.39 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 125.004 1.287 . . . . 0.0 113.348 -177.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -64.05 -40.87 97.23 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 118.043 0.921 . . . . 0.0 111.583 172.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.41 -48.56 54.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 121.198 -0.939 . . . . 0.0 113.7 171.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -57.58 -39.63 77.18 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.97 0.908 . . . . 0.0 112.152 172.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -47.95 69.14 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 176.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 66.7 t -56.53 -44.68 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 CA-C-N 120.395 1.452 . . . . 0.0 111.179 173.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.83 -51.43 69.75 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -59.97 -34.65 73.58 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.255 0.622 . . . . 0.0 111.532 178.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.03 82.36 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.795 -1.19 . . . . 0.0 114.058 169.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.24 -39.97 93.42 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.75 1.159 . . . . 0.0 111.286 169.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 55.7 m -60.64 -43.59 97.39 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.583 1.083 . . . . 0.0 112.376 170.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -60.76 -42.96 98.48 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.911 1.685 . . . . 0.0 112.031 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.28 -51.89 67.62 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 121.241 -0.912 . . . . 0.0 111.17 168.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 13.9 t -54.51 -31.76 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.786 1.234 . . . . 0.0 113.395 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.76 -24.86 56.1 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -138.9 19.0 2.65 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.702 1.201 . . . . 0.0 113.858 -168.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.66 -25.75 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 120.192 -1.567 . . . . 0.0 114.531 -170.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -80.44 -9.15 59.76 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 121.087 -1.008 . . . . 0.0 113.225 175.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -135.16 20.94 3.44 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 128.195 2.598 . . . . 0.0 111.433 -175.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 6.7 ttm -58.89 -32.7 13.6 Favored Pre-proline 0 CA--C 1.55 0.948 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 -162.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -53.6 23.62 0.02 OUTLIER 'Trans proline' 0 CA--C 1.554 1.515 1 C-N-CA 127.235 5.29 . . . . 0.0 119.014 168.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -143.75 -40.71 0.29 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 127.208 2.203 . . . . 0.0 110.821 173.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.89 80.35 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 19.1 mt -92.48 6.19 48.03 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 72.6 m -58.13 -33.27 68.99 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 120.262 1.392 . . . . 0.0 114.68 -174.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.34 -33.32 73.42 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.001 -1.062 . . . . 0.0 112.701 171.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.7 mt -80.81 -39.93 25.85 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.381 1.072 . . . . 0.0 111.386 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 93.3 p -66.81 -33.07 74.81 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 118.491 -0.766 . . . . 0.0 111.941 170.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -53.73 52.83 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.661 1.119 . . . . 0.0 111.239 168.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 31.4 tp -52.16 -65.02 0.63 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.144 0.578 . . . . 0.0 110.461 171.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.17 7.51 0.13 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.268 1.827 . . . . 0.0 115.329 -173.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -130.25 -34.79 1.61 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.247 1.419 . . . . 0.0 112.931 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -79.87 -34.67 39.02 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.696 0.798 . . . . 0.0 112.638 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -154.45 119.66 5.04 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.872 1.269 . . . . 0.0 111.168 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 69.87 93.95 0.08 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.152 1.781 . . . . 0.0 110.113 -173.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . 0.492 HH21 HG12 ' B' ' 98' ' ' VAL . 0.0 OUTLIER -62.76 -10.76 14.02 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 117.441 2.386 . . . . 0.0 117.441 -172.375 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 38.1 t 30.56 89.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 128.412 2.685 . . . . 0.0 114.266 -173.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.13 135.31 68.17 Favored Pre-proline 0 CA--C 1.546 0.793 0 CA-C-O 117.912 -1.042 . . . . 0.0 112.087 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -45.34 -30.51 5.53 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.554 2.836 . . . . 0.0 115.833 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 5.2 p -57.07 -40.4 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 120.809 -1.182 . . . . 0.0 112.659 174.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -68.86 -35.36 76.83 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 120.907 -1.121 . . . . 0.0 112.211 -175.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.84 -46.91 64.54 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 118.004 0.365 . . . . 0.0 110.32 168.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -63.78 -39.33 93.99 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.082 0.553 . . . . 0.0 110.504 -174.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 68.5 mt -58.85 -56.22 25.08 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.558 0.743 . . . . 0.0 111.324 172.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . 0.489 HD21 HMC1 ' C' ' 201' ' ' HEC . 0.2 OUTLIER -64.06 -37.15 86.39 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.416 -0.803 . . . . 0.0 111.585 -178.321 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 48.0 t -59.21 -48.4 81.75 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.748 1.219 . . . . 0.0 112.142 173.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -56.83 -44.08 81.71 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 121.051 -1.03 . . . . 0.0 111.615 172.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 72.3 m -63.7 -37.67 88.23 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 175.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 34.8 mt -61.16 -46.73 89.32 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.478 1.035 . . . . 0.0 111.695 172.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 74.4 mt -53.32 -47.56 69.17 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.588 1.085 . . . . 0.0 110.811 174.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 4.5 t -56.02 -48.32 78.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 118.814 -0.612 . . . . 0.0 112.435 174.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 1.4 p -67.96 -40.22 83.22 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.754 1.616 . . . . 0.0 113.351 177.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.04 -44.04 87.15 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 119.715 1.143 . . . . 0.0 110.132 175.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.66 -31.13 64.1 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 175.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.47 -8.03 23.55 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -135.27 -43.65 0.7 Allowed 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.583 1.083 . . . . 0.0 113.84 -177.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.69 166.54 41.7 Favored Pre-proline 0 CA--C 1.564 1.509 0 CA-C-O 118.654 -0.688 . . . . 0.0 109.453 172.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -58.77 -136.4 0.0 OUTLIER 'Trans proline' 0 CA--C 1.55 1.317 1 C-N-CA 125.719 4.279 . . . . 0.0 115.796 174.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.28 27.88 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.103 0 O-C-N 119.113 -2.242 . . . . 0.0 114.643 172.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.4 -19.51 2.21 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 129.323 3.049 . . . . 0.0 117.107 -151.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 117' ' ' PHE . . . . . 0.437 ' CE2' HG11 ' D' ' 113' ' ' VAL . 20.6 p90 -74.11 37.78 0.1 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.588 1.955 . . . . 0.0 109.621 161.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.12 167.65 30.05 Favored Pre-proline 0 N--CA 1.486 1.363 0 C-N-CA 126.074 1.75 . . . . 0.0 112.16 -170.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.99 -40.01 59.13 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.035 1.823 . . . . 0.0 114.94 174.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.65 -58.45 2.8 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.894 0.478 . . . . 0.0 110.055 174.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.74 -30.21 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 120.944 -1.098 . . . . 0.0 112.627 -168.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.54 -49.84 56.47 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 120.15 1.341 . . . . 0.0 111.935 170.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.12 -39.92 79.93 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.921 0.782 . . . . 0.0 110.237 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 20.1 m -58.95 -60.88 3.15 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 125.551 1.54 . . . . 0.0 111.932 174.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 52.1 mt -64.87 -39.49 93.63 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 117.926 -1.035 . . . . 0.0 112.094 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -55.52 -56.42 20.42 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 120.421 1.464 . . . . 0.0 111.89 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -33.15 71.31 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -69.1 -50.15 50.72 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.572 1.078 . . . . 0.0 111.354 176.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.43 -39.51 87.69 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.082 0.855 . . . . 0.0 110.557 172.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.11 80.6 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.927 1.239 . . . . 0.0 113.201 172.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 12.1 p -68.38 -40.83 81.27 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.875 1.216 . . . . 0.0 112.555 171.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 78.8 t -55.13 -50.45 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 171.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 47.3 t -50.65 -62.07 1.82 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.433 1.093 . . . . 0.0 112.325 171.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 51.6 m -47.37 -34.97 7.6 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.039 1.336 . . . . 0.0 113.465 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 90.6 t -83.74 -45.2 18.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 123.565 0.746 . . . . 0.0 111.825 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.96 -27.97 69.22 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 120.967 -1.083 . . . . 0.0 113.256 175.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 36.7 p -103.34 11.25 36.89 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 127.267 2.227 . . . . 0.0 112.507 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 39.8 t -39.36 113.74 0.35 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.76 1.624 . . . . 0.0 113.074 -175.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -59.69 -39.72 85.49 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.231 1.012 . . . . 0.0 113.009 -163.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 18.7 t80 48.93 -149.52 0.2 Allowed 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 125.103 1.361 . . . . 0.0 112.999 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 . . . . . 0 C--O 1.254 1.332 0 C-N-CA 127.19 2.196 . . . . 0.0 111.428 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.301 4.8 p . . . . . 0 N--CA 1.515 2.79 0 CA-C-O 116.828 -1.558 . . . . 0.0 113.741 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -1.25 88.77 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 128.505 2.722 . . . . 0.0 115.636 -170.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.38 161.87 18.85 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.873 178.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.0 148.81 94.67 Favored Pre-proline 0 N--CA 1.477 0.9 0 CA-C-O 118.397 -0.811 . . . . 0.0 109.065 163.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -52.61 -41.83 66.11 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.462 2.774 . . . . 0.0 115.619 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -70.02 -35.61 74.47 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.366 -0.834 . . . . 0.0 112.346 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.53 -44.43 74.61 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.592 -0.693 . . . . 0.0 111.551 172.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.99 -47.12 68.46 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.113 0.965 . . . . 0.0 111.149 170.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 25.2 t -57.82 -48.34 80.03 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.991 0.814 . . . . 0.0 111.13 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.08 -49.96 74.25 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 p -65.39 -52.05 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.719 1.145 . . . . 0.0 111.761 175.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -71.85 -35.76 69.96 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.074 0.852 . . . . 0.0 111.83 -164.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.61 94.08 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.648 0.658 . . . . 0.0 112.199 172.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 tt -72.87 -34.99 67.08 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.496 -0.753 . . . . 0.0 111.656 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 15' ' ' TRP . . . . . 0.48 ' CZ3' HD21 ' D' ' 114' ' ' LEU . 0.1 OUTLIER -63.58 -29.2 70.49 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 120.563 -1.335 . . . . 0.0 112.965 165.616 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.44 -41.22 98.11 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.32 0.962 . . . . 0.0 113.332 175.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -83.85 -18.13 38.58 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.81 138.02 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.706 0.765 . . . . 0.0 113.004 -172.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -83.65 72.25 10.33 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.69 1.196 . . . . 0.0 110.298 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 75.4 t -41.76 -48.97 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -164.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -49.67 75.02 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.952 1.301 . . . . 0.0 114.246 174.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -70.3 -55.18 9.83 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.101 0.561 . . . . 0.0 110.616 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.45 -37.39 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.607 1.163 . . . . 0.0 112.365 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.39 -42.71 27.07 Favored Glycine 0 C--N 1.339 0.729 0 C-N-CA 123.898 0.761 . . . . 0.0 111.386 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.6 -43.66 97.48 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 117.812 0.806 . . . . 0.0 112.629 170.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -43.74 87.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 118.044 0.922 . . . . 0.0 111.753 175.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.46 -50.41 59.28 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 120.636 -1.29 . . . . 0.0 112.967 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -62.19 -46.68 87.84 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 175.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.82 -45.29 80.25 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 124.562 1.077 . . . . 0.0 113.581 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 30' ' ' ARG . . . . . 0.439 ' HD2' ' SD ' ' D' ' 55' ' ' MET . 3.7 mpt_? -65.83 -44.04 86.75 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.376 1.588 . . . . 0.0 111.834 174.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.84 -47.48 64.38 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 120.144 1.338 . . . . 0.0 110.768 170.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . 0.485 HD21 ' HG1' ' D' ' 38' ' ' THR . 59.5 mt -61.27 2.5 0.14 Allowed 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -178.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 m -135.91 -28.08 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.784 1.633 . . . . 0.0 114.113 177.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -24.01 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 CA-C-N 121.547 1.976 . . . . 0.0 111.287 165.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -128.32 68.23 76.74 Favored Pre-proline 0 CA--C 1.53 0.177 0 C-N-CA 124.11 0.964 . . . . 0.0 109.764 -169.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -61.55 -19.04 63.14 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 124.009 3.14 . . . . 0.0 114.766 -163.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -32.15 49.16 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.181 -0.95 . . . . 0.0 113.269 167.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 38' ' ' THR . . . . . 0.485 ' HG1' HD21 ' D' ' 32' ' ' LEU . 81.1 p -59.27 -10.54 3.06 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 172.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -50.94 -34.68 29.74 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 117.251 -1.357 . . . . 0.0 113.859 173.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -38.32 64.16 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 122.204 2.275 . . . . 0.0 113.465 -173.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -72.87 -6.81 47.54 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.736 1.214 . . . . 0.0 113.431 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -16.57 13.42 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 172.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -50.66 -25.63 4.49 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 166.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -106.45 -28.84 10.07 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.858 1.263 . . . . 0.0 112.997 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -79.28 -17.06 55.42 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.338 0.972 . . . . 0.0 113.613 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.65 -176.46 20.03 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.051 0.834 . . . . 0.0 112.98 -169.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 27.56 -96.7 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.975 2.51 . . . . 0.0 115.271 173.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 tt 54.06 -16.34 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 128.82 2.848 . . . . 0.0 117.692 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 6.1 t -59.09 -14.93 11.45 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.998 2.119 . . . . 0.0 115.254 -170.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 50' ' ' THR . . . . . 0.609 ' HG1' ' H ' ' D' ' 53' ' ' ALA . 18.5 p -130.0 155.2 81.01 Favored Pre-proline 0 N--CA 1.475 0.793 0 C-N-CA 124.399 1.08 . . . . 0.0 111.664 169.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -41.78 -52.93 3.62 Favored 'Trans proline' 0 CA--C 1.535 0.535 0 C-N-CA 124.791 3.661 . . . . 0.0 116.081 165.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.92 -34.88 77.46 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.939 0.496 . . . . 0.0 112.097 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . 0.609 ' H ' ' HG1' ' D' ' 50' ' ' THR . . . -60.51 -55.76 29.5 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.138 0.426 . . . . 0.0 111.007 172.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.55 -31.19 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -173.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 55' ' ' MET . . . . . 0.439 ' SD ' ' HD2' ' D' ' 30' ' ' ARG . 2.5 tpp -76.44 -35.11 58.68 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 175.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.02 -35.29 54.1 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-N 118.337 0.517 . . . . 0.0 113.527 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -51.84 116.49 8.18 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.149 1.38 . . . . 0.0 114.136 -168.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -64.47 -28.08 62.22 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.685 2.257 . . . . 0.0 113.217 -174.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -71.1 -31.46 67.82 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 121.181 -0.949 . . . . 0.0 113.03 174.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 97.9 t -65.32 -41.44 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 O-C-N 121.616 -0.677 . . . . 0.0 110.38 167.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 19.9 mtmm -61.32 -46.45 90.23 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 118.873 0.76 . . . . 0.0 112.561 171.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.26 -47.45 79.53 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.545 1.138 . . . . 0.0 113.274 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -60.21 -39.05 85.22 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.073 -1.017 . . . . 0.0 110.741 169.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -47.92 -52.56 16.24 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 126.011 1.767 . . . . 0.0 114.29 167.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -55.36 -45.37 76.5 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 118.022 0.911 . . . . 0.0 111.4 173.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 45.7 mttt -63.6 -53.16 55.95 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.28 1.032 . . . . 0.0 113.362 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 6.8 p -58.65 -48.26 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 120.066 1.303 . . . . 0.0 111.708 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tt -69.2 -39.5 78.61 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.71 -0.619 . . . . 0.0 111.242 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.02 -34.57 58.24 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.443 1.02 . . . . 0.0 112.909 176.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.01 88.92 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.11 0.955 . . . . 0.0 112.538 168.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 1.7 m-30 -59.05 -40.9 86.57 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.593 -1.317 . . . . 0.0 110.988 175.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m -67.6 -42.12 82.93 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.153 0.981 . . . . 0.0 112.858 175.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -58.81 -36.68 74.89 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.553 0.741 . . . . 0.0 111.513 170.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.28 -58.14 16.1 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 123.844 0.735 . . . . 0.0 111.567 168.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.7 mt -55.18 -30.42 59.85 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 118.601 1.201 . . . . 0.0 113.936 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.34 -23.27 40.69 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.104 1.361 . . . . 0.0 114.668 173.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -143.64 58.44 1.37 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.442 1.897 . . . . 0.0 112.373 -173.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 91.1 mt -68.35 -7.79 34.3 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.133 -0.979 . . . . 0.0 113.268 175.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -64.79 -27.54 68.96 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.606 1.562 . . . . 0.0 115.198 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.15 90.36 0.82 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.247 1.019 . . . . 0.0 112.707 170.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 15.9 mt -59.72 -40.5 88.23 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 121.03 -1.044 . . . . 0.0 112.711 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -57.76 -28.94 64.41 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.232 1.013 . . . . 0.0 112.632 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -92.05 -48.15 3.18 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 125.091 1.329 . . . . 0.0 113.241 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.6 t -64.93 -23.14 67.14 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 118.84 1.32 . . . . 0.0 112.663 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -110.73 15.99 21.63 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.745 1.218 . . . . 0.0 113.836 175.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.41 -44.62 72.51 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 121.072 1.76 . . . . 0.0 112.931 -177.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 17.3 p -63.03 -40.81 98.85 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.71 1.204 . . . . 0.0 112.608 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 21.0 mt -68.46 -39.49 81.42 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.721 -0.612 . . . . 0.0 111.597 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 89' ' ' SER . . . . . 0.427 ' HG ' ' HB3' ' D' ' 143' ' ' HIS . 8.5 t -61.46 -46.35 90.42 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 124.336 1.055 . . . . 0.0 110.869 175.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -58.02 -49.76 75.74 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.619 0.768 . . . . 0.0 112.36 171.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 tp -51.52 -56.43 13.43 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.291 -0.88 . . . . 0.0 111.321 173.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -74.59 20.69 0.12 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.532 1.533 . . . . 0.0 113.803 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 95.8 m -136.11 -74.23 0.44 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.722 1.609 . . . . 0.0 110.858 171.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.72 -29.11 70.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.953 1.701 . . . . 0.0 113.647 -176.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.33 -44.29 8.37 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.706 0.802 . . . . 0.0 111.534 170.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . 0.417 ' C ' ' H ' ' D' ' 98' ' ' VAL . 0.6 OUTLIER -153.98 76.1 1.05 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.02 1.328 . . . . 0.0 113.359 -173.645 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -53.86 33.19 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 129.666 3.186 . . . . 0.0 115.004 163.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 98' ' ' VAL . . . . . 0.5 HG12 HH21 ' A' ' 92' ' ' ARG . 14.1 t -55.57 143.6 8.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 127.558 2.343 . . . . 0.0 112.041 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.62 126.92 1.47 Allowed Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 124.998 1.319 . . . . 0.0 113.45 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.59 -25.7 34.37 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.444 2.096 . . . . 0.0 113.883 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -59.51 -39.63 84.47 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.917 1.689 . . . . 0.0 111.136 177.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -57.5 -25.89 60.48 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 176.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -72.57 -45.24 60.13 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.17 0.988 . . . . 0.0 109.86 174.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.17 -44.46 83.55 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.811 1.244 . . . . 0.0 110.572 172.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.24 -46.92 86.68 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.906 0.882 . . . . 0.0 111.485 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 3.4 tt -53.76 -45.57 70.67 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.389 0.995 . . . . 0.0 110.62 174.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -52.86 -55.3 24.19 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 123.377 0.513 . . . . 0.0 113.035 172.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -58.58 -36.45 73.99 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 177.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 88.2 t -67.32 -52.67 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 O-C-N 121.246 -0.909 . . . . 0.0 110.149 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 34.1 tp -54.99 -52.59 62.62 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 118.736 0.698 . . . . 0.0 111.536 -174.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 35.0 m -56.59 -34.68 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 176.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 7.6 t -69.21 -35.7 76.49 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.878 -0.513 . . . . 0.0 111.576 177.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 113' ' ' VAL . . . . . 0.437 HG11 ' CE2' ' C' ' 117' ' ' PHE . 0.7 OUTLIER -69.25 -36.79 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 121.161 -0.962 . . . . 0.0 111.929 175.827 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 114' ' ' LEU . . . . . 0.48 HD21 ' CZ3' ' D' ' 15' ' ' TRP . 3.7 mp -67.37 -38.47 84.82 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.946 0.793 . . . . 0.0 112.367 171.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.53 -24.5 32.29 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 169.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -53.22 6.89 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 169.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -26.46 65.15 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.008 0.822 . . . . 0.0 113.137 -174.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -133.87 23.52 3.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.991 1.316 . . . . 0.0 112.413 -170.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -46.0 -37.69 7.74 Favored Glycine 0 N--CA 1.479 1.519 0 C-N-CA 125.536 1.541 . . . . 0.0 116.646 -172.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -61.31 -30.6 70.6 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 125.215 1.406 . . . . 0.0 113.482 175.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -103.63 -11.55 17.61 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.695 1.998 . . . . 0.0 112.607 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -81.98 60.44 4.82 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.117 1.367 . . . . 0.0 112.735 -174.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 33.9 p -53.56 159.04 2.61 Favored Pre-proline 0 N--CA 1.478 0.954 0 C-N-CA 125.954 1.702 . . . . 0.0 113.349 -174.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -48.97 -49.99 13.83 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 121.89 1.727 . . . . 0.0 114.45 172.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -65.45 -22.98 58.57 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 CA-C-N 121.393 1.533 . . . . 0.0 115.197 175.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -41.24 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 121.656 2.026 . . . . 0.0 111.864 175.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -58.37 -47.01 85.22 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 118.935 0.789 . . . . 0.0 110.637 174.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.05 72.11 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.44 -50.72 58.07 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.566 0.746 . . . . 0.0 109.999 175.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -55.69 -49.47 72.88 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 171.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -60.03 -34.09 72.9 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 118.689 -0.672 . . . . 0.0 112.642 -176.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -68.28 -38.32 81.58 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 171.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.7 -43.84 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 CA-C-N 120.009 1.277 . . . . 0.0 110.549 171.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 45.6 t -84.2 -30.16 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -167.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.98 92.57 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.702 1.137 . . . . 0.0 110.899 163.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.8 -49.05 81.78 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 123.815 0.722 . . . . 0.0 113.257 171.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.06 -47.36 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 124.4 1.08 . . . . 0.0 111.81 175.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.25 89.87 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.253 0.933 . . . . 0.0 111.7 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -62.02 -39.11 91.14 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.761 -0.587 . . . . 0.0 112.145 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.22 83.07 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.516 0.727 . . . . 0.0 112.017 174.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.4 -24.84 66.54 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.885 -1.134 . . . . 0.0 112.797 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.78 -2.45 57.7 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 169.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 143' ' ' HIS . . . . . 0.427 ' HB3' ' HG ' ' D' ' 89' ' ' SER . 56.0 t60 -57.84 -38.9 76.48 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 119.666 -1.896 . . . . 0.0 113.56 -175.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -69.14 6.12 1.04 Allowed 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 174.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -73.09 9.96 1.07 Allowed 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 120.173 1.351 . . . . 0.0 112.785 171.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.366 0 C-N-CA 127.182 2.193 . . . . 0.0 114.517 174.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.48 HMC1 HD21 ' A' ' 101' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 201' ' ' HEC . . . . . 0.489 HMC1 HD21 ' C' ' 101' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.175 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.55 -163.35 1.4 Allowed 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 121.459 1.936 . . . . 0.0 113.844 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 p -97.31 168.49 10.1 Favored Pre-proline 0 N--CA 1.481 1.115 0 C-N-CA 126.161 1.784 . . . . 0.0 112.566 -173.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -66.89 -46.62 3.17 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.733 2.288 . . . . 0.0 112.771 174.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.31 -33.6 74.62 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.157 0.583 . . . . 0.0 112.564 -172.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.77 -41.07 96.16 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-O 118.44 -0.791 . . . . 0.0 112.181 179.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -57.85 -46.84 84.2 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.756 0.707 . . . . 0.0 110.013 175.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.9 m -54.42 -47.36 72.91 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.778 0.717 . . . . 0.0 111.516 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -71.55 -33.74 69.4 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.24 -50.17 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.654 1.181 . . . . 0.0 111.147 172.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.31 -44.58 96.97 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.604 1.162 . . . . 0.0 111.271 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.23 -51.01 71.07 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.452 0.701 . . . . 0.0 111.429 176.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.21 -55.62 32.66 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.159 0.584 . . . . 0.0 111.636 174.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -62.17 -26.55 68.4 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -175.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.44 -40.98 98.19 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.689 1.138 . . . . 0.0 113.631 171.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -70.76 -38.02 73.43 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 118.462 1.131 . . . . 0.0 111.295 171.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.5 t -57.95 -50.81 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.087 0.955 . . . . 0.0 110.767 177.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.11 -128.05 3.43 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.442 1.02 . . . . 0.0 114.39 175.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.49 -23.92 64.89 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -69.78 -10.8 59.76 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.78 -45.7 29.65 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.336 0.971 . . . . 0.0 112.805 178.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.55 -41.92 95.92 Favored Glycine 0 C--N 1.338 0.687 0 CA-C-O 119.449 -0.639 . . . . 0.0 113.684 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -65.4 -39.38 92.13 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.008 0.904 . . . . 0.0 111.094 176.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -64.87 -39.8 94.12 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.364 -0.835 . . . . 0.0 112.58 174.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.63 -50.99 61.48 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 119.29 0.95 . . . . 0.0 112.518 169.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.88 -51.82 59.73 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.315 1.046 . . . . 0.0 112.025 177.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' HB3' HH12 ' A' ' 31' ' ' ARG . 0.4 OUTLIER -66.03 -36.12 82.41 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.812 0.845 . . . . 0.0 112.96 176.657 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.99 -41.07 97.63 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.69 1.132 . . . . 0.0 112.106 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.509 HD12 ' HD1' ' A' ' 58' ' ' HIS . 11.3 mt -66.76 -48.85 67.81 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.327 1.051 . . . . 0.0 111.595 178.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -62.46 -39.97 95.1 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.243 0.544 . . . . 0.0 110.742 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.418 HH12 ' HB3' ' A' ' 27' ' ' GLU . 34.2 ttm105 -64.07 -44.5 92.2 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.009 0.924 . . . . 0.0 112.053 173.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 46.2 ttp -55.44 -47.14 76.48 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.338 0.972 . . . . 0.0 111.638 171.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -53.0 -53.84 44.04 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.915 0.78 . . . . 0.0 112.291 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.1 mt -67.98 -39.57 83.27 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 120.497 0.189 . . . . 0.0 111.256 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -76.85 -30.75 56.43 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.763 1.225 . . . . 0.0 113.034 -174.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.11 78.19 65.5 Favored Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 126.184 1.794 . . . . 0.0 109.415 177.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -46.78 -31.33 10.55 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 123.992 3.128 . . . . 0.0 114.637 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.9 -38.78 7.85 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.203 1.801 . . . . 0.0 113.737 172.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 t -57.97 -32.44 67.86 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 119.378 0.99 . . . . 0.0 113.333 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -54.7 -30.63 56.37 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.811 1.244 . . . . 0.0 112.19 176.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 t -59.68 -20.47 56.46 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -60.65 -18.82 55.91 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.376 0.989 . . . . 0.0 111.939 174.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 34.09 55.44 1.68 Allowed Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 126.668 1.987 . . . . 0.0 111.86 -175.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -74.46 1.65 7.18 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 123.088 2.525 . . . . 0.0 114.323 -165.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.269 0.3 OUTLIER 105.07 -1.38 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.36 1 C-N-CA 132.271 4.229 . . . . 0.0 112.838 179.914 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.43 163.66 22.78 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -128.16 134.26 49.05 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.821 2.048 . . . . 0.0 108.431 168.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.6 mt -116.14 37.43 3.69 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.371 1.468 . . . . 0.0 110.343 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.2 p -66.02 16.57 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 129.142 2.977 . . . . 0.0 116.107 -176.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 68.47 128.51 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 128.973 2.909 . . . . 0.0 113.617 -174.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.85 25.75 69.45 Favored Glycine 0 CA--C 1.54 1.648 0 O-C-N 121.338 -0.851 . . . . 0.0 114.681 -175.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -52.49 131.16 33.46 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.674 1.59 . . . . 0.0 114.231 -171.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.94 -22.86 64.82 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.974 1.31 . . . . 0.0 113.577 172.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -85.75 -39.49 17.11 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.374 0.669 . . . . 0.0 111.448 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.94 -38.03 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.149 -0.969 . . . . 0.0 112.042 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -64.04 -38.85 92.59 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 119.598 1.09 . . . . 0.0 113.622 173.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.71 -47.26 41.62 Favored Glycine 0 N--CA 1.473 1.131 0 C-N-CA 123.973 0.797 . . . . 0.0 111.861 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.509 ' HD1' HD12 ' A' ' 29' ' ' LEU . 47.0 t-80 -60.98 -41.68 96.9 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 122.049 -0.677 . . . . 0.0 112.318 173.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.72 -50.58 48.83 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 121.387 -0.821 . . . . 0.0 112.653 170.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -56.08 -42.85 77.35 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 118.247 1.024 . . . . 0.0 113.507 171.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.66 -53.04 60.49 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.308 -0.87 . . . . 0.0 112.57 174.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.8 t -54.37 -43.72 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 119.244 0.929 . . . . 0.0 110.782 175.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.41 -50.18 74.93 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.807 1.039 . . . . 0.0 113.807 174.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.49 -38.0 82.89 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.753 1.161 . . . . 0.0 112.379 176.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.49 -35.31 80.52 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.376 -0.827 . . . . 0.0 113.172 170.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.73 -42.81 90.58 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.46 -0.775 . . . . 0.0 111.452 170.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 49.1 m -58.0 -43.68 86.76 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.885 1.22 . . . . 0.0 111.981 171.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -55.64 -49.01 74.02 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.334 1.054 . . . . 0.0 110.664 171.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.412 ' HB1' HG22 ' A' ' 132' ' ' VAL . . . -60.47 -39.02 86.1 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 175.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.23 -45.37 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 119.928 1.24 . . . . 0.0 111.189 173.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.23 -24.5 67.36 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.142 1.377 . . . . 0.0 113.478 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -132.86 35.16 3.57 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.282 1.433 . . . . 0.0 111.359 -171.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.22 -13.39 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -165.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -120.42 8.36 10.77 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.171 1.388 . . . . 0.0 113.87 169.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -129.41 -2.02 4.96 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.97 2.108 . . . . 0.0 112.524 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -68.94 -13.06 0.24 Allowed Pre-proline 0 CA--C 1.544 0.744 0 N-CA-C 118.165 2.654 . . . . 0.0 118.165 176.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -42.94 -26.59 0.73 Allowed 'Trans proline' 0 C--N 1.362 1.278 0 C-N-CA 124.087 3.191 . . . . 0.0 117.42 176.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.3 p30 -119.66 -12.56 9.25 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 169.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.16 -14.77 61.9 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.525 -1.359 . . . . 0.0 114.188 177.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 69.1 mt -107.85 7.57 28.22 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.815 1.246 . . . . 0.0 112.714 173.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.3 m -56.57 -39.43 73.46 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.024 1.283 . . . . 0.0 114.248 -175.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.13 -28.53 66.63 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.83 0.741 . . . . 0.0 112.92 174.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.21 -42.78 14.38 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.345 1.058 . . . . 0.0 110.435 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.6 t -53.97 -46.47 71.65 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.704 0.402 . . . . 0.0 111.332 169.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -53.96 -52.0 62.09 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.482 1.113 . . . . 0.0 112.094 170.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.421 HD21 ' CHA' ' A' ' 201' ' ' HEC . 62.1 tp -58.17 -25.28 61.33 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 177.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -95.65 -29.11 14.48 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.993 0.917 . . . . 0.0 112.877 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.91 -36.41 8.65 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.963 1.305 . . . . 0.0 113.621 -174.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -103.35 -10.04 18.97 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.878 1.671 . . . . 0.0 112.648 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -132.34 155.6 48.1 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 127.458 2.303 . . . . 0.0 108.989 171.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 mt 58.32 -20.35 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 128.194 2.598 . . . . 0.0 117.604 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.5 mmt-85 52.1 44.72 29.36 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 128.874 2.87 . . . . 0.0 111.825 -172.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 71.3 t -57.94 107.01 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.5 1.52 . . . . 0.0 109.784 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.66 139.26 37.88 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-O 119.04 -0.505 . . . . 0.0 110.889 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -44.9 -31.77 5.65 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 124.557 3.505 . . . . 0.0 116.896 -176.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.0 p -50.03 -41.7 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 120.357 1.435 . . . . 0.0 112.56 175.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -63.58 -31.4 72.55 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 121.128 -0.982 . . . . 0.0 112.191 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -49.64 77.1 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 119.339 0.972 . . . . 0.0 109.276 171.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -57.29 -43.66 83.36 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.89 0.852 . . . . 0.0 110.133 -177.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.25 -49.64 77.07 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.28 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -38.2 72.94 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.242 -0.911 . . . . 0.0 112.402 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 95.0 p -67.93 -42.31 81.23 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.926 1.239 . . . . 0.0 112.138 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -61.06 -40.79 95.01 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.522 -0.736 . . . . 0.0 110.438 169.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 92.6 m -67.44 -20.99 65.57 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 173.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 34.3 mt -76.21 -50.62 13.99 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.939 1.245 . . . . 0.0 111.273 167.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.1 mt -48.67 -44.52 37.83 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.781 0.719 . . . . 0.0 111.184 174.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.2 t -49.42 -53.09 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.527 1.531 . . . . 0.0 114.173 167.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.08 -36.75 77.95 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 120.194 1.361 . . . . 0.0 113.012 -179.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.1 mt -61.89 -46.89 87.4 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 118.779 0.718 . . . . 0.0 109.183 173.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.87 -31.26 68.4 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 176.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.75 -9.65 55.32 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -129.26 -31.99 2.04 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -174.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.86 149.99 39.95 Favored Pre-proline 0 CA--C 1.556 1.208 0 CA-C-N 119.066 0.848 . . . . 0.0 110.997 -176.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -45.33 -51.5 7.78 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 125.103 3.868 . . . . 0.0 117.325 -163.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -148.84 39.2 0.85 Allowed 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 125.176 1.39 . . . . 0.0 110.374 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -38.92 -38.26 0.42 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.239 2.216 . . . . 0.0 115.53 -168.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.21 8.62 0.06 Allowed 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 174.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.97 157.27 2.18 Favored Pre-proline 0 N--CA 1.485 1.309 0 CA-C-N 120.576 1.534 . . . . 0.0 112.244 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -49.3 -57.0 2.62 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.05 1.833 . . . . 0.0 114.367 166.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.48 -33.79 76.77 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -176.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.5 t -89.56 -46.61 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 O-C-N 121.197 -0.939 . . . . 0.0 110.811 -174.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -67.19 -41.92 85.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 117.723 -1.132 . . . . 0.0 112.874 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.03 -56.73 18.22 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 119.85 1.204 . . . . 0.0 110.007 173.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.8 m -55.05 -41.68 71.76 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.522 1.129 . . . . 0.0 113.676 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.6 mt -73.75 -41.61 62.24 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 119.087 0.858 . . . . 0.0 113.179 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -62.25 -49.89 73.9 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.866 1.212 . . . . 0.0 110.888 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -31.68 72.93 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 174.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -62.06 -55.65 26.94 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 117.876 -1.059 . . . . 0.0 111.606 169.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 32.4 mt -60.55 -31.5 70.6 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.828 1.195 . . . . 0.0 112.038 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.23 86.87 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 168.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.4 t -69.12 -43.31 74.67 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.045 -1.66 . . . . 0.0 112.337 169.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.412 HG22 ' HB1' ' A' ' 69' ' ' ALA . 59.2 t -51.4 -51.22 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 173.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.4 p -63.18 -51.98 64.23 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 116.697 -1.621 . . . . 0.0 112.733 178.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 21.7 m -48.46 -35.65 13.4 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 121.016 1.735 . . . . 0.0 112.194 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 66.8 t -77.37 -47.58 26.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 123.5 0.72 . . . . 0.0 112.179 173.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -8.28 5.47 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.494 1.518 . . . . 0.0 114.293 172.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 34.6 p -126.8 17.16 7.41 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.789 2.436 . . . . 0.0 111.263 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.2 t -42.73 151.09 0.13 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.837 2.055 . . . . 0.0 112.934 169.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -39.72 -54.99 2.0 Allowed 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.608 1.963 . . . . 0.0 115.063 -155.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -159.52 -100.86 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.476 1.11 . . . . 0.0 110.093 159.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 . . . . . 0 C--O 1.256 1.416 0 C-N-CA 127.652 2.381 . . . . 0.0 113.68 179.731 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.332 3.2 p . . . . . 0 N--CA 1.515 2.81 0 CA-C-O 116.794 -1.574 . . . . 0.0 113.126 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 20.03 77.22 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 127.877 2.471 . . . . 0.0 115.434 -174.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.66 157.53 26.97 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.154 0.582 . . . . 0.0 110.506 -179.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.53 150.59 89.83 Favored Pre-proline 0 N--CA 1.482 1.148 0 CA-C-O 118.146 -0.93 . . . . 0.0 109.108 169.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -53.76 -39.36 84.09 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.526 2.151 . . . . 0.0 114.625 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.05 -46.1 79.03 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.418 0.687 . . . . 0.0 111.831 174.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.46 -43.9 79.93 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.527 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -52.62 -53.69 43.44 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.077 1.351 . . . . 0.0 110.756 168.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t -54.3 -45.71 72.61 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.553 0.615 . . . . 0.0 111.18 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.39 -55.54 33.43 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 174.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.474 HG21 ' CZ ' ' B' ' 130' ' ' TYR . 3.3 p -60.35 -56.07 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.565 1.075 . . . . 0.0 111.269 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -66.92 -35.37 79.84 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.76 0.709 . . . . 0.0 112.745 -172.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.18 -37.85 86.61 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 120.008 1.276 . . . . 0.0 112.272 175.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -66.7 -35.59 80.49 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.434 -0.791 . . . . 0.0 110.944 171.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -31.64 72.87 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 168.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.97 -42.64 99.63 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.57 1.081 . . . . 0.0 113.58 177.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -82.73 -20.0 36.84 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.26 139.81 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.25 1.02 . . . . 0.0 113.261 -170.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.72 92.79 9.34 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 171.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 74.4 t -56.22 -31.94 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.68 0.792 . . . . 0.0 113.066 -172.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -72.23 -48.81 40.01 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.023 1.329 . . . . 0.0 113.57 174.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -82.52 -45.35 14.79 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.253 -0.904 . . . . 0.0 111.71 -175.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -30.34 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 119.062 0.846 . . . . 0.0 111.298 172.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.46 -44.44 27.23 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 119.092 0.86 . . . . 0.0 111.732 177.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.98 -45.65 94.87 Favored Glycine 0 C--N 1.337 0.618 0 CA-C-N 117.834 0.817 . . . . 0.0 112.112 170.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -66.43 -33.35 75.51 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.531 -0.982 . . . . 0.0 112.977 173.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.4 ' HA ' HG13 ' B' ' 113' ' ' VAL . . . -66.73 -57.27 7.44 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 121.206 1.821 . . . . 0.0 111.471 174.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 tp -68.06 -33.5 74.67 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 118.998 -0.525 . . . . 0.0 111.186 -176.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.01 -55.34 31.43 Favored Glycine 0 CA--C 1.525 0.676 0 CA-C-O 118.428 -1.207 . . . . 0.0 112.011 164.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.481 ' HA ' HG22 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -46.59 -37.71 8.51 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 119.455 1.628 . . . . 0.0 110.909 177.582 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.463 ' HA ' HG21 ' B' ' 109' ' ' VAL . 36.9 tp -47.88 -50.76 25.53 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.583 1.083 . . . . 0.0 111.424 175.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.51 -22.44 17.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 118.015 -0.993 . . . . 0.0 112.95 -173.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' B' ' 30' ' ' ARG . 3.7 m -56.09 -29.48 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 CA-C-N 119.75 1.159 . . . . 0.0 112.096 -177.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.467 HG21 HH11 ' B' ' 30' ' ' ARG . 0.2 OUTLIER -66.04 -2.97 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.823 1.649 . . . . 0.0 114.228 177.733 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 52.01 39.02 0.57 Allowed Pre-proline 0 CA--C 1.56 1.349 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -167.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -79.45 174.19 12.2 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.7 2.267 . . . . 0.0 112.149 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 12.1 p90 -55.36 -35.28 65.08 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.838 1.255 . . . . 0.0 113.773 170.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.43 -22.1 11.62 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.799 1.24 . . . . 0.0 114.148 170.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -56.77 -26.67 58.14 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.818 1.19 . . . . 0.0 113.055 172.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -54.83 -27.73 44.37 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.775 1.625 . . . . 0.0 113.174 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -86.94 7.97 25.17 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -52.15 -25.96 10.26 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 -177.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.39 -23.43 49.19 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.151 1.78 . . . . 0.0 113.614 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.7 p -60.55 -43.13 97.58 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.71 0.804 . . . . 0.0 112.125 170.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -74.64 -5.21 41.77 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.575 1.55 . . . . 0.0 113.967 -178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.18 22.24 49.28 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.552 1.549 . . . . 0.0 115.381 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -159.07 -125.52 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.532 1.133 . . . . 0.0 110.603 -163.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.7 tt 61.93 -6.41 0.13 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 128.308 2.643 . . . . 0.0 115.402 -174.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 3.1 m -46.26 -28.86 1.4 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.93 2.092 . . . . 0.0 116.102 -173.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 7.4 p -141.38 160.99 55.09 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.843 1.657 . . . . 0.0 111.736 168.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -58.79 -42.05 56.98 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.672 2.915 . . . . 0.0 114.931 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -65.38 -35.36 80.71 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.513 -0.742 . . . . 0.0 111.861 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.29 -49.5 73.77 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 118.699 -0.667 . . . . 0.0 112.105 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -59.41 -34.63 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-N 119.9 1.227 . . . . 0.0 113.481 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 32.3 ttm -82.28 -22.17 35.85 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.06 -19.59 23.46 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.7 1.143 . . . . 0.0 114.872 177.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -56.81 120.84 40.78 Favored Pre-proline 0 CA--C 1.545 0.752 0 C-N-CA 125.58 1.552 . . . . 0.0 113.248 -173.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -57.76 -31.09 91.29 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.64 2.227 . . . . 0.0 113.274 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -67.57 -38.0 83.44 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.578 1.081 . . . . 0.0 112.786 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.54 -37.73 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.377 170.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -64.26 -49.65 71.03 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 120.153 1.342 . . . . 0.0 112.081 173.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.94 -48.96 74.48 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.419 1.087 . . . . 0.0 112.733 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -36.13 82.55 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.873 -1.142 . . . . 0.0 111.006 172.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.23 -49.37 50.71 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 126.67 2.081 . . . . 0.0 113.523 168.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -58.12 -40.16 80.54 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.895 0.878 . . . . 0.0 112.062 172.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -66.24 -55.52 15.76 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.738 0.815 . . . . 0.0 112.473 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.81 -41.53 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 119.091 0.859 . . . . 0.0 112.226 176.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.6 tt -75.99 -40.06 54.57 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -53.09 -38.94 56.93 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.392 0.996 . . . . 0.0 112.32 173.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.22 74.63 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 117.487 0.643 . . . . 0.0 112.372 169.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -55.3 -40.38 71.02 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 120.179 -1.576 . . . . 0.0 113.181 173.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 14.4 m -64.61 -44.52 90.3 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.202 1.001 . . . . 0.0 113.142 173.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -57.7 -32.2 67.13 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.538 0.735 . . . . 0.0 111.934 171.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.28 -62.24 6.24 Favored Glycine 0 C--N 1.34 0.79 0 C-N-CA 124.107 0.86 . . . . 0.0 111.405 168.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 9.3 mt -54.21 -30.38 49.71 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.47 1.135 . . . . 0.0 113.698 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.06 -15.66 58.72 Favored 'General case' 0 CA--C 1.555 1.147 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 173.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -150.3 42.63 0.84 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.033 1.333 . . . . 0.0 113.326 -170.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.76 -14.99 57.42 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 120.165 -1.584 . . . . 0.0 114.71 -177.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -48.4 -42.0 30.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.946 1.299 . . . . 0.0 113.07 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -154.23 115.12 4.02 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.18 1.392 . . . . 0.0 109.826 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 66.6 mt -87.78 -33.11 18.76 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.207 0.603 . . . . 0.0 112.16 174.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -65.17 -15.58 62.58 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 120.423 -1.423 . . . . 0.0 113.251 -175.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.83 -46.91 2.8 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.402 1.477 . . . . 0.0 113.76 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.6 p -72.25 -24.39 61.36 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 118.871 1.336 . . . . 0.0 113.801 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -105.69 6.78 32.23 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.877 0.871 . . . . 0.0 112.882 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.72 80.0 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 120.665 1.575 . . . . 0.0 114.304 -176.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 16.5 p -65.33 -36.73 84.92 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.234 -0.917 . . . . 0.0 111.96 172.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 21.3 mt -74.99 -34.98 62.05 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 118.071 -0.966 . . . . 0.0 112.697 177.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 55.1 p -70.45 -36.11 73.74 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 120.456 1.48 . . . . 0.0 111.366 175.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.1 -53.37 59.17 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.861 0.865 . . . . 0.0 112.145 165.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 48.8 tp -52.99 -51.81 60.41 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.445 -0.784 . . . . 0.0 111.152 175.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -78.58 19.45 0.49 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.283 1.433 . . . . 0.0 114.074 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 52.7 t -136.43 -88.51 0.3 Allowed 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 174.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.66 -21.57 1.08 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.256 2.222 . . . . 0.0 116.341 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.65 -35.92 5.63 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.602 1.161 . . . . 0.0 113.223 169.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 4.2 mt -139.97 52.73 1.68 Allowed 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 125.936 1.694 . . . . 0.0 112.558 -168.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -58.33 29.38 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.673 0 C-N-CA 127.349 2.26 . . . . 0.0 114.935 172.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 8.6 p -46.25 142.5 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 O-C-N 118.945 -2.347 . . . . 0.0 111.005 173.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -59.03 129.96 86.32 Favored Pre-proline 0 CA--C 1.551 1.016 0 O-C-N 120.816 -1.177 . . . . 0.0 111.991 -172.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -51.19 -28.09 24.69 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 124.019 3.146 . . . . 0.0 116.75 -169.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.5 -30.08 39.53 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.058 -1.026 . . . . 0.0 113.102 171.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . 0.432 ' N ' HD21 ' B' ' 102' ' ' ASN . 0.8 OUTLIER -63.89 -39.96 95.41 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.037 -1.039 . . . . 0.0 111.275 175.776 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -62.35 -47.37 84.5 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.499 1.045 . . . . 0.0 111.193 173.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -57.02 -43.7 82.11 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.221 1.009 . . . . 0.0 112.164 174.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mp -59.51 -52.02 67.34 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.811 0.844 . . . . 0.0 111.612 172.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.82 -33.68 68.85 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.393 0.997 . . . . 0.0 111.817 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . 0.443 ' HA2' HG13 ' B' ' 134' ' ' VAL . . . -66.47 -47.91 66.74 Favored Glycine 0 CA--C 1.524 0.622 0 O-C-N 120.959 -1.088 . . . . 0.0 114.647 173.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.27 -33.83 76.35 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.867 1.318 . . . . 0.0 111.965 173.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.463 HG21 ' HA ' ' B' ' 31' ' ' LEU . 3.0 t -62.49 -47.47 92.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 125.56 1.544 . . . . 0.0 112.395 175.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 21.4 tp -52.66 -56.81 12.79 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 124.103 0.877 . . . . 0.0 110.324 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 19.2 m -55.99 -44.37 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 118.326 0.512 . . . . 0.0 111.897 -174.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 50.5 t -60.42 -44.46 95.73 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.03 -1.044 . . . . 0.0 113.452 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . 0.4 HG13 ' HA ' ' B' ' 27' ' ' ALA . 3.1 p -61.86 -34.67 63.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 120.528 1.513 . . . . 0.0 111.539 175.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 mt -65.07 -39.81 93.77 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 120.103 1.32 . . . . 0.0 110.299 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.28 77.77 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 174.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -61.84 -61.16 2.69 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.473 0.579 . . . . 0.0 110.46 168.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -72.98 -20.53 61.01 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -166.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -129.85 39.58 3.68 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.081 1.752 . . . . 0.0 111.588 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.81 -20.41 8.04 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 125.185 1.374 . . . . 0.0 116.203 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.44 -25.35 64.97 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 168.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -135.13 11.29 3.57 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.862 1.265 . . . . 0.0 114.096 -173.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.07 29.85 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 128.278 2.631 . . . . 0.0 117.194 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.544 ' HG1' ' H ' ' B' ' 126' ' ' VAL . 30.1 p -46.15 148.62 1.47 Allowed Pre-proline 0 N--CA 1.483 1.219 0 C-N-CA 125.265 1.426 . . . . 0.0 113.879 -165.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -45.35 -44.97 15.91 Favored 'Trans proline' 0 CA--C 1.544 0.992 0 C-N-CA 122.304 2.003 . . . . 0.0 114.533 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -64.11 -38.47 36.45 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.02 1.814 . . . . 0.0 114.605 172.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . 0.544 ' H ' ' HG1' ' B' ' 123' ' ' THR . 0.5 OUTLIER -62.33 -44.37 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 121.369 1.895 . . . . 0.0 111.846 -177.156 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -66.52 -41.95 88.01 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.92 -0.488 . . . . 0.0 110.773 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.81 97.64 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.724 0.81 . . . . 0.0 113.148 172.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.51 -49.85 75.92 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.23 1.012 . . . . 0.0 110.561 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.474 ' CZ ' HG21 ' B' ' 11' ' ' VAL . 34.1 m-85 -51.07 -49.66 60.19 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.824 -0.547 . . . . 0.0 112.184 167.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -34.44 74.89 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 117.657 -1.163 . . . . 0.0 113.21 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -68.16 -41.92 80.85 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 121.826 2.103 . . . . 0.0 113.643 176.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 2.2 p -63.49 -44.97 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 CA-C-N 120.239 1.382 . . . . 0.0 110.75 171.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . 0.443 HG13 ' HA2' ' B' ' 107' ' ' GLY . 69.8 t -69.1 -31.65 51.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -177.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.38 84.68 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 120.393 1.451 . . . . 0.0 111.055 172.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.67 -43.15 94.51 Favored Glycine 0 C--N 1.342 0.875 0 N-CA-C 112.187 -0.365 . . . . 0.0 112.187 169.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.82 -43.35 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.125 0.97 . . . . 0.0 113.286 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.75 -43.44 96.44 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.836 0.744 . . . . 0.0 110.418 176.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -66.3 -32.11 73.32 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.166 0.586 . . . . 0.0 112.405 173.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.84 -44.35 85.78 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 120.422 -1.424 . . . . 0.0 111.84 171.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 6.9 mt -65.77 -41.77 91.63 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.16 -0.963 . . . . 0.0 112.0 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.76 -13.63 62.52 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 172.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -54.14 -42.61 69.74 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.241 1.382 . . . . 0.0 112.271 -174.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -61.16 -15.05 29.59 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.8 1.64 . . . . 0.0 114.511 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -76.01 -19.91 58.26 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.603 1.161 . . . . 0.0 111.723 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 . . . . . 0 C--O 1.256 1.425 0 C-N-CA 128.065 2.546 . . . . 0.0 114.559 -177.289 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.24 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.52 -163.39 1.4 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 119.521 -1.987 . . . . 0.0 113.975 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.6 p -97.27 168.56 10.0 Favored Pre-proline 0 N--CA 1.48 1.061 0 C-N-CA 126.192 1.797 . . . . 0.0 112.585 -173.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -66.99 -46.71 2.94 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.805 2.337 . . . . 0.0 112.749 174.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.29 -33.44 74.35 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.168 0.587 . . . . 0.0 112.576 -172.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -41.0 95.92 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.192 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -57.74 -46.95 83.77 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.751 0.705 . . . . 0.0 110.03 175.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 88.3 m -54.37 -47.33 72.76 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.671 0.669 . . . . 0.0 111.624 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -71.47 -34.02 69.83 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.552 -0.717 . . . . 0.0 112.767 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.08 -50.11 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.61 1.164 . . . . 0.0 111.239 172.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.35 -44.58 96.93 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.57 1.148 . . . . 0.0 111.284 175.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.35 -50.82 71.75 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.403 0.681 . . . . 0.0 111.492 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.15 -55.75 30.88 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.121 0.569 . . . . 0.0 111.707 173.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -61.98 -26.6 68.31 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -175.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.49 -40.99 98.14 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.696 1.141 . . . . 0.0 113.587 171.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -70.83 -38.04 73.23 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 118.456 1.128 . . . . 0.0 111.287 171.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 74.2 t -57.76 -50.86 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.08 0.952 . . . . 0.0 110.885 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.02 -128.06 3.34 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.46 1.029 . . . . 0.0 114.37 175.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.42 -23.95 64.79 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -69.82 -10.82 59.85 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.035 0.934 . . . . 0.0 113.48 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.79 -45.64 29.64 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.378 0.99 . . . . 0.0 112.889 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.61 -41.89 95.8 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-O 119.435 -0.647 . . . . 0.0 113.64 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -65.46 -39.28 91.82 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 117.984 0.892 . . . . 0.0 111.199 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -64.77 -39.98 94.51 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.346 -0.846 . . . . 0.0 112.587 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.47 -50.99 61.51 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 119.345 0.975 . . . . 0.0 112.635 169.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.87 -51.85 59.58 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.354 1.061 . . . . 0.0 111.961 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . 0.424 ' HB3' HH12 ' C' ' 31' ' ' ARG . 0.4 OUTLIER -66.02 -36.21 82.64 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 123.88 0.872 . . . . 0.0 112.931 176.649 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.03 97.31 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.718 1.145 . . . . 0.0 112.221 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . 0.516 HD13 ' HD1' ' C' ' 58' ' ' HIS . 11.2 mt -66.91 -48.88 67.31 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.357 1.063 . . . . 0.0 111.595 178.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -62.3 -40.04 94.99 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.413 0.625 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . 0.424 HH12 ' HB3' ' C' ' 27' ' ' GLU . 34.2 ttm105 -63.96 -44.63 92.2 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.102 0.961 . . . . 0.0 112.055 173.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 46.5 ttp -55.29 -47.2 75.9 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.257 0.935 . . . . 0.0 111.697 171.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -52.99 -53.83 44.22 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.914 0.779 . . . . 0.0 112.306 174.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 17.1 mt -68.04 -39.64 83.02 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.241 0.217 . . . . 0.0 111.237 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -76.87 -30.87 56.44 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.775 1.23 . . . . 0.0 112.975 -174.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -132.93 78.42 65.88 Favored Pre-proline 0 CA--C 1.544 0.728 0 C-N-CA 126.255 1.822 . . . . 0.0 109.337 177.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -46.93 -31.37 11.05 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 124.064 3.176 . . . . 0.0 114.615 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.86 -38.76 7.72 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.268 1.827 . . . . 0.0 113.664 172.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 3.1 t -57.88 -32.75 68.01 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 119.439 1.018 . . . . 0.0 113.185 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -54.56 -30.62 54.65 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.904 1.281 . . . . 0.0 112.264 176.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 1.9 t -59.78 -20.37 56.3 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -60.72 -18.71 56.09 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.111 0.868 . . . . 0.0 112.021 174.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 33.99 55.47 1.65 Allowed Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 126.585 1.954 . . . . 0.0 111.843 -175.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -74.38 1.46 7.34 Favored 'Trans proline' 0 CA--C 1.545 1.041 0 C-N-CA 123.138 2.559 . . . . 0.0 114.4 -165.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.266 0.3 OUTLIER 105.13 -1.33 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.266 1 C-N-CA 132.283 4.233 . . . . 0.0 112.811 179.837 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.34 163.72 22.44 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -128.22 134.31 48.99 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.88 2.072 . . . . 0.0 108.478 168.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 69.2 mt -116.24 37.48 3.69 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.381 1.472 . . . . 0.0 110.307 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 46.3 p -66.12 16.58 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 129.262 3.025 . . . . 0.0 116.03 -176.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 68.47 128.53 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 128.977 2.911 . . . . 0.0 113.71 -174.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.83 25.78 69.46 Favored Glycine 0 CA--C 1.538 1.491 0 O-C-N 121.412 -0.805 . . . . 0.0 114.713 -175.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -52.61 131.43 34.37 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.639 1.576 . . . . 0.0 114.18 -171.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.16 -22.6 64.87 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.958 1.303 . . . . 0.0 113.564 172.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -86.1 -39.42 16.76 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.376 0.67 . . . . 0.0 111.461 176.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.96 -37.94 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 121.178 -0.951 . . . . 0.0 112.011 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -64.02 -38.8 92.4 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.519 1.054 . . . . 0.0 113.728 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.7 -47.26 41.71 Favored Glycine 0 N--CA 1.474 1.203 0 C-N-CA 123.984 0.802 . . . . 0.0 111.829 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . 0.516 ' HD1' HD13 ' C' ' 29' ' ' LEU . 47.2 t-80 -61.0 -41.61 96.86 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 122.048 -0.678 . . . . 0.0 112.3 173.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.79 -50.51 49.56 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 123.877 0.751 . . . . 0.0 112.79 170.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -56.21 -42.65 77.56 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.099 0.96 . . . . 0.0 113.575 171.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -53.04 60.44 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 118.952 0.797 . . . . 0.0 112.669 174.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 95.0 t -54.31 -43.74 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 119.179 0.9 . . . . 0.0 110.846 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.25 -50.48 73.86 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 174.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.25 -38.1 82.44 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.716 1.144 . . . . 0.0 112.442 176.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.23 -35.32 80.43 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 170.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.01 -42.66 89.43 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.538 -0.726 . . . . 0.0 111.434 170.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 50.9 m -58.09 -43.73 87.23 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.826 1.194 . . . . 0.0 111.876 171.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -55.66 -48.98 74.12 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.47 1.108 . . . . 0.0 110.591 171.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 69' ' ' ALA . . . . . 0.415 ' HB1' HG22 ' C' ' 132' ' ' VAL . . . -60.52 -39.26 87.18 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 90.0 t -65.84 -45.43 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 119.932 1.242 . . . . 0.0 111.325 173.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.48 67.38 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.064 1.346 . . . . 0.0 113.503 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -133.05 35.25 3.53 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 125.141 1.376 . . . . 0.0 111.341 -171.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.31 -13.29 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 115.918 1.822 . . . . 0.0 115.918 -165.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -120.44 8.47 10.77 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.137 1.375 . . . . 0.0 113.897 169.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -129.54 -2.08 4.89 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.057 2.143 . . . . 0.0 112.519 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 24.3 ptt? -68.98 -12.95 0.23 Allowed Pre-proline 0 CA--C 1.544 0.745 0 N-CA-C 118.207 2.669 . . . . 0.0 118.207 176.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -42.95 -26.69 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 124.199 3.266 . . . . 0.0 117.473 176.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -119.67 -12.43 9.27 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 169.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.43 -14.6 61.73 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.434 -1.416 . . . . 0.0 114.079 177.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 69.0 mt -107.86 7.32 28.06 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.882 1.273 . . . . 0.0 112.756 173.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 34.6 m -56.54 -39.13 72.87 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.982 1.265 . . . . 0.0 114.395 -175.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.29 -28.6 66.92 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.817 0.735 . . . . 0.0 112.897 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 9.0 mt -85.08 -42.77 14.5 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.375 1.07 . . . . 0.0 110.448 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 21.7 t -53.94 -46.42 71.56 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.746 0.418 . . . . 0.0 111.309 169.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -54.12 -51.99 62.47 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.458 1.103 . . . . 0.0 111.922 170.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . 0.42 HD21 ' CHA' ' C' ' 201' ' ' HEC . 61.9 tp -58.29 -24.65 60.21 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 177.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -96.25 -29.12 14.2 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.111 0.964 . . . . 0.0 112.846 -178.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -102.09 -36.42 8.57 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.07 1.348 . . . . 0.0 113.667 -174.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -103.4 -9.97 18.98 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.812 1.645 . . . . 0.0 112.716 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -132.46 155.49 48.45 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.434 2.294 . . . . 0.0 108.892 171.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 mt 58.41 -20.36 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 128.095 2.558 . . . . 0.0 117.668 173.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 4.4 mmt-85 52.16 44.52 29.59 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 128.747 2.819 . . . . 0.0 111.856 -173.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 70.8 t -57.78 106.96 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.511 1.524 . . . . 0.0 109.743 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.51 139.29 38.32 Favored Pre-proline 0 CA--C 1.546 0.804 0 CA-C-O 119.06 -0.495 . . . . 0.0 110.832 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.96 -31.77 5.75 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.602 3.535 . . . . 0.0 116.939 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.97 -41.86 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 120.23 1.377 . . . . 0.0 112.547 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -63.36 -31.7 72.92 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 121.134 -0.979 . . . . 0.0 112.187 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -58.73 -49.54 77.24 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 118.251 -0.88 . . . . 0.0 109.387 171.436 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -57.29 -43.72 83.42 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.937 0.875 . . . . 0.0 110.277 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 89.7 mt -59.21 -49.78 76.53 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.253 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -38.02 72.94 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.263 -0.898 . . . . 0.0 112.523 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 94.7 p -68.11 -42.21 80.59 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.964 1.257 . . . . 0.0 112.13 -175.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -61.18 -40.75 95.1 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.631 -0.668 . . . . 0.0 110.388 169.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 93.8 m -67.51 -20.85 65.49 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 173.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 35.0 mt -76.27 -50.56 14.07 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.073 1.306 . . . . 0.0 111.372 167.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 10.2 mt -48.64 -44.59 37.54 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.825 0.739 . . . . 0.0 111.143 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 4.3 t -49.53 -52.98 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.4 1.48 . . . . 0.0 114.19 167.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.01 -36.79 78.18 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.366 1.439 . . . . 0.0 112.947 -179.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.1 mt -62.04 -46.65 88.23 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.82 0.736 . . . . 0.0 109.237 173.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.99 -31.32 68.68 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 176.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.53 -9.76 55.26 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.321 1.601 . . . . 0.0 115.321 176.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -129.2 -32.11 2.04 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -174.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.72 149.92 40.0 Favored Pre-proline 0 CA--C 1.555 1.156 0 CA-C-N 119.064 0.847 . . . . 0.0 111.002 -176.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -45.35 -51.41 7.89 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 125.153 3.902 . . . . 0.0 117.214 -163.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.07 39.38 0.84 Allowed 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 125.144 1.377 . . . . 0.0 110.265 177.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -39.02 -38.24 0.43 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 127.244 2.218 . . . . 0.0 115.542 -168.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.09 8.53 0.06 Allowed 'General case' 0 CA--C 1.558 1.261 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 174.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.85 157.28 2.08 Favored Pre-proline 0 N--CA 1.486 1.359 0 CA-C-N 120.48 1.491 . . . . 0.0 112.125 -179.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -49.35 -56.96 2.65 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.172 1.915 . . . . 0.0 114.284 166.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.57 -33.75 76.64 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -176.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 62.3 t -89.72 -46.43 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.238 -0.914 . . . . 0.0 110.83 -174.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -67.3 -41.88 84.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 117.666 -1.159 . . . . 0.0 112.803 178.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.05 -56.78 17.59 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.873 1.215 . . . . 0.0 109.925 173.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 42.4 m -55.05 -41.6 71.64 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 124.453 1.101 . . . . 0.0 113.815 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 39.4 mt -73.8 -41.42 62.39 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 176.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -62.5 -49.77 74.05 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.878 1.217 . . . . 0.0 110.776 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -31.66 72.9 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 174.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -62.09 -55.7 26.31 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 117.964 -1.017 . . . . 0.0 111.645 169.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 32.7 mt -60.34 -31.61 70.47 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.884 1.22 . . . . 0.0 112.133 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.65 -37.48 87.73 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 168.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 31.0 t -68.89 -43.3 75.55 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.089 -1.632 . . . . 0.0 112.399 169.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 132' ' ' VAL . . . . . 0.415 HG22 ' HB1' ' C' ' 69' ' ' ALA . 60.3 t -51.48 -51.15 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 173.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 26.3 p -63.05 -52.02 64.44 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 116.822 -1.561 . . . . 0.0 112.77 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 22.2 m -48.41 -35.74 13.32 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 121.031 1.741 . . . . 0.0 112.189 177.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 66.7 t -77.31 -47.67 26.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 123.632 0.773 . . . . 0.0 112.125 173.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -8.45 5.54 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.535 1.534 . . . . 0.0 114.287 172.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 34.9 p -126.74 17.03 7.46 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 127.881 2.473 . . . . 0.0 111.122 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 36.7 t -42.56 151.13 0.12 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.881 2.072 . . . . 0.0 113.029 169.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -39.85 -54.88 2.08 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.556 1.942 . . . . 0.0 115.18 -155.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -159.57 -100.97 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.415 1.086 . . . . 0.0 109.976 159.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 . . . . . 0 C--O 1.256 1.428 0 C-N-CA 127.736 2.414 . . . . 0.0 113.65 179.681 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.326 3.1 p . . . . . 0 N--CA 1.514 2.768 0 CA-C-O 116.667 -1.635 . . . . 0.0 113.112 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 19.85 77.39 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 127.889 2.475 . . . . 0.0 115.348 -174.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.77 157.38 27.71 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.161 0.584 . . . . 0.0 110.543 -179.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.53 150.6 89.8 Favored Pre-proline 0 N--CA 1.481 1.113 0 CA-C-O 118.092 -0.956 . . . . 0.0 109.181 169.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -53.69 -39.41 83.47 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.45 2.1 . . . . 0.0 114.664 175.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.97 -46.15 79.12 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.41 0.684 . . . . 0.0 111.77 174.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.42 -43.83 80.26 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 118.423 -0.798 . . . . 0.0 111.597 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -52.73 -53.51 46.82 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.058 1.343 . . . . 0.0 110.817 168.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 28.8 t -54.59 -45.55 73.62 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 118.6 0.636 . . . . 0.0 111.12 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.35 -55.58 32.94 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 174.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 11' ' ' VAL . . . . . 0.484 HG21 ' CZ ' ' D' ' 130' ' ' TYR . 3.4 p -60.38 -56.02 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 119.55 1.068 . . . . 0.0 111.135 -179.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -67.18 -35.19 79.12 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.458 -0.776 . . . . 0.0 112.654 -172.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.98 86.84 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 120.07 1.304 . . . . 0.0 112.277 175.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -66.53 -35.55 80.52 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.451 -0.781 . . . . 0.0 111.127 171.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -31.41 72.58 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 168.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.25 -42.67 99.25 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.55 1.071 . . . . 0.0 113.645 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -82.66 -19.86 37.37 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 176.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.21 139.73 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.386 1.074 . . . . 0.0 113.246 -170.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.73 92.68 9.3 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 107.589 -1.264 . . . . 0.0 107.589 171.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 75.6 t -56.3 -31.82 33.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 123.83 0.852 . . . . 0.0 112.93 -172.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -72.38 -48.57 40.54 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.95 1.3 . . . . 0.0 113.698 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -82.86 -45.2 14.54 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.305 -0.872 . . . . 0.0 111.638 -175.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.85 -30.34 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 119.2 0.909 . . . . 0.0 111.27 172.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.21 -44.58 28.33 Favored Glycine 0 C--N 1.342 0.866 0 CA-C-N 119.275 0.943 . . . . 0.0 111.715 177.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.12 -45.65 94.97 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 117.827 0.813 . . . . 0.0 112.097 170.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -66.52 -33.27 75.31 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 118.024 -0.989 . . . . 0.0 112.996 173.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.61 -57.29 7.52 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 121.332 1.878 . . . . 0.0 111.616 174.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 tp -68.12 -33.36 74.35 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 118.972 -0.537 . . . . 0.0 111.238 -176.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.09 -55.19 32.22 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.001 164.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 30' ' ' ARG . . . . . 0.466 ' HA ' HG23 ' D' ' 33' ' ' VAL . 0.0 OUTLIER -46.85 -37.57 8.98 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 119.464 1.632 . . . . 0.0 110.824 177.672 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . 0.457 ' HA ' HG21 ' D' ' 109' ' ' VAL . 36.6 tp -47.89 -50.64 25.99 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.686 1.13 . . . . 0.0 111.497 175.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.75 -22.5 16.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 118.053 -0.975 . . . . 0.0 112.944 -173.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 33' ' ' VAL . . . . . 0.466 HG23 ' HA ' ' D' ' 30' ' ' ARG . 3.6 m -56.02 -29.42 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 119.718 1.145 . . . . 0.0 112.101 -178.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 34' ' ' VAL . . . . . 0.465 HG21 HH11 ' D' ' 30' ' ' ARG . 0.2 OUTLIER -66.15 -2.86 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.658 1.583 . . . . 0.0 114.325 177.738 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 51.93 39.09 0.58 Allowed Pre-proline 0 CA--C 1.561 1.383 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -167.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -79.42 174.06 12.39 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.845 2.364 . . . . 0.0 112.265 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 12.2 p90 -55.33 -35.17 64.88 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.878 1.271 . . . . 0.0 113.85 170.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.39 -22.11 11.47 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.769 1.228 . . . . 0.0 114.215 169.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -56.98 -26.38 59.89 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.751 1.159 . . . . 0.0 113.101 173.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -54.92 -27.84 46.3 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 120.872 1.669 . . . . 0.0 113.174 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -86.89 8.08 24.53 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -52.32 -25.89 10.77 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.57 -23.25 49.58 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.014 1.725 . . . . 0.0 113.684 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 75.9 p -60.6 -43.04 97.86 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.666 0.787 . . . . 0.0 112.158 170.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -74.81 -5.06 41.38 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.424 1.49 . . . . 0.0 113.866 -178.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.18 22.17 49.08 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 125.609 1.576 . . . . 0.0 115.358 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -158.88 -125.4 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.591 1.156 . . . . 0.0 110.678 -163.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 7.7 tt 61.69 -6.36 0.13 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 128.169 2.588 . . . . 0.0 115.586 -174.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 3.1 m -46.31 -28.82 1.42 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.8 2.04 . . . . 0.0 116.118 -173.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 7.2 p -141.38 161.0 55.07 Favored Pre-proline 0 N--CA 1.477 0.881 0 C-N-CA 125.69 1.596 . . . . 0.0 111.65 168.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -58.77 -42.09 56.71 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.6 2.867 . . . . 0.0 114.923 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.19 -35.39 80.94 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.523 -0.736 . . . . 0.0 112.052 175.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.32 -49.47 73.81 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 118.784 -0.627 . . . . 0.0 112.066 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -59.57 -34.51 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 119.914 1.234 . . . . 0.0 113.454 -177.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 32.2 ttm -82.25 -22.14 35.94 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.26 -19.43 23.49 Favored Glycine 0 CA--C 1.54 1.609 0 C-N-CA 124.55 1.071 . . . . 0.0 114.754 177.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -56.9 120.79 40.8 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 125.579 1.552 . . . . 0.0 113.304 -173.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -57.49 -31.37 91.24 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.827 2.352 . . . . 0.0 113.226 177.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 25.8 tttp -67.57 -37.99 83.45 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.615 1.098 . . . . 0.0 112.794 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 79.5 t -68.49 -37.81 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 CA-C-O 118.356 -0.831 . . . . 0.0 111.348 170.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -64.31 -49.64 70.95 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 120.156 1.344 . . . . 0.0 112.078 173.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.96 -48.9 74.65 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.356 1.062 . . . . 0.0 112.803 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.97 -36.11 82.42 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.772 -1.205 . . . . 0.0 111.027 172.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.2 -49.48 50.1 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 126.896 2.189 . . . . 0.0 113.581 168.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -58.14 -40.19 80.66 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.83 0.852 . . . . 0.0 112.014 172.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -66.12 -55.57 15.8 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.742 0.817 . . . . 0.0 112.475 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.85 -41.6 76.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.17 0.896 . . . . 0.0 112.199 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 5.6 tt -75.75 -40.32 55.61 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.534 -0.728 . . . . 0.0 112.928 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.82 -38.96 54.93 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.415 1.007 . . . . 0.0 112.477 173.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.98 -50.13 74.94 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 117.502 0.651 . . . . 0.0 112.317 169.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -55.34 -40.39 71.15 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 120.224 -1.548 . . . . 0.0 113.159 173.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 14.3 m -64.71 -44.32 90.6 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.21 1.004 . . . . 0.0 113.133 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -58.06 -32.03 67.63 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.535 0.734 . . . . 0.0 111.803 171.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.04 -62.51 5.99 Favored Glycine 0 C--N 1.339 0.71 0 C-N-CA 124.235 0.921 . . . . 0.0 111.385 168.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 mt -54.21 -30.31 49.42 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.401 1.1 . . . . 0.0 113.805 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.96 -15.8 58.68 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 173.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -150.24 42.69 0.85 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.944 1.297 . . . . 0.0 113.273 -170.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 93.0 mt -63.72 -15.06 57.53 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.245 -1.534 . . . . 0.0 114.756 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -48.43 -42.08 31.17 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.942 1.297 . . . . 0.0 113.052 173.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -154.17 114.88 3.99 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.131 1.372 . . . . 0.0 109.823 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 66.4 mt -87.48 -33.17 19.11 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.273 0.629 . . . . 0.0 112.213 174.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -65.18 -15.62 62.63 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 120.348 -1.47 . . . . 0.0 113.174 -175.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.81 -46.97 2.79 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.522 1.534 . . . . 0.0 113.737 176.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.5 p -72.17 -24.79 61.49 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 118.868 1.334 . . . . 0.0 113.657 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -105.28 6.52 32.89 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.89 0.876 . . . . 0.0 112.989 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.68 -40.59 79.76 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 120.749 1.613 . . . . 0.0 114.235 -176.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 15.8 p -65.4 -36.66 84.64 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.957 -1.089 . . . . 0.0 111.917 172.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 21.5 mt -75.05 -34.98 61.89 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 118.082 -0.961 . . . . 0.0 112.671 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 55.6 p -70.45 -36.05 73.71 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 120.454 1.479 . . . . 0.0 111.409 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.04 -53.37 59.16 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.82 0.848 . . . . 0.0 112.237 165.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 49.0 tp -53.02 -51.83 60.42 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.333 -0.854 . . . . 0.0 111.118 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -78.65 19.46 0.49 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.278 1.431 . . . . 0.0 113.935 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 52.8 t -136.43 -88.62 0.3 Allowed 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -49.53 -21.69 1.04 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.24 2.216 . . . . 0.0 116.297 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.58 -35.81 5.67 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.545 1.138 . . . . 0.0 113.214 169.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mt -140.09 52.57 1.67 Allowed 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 125.9 1.68 . . . . 0.0 112.549 -168.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -58.26 29.43 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.71 0 C-N-CA 127.324 2.25 . . . . 0.0 114.895 172.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 8.6 p -46.36 142.46 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 O-C-N 118.899 -2.376 . . . . 0.0 110.908 174.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -58.91 130.02 85.94 Favored Pre-proline 0 CA--C 1.55 0.954 0 O-C-N 120.776 -1.203 . . . . 0.0 112.067 -172.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -51.3 -27.97 25.19 Favored 'Trans proline' 0 C--N 1.356 0.95 0 C-N-CA 124.121 3.214 . . . . 0.0 116.788 -169.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.74 -29.92 41.83 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.995 -1.066 . . . . 0.0 113.054 171.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 102' ' ' ASN . . . . . 0.429 HD21 ' N ' ' D' ' 102' ' ' ASN . 0.8 OUTLIER -63.94 -40.03 95.5 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.109 -0.994 . . . . 0.0 111.308 175.686 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -62.26 -47.51 84.04 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.505 1.048 . . . . 0.0 111.169 173.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -57.03 -43.55 82.02 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.065 0.946 . . . . 0.0 112.249 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mp -59.59 -51.86 68.02 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.668 0.787 . . . . 0.0 111.695 172.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.9 -33.67 69.0 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.358 0.981 . . . . 0.0 111.804 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 107' ' ' GLY . . . . . 0.446 ' HA2' HG13 ' D' ' 134' ' ' VAL . . . -66.31 -48.21 65.69 Favored Glycine 0 CA--C 1.526 0.735 0 O-C-N 121.067 -1.021 . . . . 0.0 114.609 173.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.05 -33.94 76.51 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 122.759 1.266 . . . . 0.0 111.967 173.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 109' ' ' VAL . . . . . 0.457 HG21 ' HA ' ' D' ' 31' ' ' LEU . 3.0 t -62.33 -47.49 92.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 125.542 1.537 . . . . 0.0 112.447 175.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 21.3 tp -52.59 -56.89 12.19 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 124.063 0.945 . . . . 0.0 110.305 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 18.4 m -55.95 -44.52 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-N 118.412 0.551 . . . . 0.0 111.89 -174.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 50.4 t -60.42 -44.51 95.69 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 121.029 -1.044 . . . . 0.0 113.444 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.91 -34.49 63.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 120.515 1.507 . . . . 0.0 111.666 175.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mt -65.08 -39.75 93.66 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.208 1.367 . . . . 0.0 110.257 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.06 77.21 Favored 'General case' 0 CA--C 1.526 0.055 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 174.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -61.98 -61.16 2.68 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.531 0.605 . . . . 0.0 110.44 168.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -72.76 -20.78 61.12 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -166.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -129.86 39.58 3.68 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.063 1.745 . . . . 0.0 111.489 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.67 -20.47 7.83 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.181 1.372 . . . . 0.0 116.228 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -25.64 65.28 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 168.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -134.99 11.36 3.61 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.801 1.241 . . . . 0.0 114.064 -173.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.93 29.68 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 128.324 2.65 . . . . 0.0 117.241 177.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 123' ' ' THR . . . . . 0.547 ' HG1' ' H ' ' D' ' 126' ' ' VAL . 30.1 p -46.18 148.58 1.49 Allowed Pre-proline 0 N--CA 1.484 1.238 0 C-N-CA 125.303 1.441 . . . . 0.0 113.849 -165.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -45.33 -44.97 15.83 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 122.286 1.99 . . . . 0.0 114.522 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.17 -38.28 36.95 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.944 1.763 . . . . 0.0 114.554 172.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 126' ' ' VAL . . . . . 0.547 ' H ' ' HG1' ' D' ' 123' ' ' THR . 0.5 OUTLIER -62.39 -44.52 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 CA-C-N 121.388 1.904 . . . . 0.0 111.695 -177.207 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -66.52 -41.92 88.06 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.861 -0.524 . . . . 0.0 110.936 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.97 97.68 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.732 0.813 . . . . 0.0 113.183 172.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.71 76.45 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.194 0.997 . . . . 0.0 110.552 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 130' ' ' TYR . . . . . 0.484 ' CZ ' HG21 ' D' ' 11' ' ' VAL . 33.5 m-85 -51.3 -49.58 61.02 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.405 0.548 . . . . 0.0 112.089 167.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.02 -34.43 74.83 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 117.587 -1.197 . . . . 0.0 113.205 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -68.24 -41.77 80.69 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 121.766 2.076 . . . . 0.0 113.59 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 2.2 p -63.62 -44.95 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 120.29 1.405 . . . . 0.0 110.721 171.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 134' ' ' VAL . . . . . 0.446 HG13 ' HA2' ' D' ' 107' ' ' GLY . 68.9 t -69.08 -31.69 51.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -177.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.97 -46.49 84.37 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 120.231 -1.543 . . . . 0.0 111.029 172.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.5 -43.11 94.18 Favored Glycine 0 N--CA 1.471 0.971 0 O-C-N 122.125 -0.359 . . . . 0.0 112.258 169.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.02 -43.27 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.248 1.019 . . . . 0.0 113.203 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.32 96.6 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.497 -0.752 . . . . 0.0 110.38 176.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -66.65 -32.04 73.1 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.143 0.577 . . . . 0.0 112.28 173.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.32 86.29 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.472 -1.393 . . . . 0.0 111.879 171.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 6.9 mt -65.77 -41.8 91.61 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.101 -1.0 . . . . 0.0 111.934 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.84 -13.62 62.53 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 173.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -54.07 -42.61 69.47 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 120.148 1.34 . . . . 0.0 112.286 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -61.21 -15.16 31.4 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.776 1.63 . . . . 0.0 114.429 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -75.71 -20.16 58.57 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.717 1.207 . . . . 0.0 111.779 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--O 1.255 1.371 0 C-N-CA 127.976 2.51 . . . . 0.0 114.584 -177.131 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.421 ' CHA' HD21 ' A' ' 86' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 201' ' ' HEC . . . . . 0.42 ' CHA' HD21 ' C' ' 86' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.319 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.18 171.05 18.53 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 122.46 2.391 . . . . 0.0 109.842 -177.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 168.97 -27.41 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.622 0 N-CA-C 116.899 2.185 . . . . 0.0 116.899 -178.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -58.8 -161.04 0.02 OUTLIER 'Trans proline' 0 CA--C 1.548 1.186 0 C-N-CA 124.541 3.494 . . . . 0.0 115.075 172.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -45.9 -29.92 1.56 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.907 1.283 . . . . 0.0 114.167 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -47.58 -63.43 1.06 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 168.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -50.86 -45.11 59.77 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.009 1.323 . . . . 0.0 111.133 175.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.6 m -61.01 -49.58 76.85 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.622 0.769 . . . . 0.0 112.187 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.08 -38.25 90.14 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.137 0.975 . . . . 0.0 112.012 178.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.08 -47.99 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.721 1.208 . . . . 0.0 111.361 172.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -61.25 -44.57 97.03 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 119.304 0.956 . . . . 0.0 111.88 173.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.13 -50.12 74.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.328 0.651 . . . . 0.0 111.054 178.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.09 -57.33 13.32 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.748 0.819 . . . . 0.0 111.262 173.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -63.49 -23.99 67.63 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -175.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.75 -40.39 98.44 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.919 1.247 . . . . 0.0 113.363 170.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -70.41 -35.67 73.57 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 118.3 1.05 . . . . 0.0 111.419 170.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.425 HG13 ' CD2' ' A' ' 24' ' ' TYR . 98.0 t -64.93 -29.06 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.798 1.239 . . . . 0.0 113.256 176.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.46 123.23 1.05 Allowed Glycine 0 CA--C 1.541 1.668 0 C-N-CA 125.239 1.4 . . . . 0.0 113.929 176.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 81.29 -42.02 0.16 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 129.323 3.049 . . . . 0.0 114.26 -173.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -77.05 -11.79 59.85 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 174.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.509 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -42.57 -52.9 4.62 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.599 1.96 . . . . 0.0 113.749 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.0 -33.2 86.59 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 119.686 -0.508 . . . . 0.0 114.084 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.87 -45.44 89.42 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.348 1.059 . . . . 0.0 109.923 173.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.461 ' HA ' HG21 ' A' ' 108' ' ' THR . 14.6 m-30 -65.98 -37.42 85.91 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.75 -49.88 73.7 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 123.236 0.446 . . . . 0.0 112.268 168.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.15 -49.17 76.76 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.286 1.043 . . . . 0.0 112.511 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.48 -38.16 90.06 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 121.669 -0.644 . . . . 0.0 112.509 174.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.34 98.98 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.631 1.105 . . . . 0.0 112.195 177.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.2 mt -62.79 -49.69 73.99 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.272 1.029 . . . . 0.0 111.535 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -57.06 -46.72 82.23 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.669 0.668 . . . . 0.0 111.981 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.3 ttm-85 -61.36 -46.09 91.65 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.906 0.882 . . . . 0.0 111.494 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 47.3 ttp -58.46 -50.92 71.98 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.144 173.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -52.42 -57.16 10.71 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.469 0.708 . . . . 0.0 111.898 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' B' ' 125' ' ' PRO . 0.6 OUTLIER -69.53 -36.17 76.16 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.258 0.481 . . . . 0.0 111.398 -174.55 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.9 t -74.87 -30.71 61.41 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -175.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.532 ' CE2' HD22 ' A' ' 100' ' ' LEU . 98.4 m-85 -136.77 71.16 57.76 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 126.055 1.742 . . . . 0.0 109.302 -175.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -61.09 -13.18 26.39 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 123.076 2.517 . . . . 0.0 113.729 -173.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.21 -36.54 1.79 Allowed 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 163.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -36.26 73.72 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-N 121.51 1.959 . . . . 0.0 113.873 173.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -17.73 30.49 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 120.82 1.645 . . . . 0.0 114.327 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.29 -20.83 59.99 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 176.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -69.57 14.87 0.09 Allowed 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.17 0.895 . . . . 0.0 113.204 177.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.6 t80 63.58 59.66 1.89 Allowed Pre-proline 0 CA--C 1.544 0.719 0 C-N-CA 127.0 2.12 . . . . 0.0 112.075 172.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -62.24 123.67 12.91 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.678 2.919 . . . . 0.0 110.641 -175.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -66.99 3.92 0.98 Allowed 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 175.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -141.01 150.23 42.77 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.74 2.016 . . . . 0.0 111.312 -167.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.04 95.1 2.97 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 166.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' H ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -59.67 1.81 0.09 Allowed 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 172.14 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 m -59.13 155.02 14.72 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.457 2.303 . . . . 0.0 113.739 -178.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -50.47 141.11 12.7 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 169.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.34 1.71 29.74 Favored Glycine 0 CA--C 1.54 1.622 0 N-CA-C 116.26 1.264 . . . . 0.0 116.26 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.7 t -60.45 136.23 57.98 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.995 1.397 . . . . 0.0 113.555 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.15 -20.71 66.18 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.172 0.989 . . . . 0.0 113.661 171.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -81.78 -41.37 21.25 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.615 0.766 . . . . 0.0 111.249 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 91.1 t -62.77 -40.56 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 123.893 0.877 . . . . 0.0 112.019 -177.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -59.49 -42.64 92.59 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.219 0.918 . . . . 0.0 113.171 174.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.33 -44.67 73.55 Favored Glycine 0 N--CA 1.472 1.09 0 C-N-CA 123.952 0.786 . . . . 0.0 112.476 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -61.25 -47.73 84.71 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 122.248 -0.56 . . . . 0.0 111.002 170.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.6 -49.6 56.89 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.476 1.036 . . . . 0.0 113.782 176.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -53.43 -46.24 69.72 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.607 1.163 . . . . 0.0 112.102 171.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -44.81 80.07 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.81 -43.71 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 119.96 1.255 . . . . 0.0 110.359 172.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.509 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -64.87 -46.11 83.19 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 118.76 -0.638 . . . . 0.0 112.569 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.47 -37.82 79.18 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.721 1.146 . . . . 0.0 112.161 173.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.03 -40.95 95.54 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 121.722 -0.611 . . . . 0.0 112.117 170.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -41.21 98.4 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 118.567 -0.73 . . . . 0.0 111.711 171.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.3 m -58.41 -42.91 88.24 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 120.202 1.364 . . . . 0.0 111.283 171.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.426 HD22 HD21 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -66.66 -31.37 72.01 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.827 1.194 . . . . 0.0 111.957 175.011 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.405 ' HB1' HG23 ' A' ' 132' ' ' VAL . . . -69.42 -41.28 76.56 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-O 118.7 -0.667 . . . . 0.0 111.449 172.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.9 t -65.74 -48.79 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-N 120.096 1.316 . . . . 0.0 111.073 174.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.28 -30.84 65.04 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.388 1.475 . . . . 0.0 113.049 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -129.01 34.95 4.37 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 124.56 1.144 . . . . 0.0 111.315 -176.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . 0.257 8.6 p -57.52 -25.39 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 119.781 -1.824 . . . . 0.0 113.893 -172.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -94.68 -11.52 29.05 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 170.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -124.65 5.78 8.2 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.183 2.193 . . . . 0.0 112.93 -167.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -78.91 -3.72 0.07 OUTLIER Pre-proline 0 CA--C 1.548 0.892 0 N-CA-C 118.93 2.937 . . . . 0.0 118.93 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_exo -43.66 -34.07 5.22 Favored 'Trans proline' 0 C--N 1.364 1.366 0 CA-C-N 125.223 2.901 . . . . 0.0 117.058 -177.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.07 5.97 9.24 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.5 1.12 . . . . 0.0 114.003 173.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.45 -29.79 61.61 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.273 -1.517 . . . . 0.0 112.099 171.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.426 HD21 HD22 ' A' ' 68' ' ' ASN . 75.0 mt -80.89 1.57 30.25 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.498 0.719 . . . . 0.0 112.742 173.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.6 m -56.89 -31.12 64.54 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 120.469 1.486 . . . . 0.0 114.931 -177.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.51 -29.28 69.9 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 120.442 1.474 . . . . 0.0 112.759 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mt -82.48 -38.0 24.52 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.379 1.472 . . . . 0.0 110.793 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.8 m -66.65 -29.21 69.18 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 124.31 1.044 . . . . 0.0 112.516 167.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.89 -47.93 67.46 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.429 1.468 . . . . 0.0 111.131 169.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 tp -50.9 -52.43 41.97 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.408 0.683 . . . . 0.0 111.483 167.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -70.18 -48.85 55.45 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 118.092 -0.956 . . . . 0.0 112.183 -175.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.46 -16.06 50.24 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 121.013 1.733 . . . . 0.0 114.646 -175.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -124.31 14.81 8.99 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.874 1.269 . . . . 0.0 113.183 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -140.68 -53.45 0.49 Allowed 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 116.114 1.894 . . . . 0.0 116.114 175.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mp -130.87 -21.92 2.67 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 116.739 2.126 . . . . 0.0 116.739 -176.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 50.64 32.08 6.48 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.734 2.013 . . . . 0.0 114.668 171.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 t -55.18 135.39 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.123 1.369 . . . . 0.0 111.913 -173.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -51.89 133.7 38.38 Favored Pre-proline 0 CA--C 1.554 1.118 0 C-N-CA 122.958 0.503 . . . . 0.0 112.354 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -47.16 -22.78 2.47 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 124.92 3.746 . . . . 0.0 116.477 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.7 p -45.73 -47.6 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 119.984 1.265 . . . . 0.0 112.005 168.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -65.98 -23.75 66.65 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 120.044 1.293 . . . . 0.0 112.438 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -60.27 -52.87 63.45 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.172 1.351 . . . . 0.0 108.981 170.546 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -56.13 -34.44 66.09 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.912 0.885 . . . . 0.0 111.262 -175.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.532 HD22 ' CE2' ' A' ' 36' ' ' PHE . 66.0 mt -68.75 -53.32 22.57 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.845 0.858 . . . . 0.0 111.836 175.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.51 -39.81 94.47 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.522 1.055 . . . . 0.0 112.065 -177.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.8 p -65.19 -42.62 93.43 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.161 0.891 . . . . 0.0 111.392 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -57.97 -50.28 73.93 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.662 0.785 . . . . 0.0 111.53 169.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 91.6 m -59.02 -37.56 77.23 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 118.325 -0.845 . . . . 0.0 113.162 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.45 -55.58 29.64 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 117.913 -1.041 . . . . 0.0 111.758 172.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.0 mt -45.82 -44.76 14.44 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.191 0.905 . . . . 0.0 111.161 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.446 HG13 ' HB3' ' B' ' 115' ' ' ALA . 38.4 t -60.66 -48.46 88.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 118.389 -0.815 . . . . 0.0 113.03 173.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -62.38 -44.15 97.14 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 120.824 1.647 . . . . 0.0 112.306 178.286 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.87 -46.49 89.21 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 122.963 0.505 . . . . 0.0 110.322 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.82 -27.8 60.57 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 173.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.64 -5.48 40.73 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 174.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -131.82 -23.58 2.26 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -173.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.7 mp -100.31 157.99 32.79 Favored Pre-proline 0 CA--C 1.555 1.167 0 C-N-CA 124.242 1.017 . . . . 0.0 110.358 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -53.34 -35.57 75.39 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 123.924 3.083 . . . . 0.0 114.808 -171.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 117' ' ' PHE . . . -140.72 -56.82 0.52 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.108 1.363 . . . . 0.0 110.822 176.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 64.94 -13.79 0.11 Allowed 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.455 ' H ' ' C ' ' A' ' 115' ' ' ALA . 0.1 OUTLIER -126.5 18.02 7.53 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 126.865 2.066 . . . . 0.0 110.842 -173.575 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.2 p -54.36 163.4 1.3 Allowed Pre-proline 0 N--CA 1.486 1.366 0 C-N-CA 125.012 1.325 . . . . 0.0 110.295 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.539 ' HA ' HG22 ' B' ' 33' ' ' VAL . 36.9 Cg_exo -51.91 -41.4 63.57 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 CA-C-N 120.536 1.227 . . . . 0.0 113.913 176.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.74 -49.94 14.79 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 122.922 0.489 . . . . 0.0 111.122 174.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.4 t -70.84 -40.36 76.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 121.035 -1.04 . . . . 0.0 111.52 -168.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -45.36 93.36 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.439 1.018 . . . . 0.0 111.727 174.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.34 -55.5 30.83 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 122.895 0.478 . . . . 0.0 109.956 173.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 69.4 m -53.55 -51.1 64.0 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 126.474 1.91 . . . . 0.0 112.738 -176.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.7 mt -71.07 -44.39 65.84 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 117.969 -1.015 . . . . 0.0 112.557 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.0 -48.15 80.07 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.946 1.248 . . . . 0.0 111.669 -178.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -30.98 71.2 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 173.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -66.3 -52.97 41.91 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.795 1.18 . . . . 0.0 111.822 171.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.1 mt -59.09 -37.19 76.54 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.296 0.953 . . . . 0.0 110.23 175.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.47 -48.3 71.94 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.673 1.124 . . . . 0.0 112.112 167.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.1 m -60.01 -45.94 91.12 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 170.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.405 HG23 ' HB1' ' A' ' 69' ' ' ALA . 35.3 t -54.31 -51.44 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 119.478 1.036 . . . . 0.0 108.828 176.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 44.0 m -60.19 -50.48 73.49 Favored 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 125.976 1.71 . . . . 0.0 112.995 176.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 58.5 m -52.38 -41.69 63.34 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.653 1.569 . . . . 0.0 111.906 176.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 89.7 t -74.39 -38.9 47.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 122.621 0.368 . . . . 0.0 111.754 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.12 -23.57 64.0 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.433 -1.417 . . . . 0.0 113.836 174.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 59.2 p -95.63 -0.35 51.89 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.252 1.821 . . . . 0.0 111.822 171.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 58.4 m -58.49 143.73 44.69 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 122.558 1.171 . . . . 0.0 110.968 164.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -146.66 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 128.165 2.586 . . . . 0.0 111.9 175.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -52.59 -39.43 61.58 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -177.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 126.274 1.829 . . . . 0.0 112.941 -177.882 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.289 0.4 OUTLIER . . . . . 0 N--CA 1.517 2.901 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 t60 25.82 77.73 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 128.192 2.597 . . . . 0.0 115.439 -173.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.92 145.66 12.31 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.388 0.675 . . . . 0.0 112.087 -172.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.49 130.25 4.85 Favored Pre-proline 0 N--CA 1.481 1.1 0 CA-C-O 117.587 -1.197 . . . . 0.0 110.534 168.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -45.7 -43.25 18.89 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 124.26 3.307 . . . . 0.0 116.743 -169.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.54 -43.49 98.68 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.773 0.715 . . . . 0.0 112.28 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -70.03 -43.05 72.09 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.733 174.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -46.89 66.72 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.348 1.431 . . . . 0.0 110.657 170.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.84 -46.95 86.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 119.162 0.892 . . . . 0.0 111.152 175.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.96 -56.09 23.53 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.997 0.919 . . . . 0.0 113.225 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.88 -49.21 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 CA-C-N 119.088 0.858 . . . . 0.0 111.612 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.3 m -72.8 -38.92 67.06 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.208 0.913 . . . . 0.0 111.483 -168.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.26 -52.74 64.02 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-O 118.78 -0.628 . . . . 0.0 110.063 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.59 -37.39 87.16 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.749 -0.643 . . . . 0.0 111.889 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . 0.536 ' CZ2' ' HB3' ' B' ' 72' ' ' SER . 1.1 t90 -54.29 -47.68 72.12 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.138 0.881 . . . . 0.0 111.979 171.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.75 -8.44 7.74 Favored Glycine 0 CA--C 1.54 1.629 0 C-N-CA 125.125 1.345 . . . . 0.0 115.816 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.04 -8.51 5.97 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.978 2.111 . . . . 0.0 111.593 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.61 135.81 25.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.146 1.378 . . . . 0.0 110.092 173.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -85.2 84.33 7.72 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 45.9 t -52.49 -36.57 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -165.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -72.29 -36.32 68.93 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -91.1 -49.82 6.19 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.744 -0.597 . . . . 0.0 110.978 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -28.62 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 118.999 0.818 . . . . 0.0 112.277 169.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.68 -46.54 7.83 Favored Glycine 0 C--N 1.34 0.79 0 CA-C-N 119.44 1.018 . . . . 0.0 111.987 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.31 -39.99 93.39 Favored Glycine 0 N--CA 1.469 0.86 0 CA-C-N 118.104 0.952 . . . . 0.0 111.82 168.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.22 -52.08 60.53 Favored 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 124.613 1.165 . . . . 0.0 111.859 172.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.87 -49.76 74.95 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.913 1.688 . . . . 0.0 112.336 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.9 tp -69.79 -45.67 67.44 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 119.064 -0.493 . . . . 0.0 111.501 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.14 -45.48 95.94 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 119.482 1.037 . . . . 0.0 112.288 176.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.677 ' HA ' HG23 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -59.9 -28.34 67.49 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 117.871 -1.062 . . . . 0.0 111.567 175.675 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -53.8 32.97 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.493 1.497 . . . . 0.0 110.684 175.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.2 -31.0 68.25 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.993 0.517 . . . . 0.0 112.041 -179.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.677 HG23 ' HA ' ' B' ' 30' ' ' ARG . 1.0 OUTLIER -79.89 -10.32 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 174.833 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 98.5 t -100.48 -44.04 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-N 120.598 1.544 . . . . 0.0 110.82 176.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . 0.404 ' CZ ' HD23 ' B' ' 105' ' ' LEU . 83.6 m-85 -125.09 69.54 59.28 Favored Pre-proline 0 CA--C 1.533 0.294 0 C-N-CA 124.611 1.164 . . . . 0.0 110.574 -178.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_exo -44.12 -32.49 4.88 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.887 3.058 . . . . 0.0 115.907 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -51.05 -41.12 59.67 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.39 1.076 . . . . 0.0 113.049 174.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 75.1 p -59.91 -25.94 65.52 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.682 1.193 . . . . 0.0 112.62 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.32 -22.13 52.0 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-O 118.22 -0.895 . . . . 0.0 112.426 174.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -55.37 -33.32 63.32 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 121.245 1.838 . . . . 0.0 112.631 176.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -84.37 13.01 5.81 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 174.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.474 ' CG ' ' N ' ' B' ' 43' ' ' GLU . 0.8 OUTLIER -62.47 -78.27 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.908 1.231 . . . . 0.0 111.259 172.846 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.474 ' N ' ' CG ' ' B' ' 42' ' ' PHE . 40.5 mt-10 41.23 5.48 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.327 0 N-CA-C 117.906 2.558 . . . . 0.0 117.906 -165.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 92.2 p -142.11 -33.44 0.48 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.352 1.861 . . . . 0.0 114.144 -171.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -50.91 -30.93 16.01 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.653 1.981 . . . . 0.0 112.99 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.56 -50.02 3.74 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.526 1.536 . . . . 0.0 114.379 165.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -92.3 -118.41 0.08 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.68 1.192 . . . . 0.0 108.172 171.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.95 -19.44 0.05 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 127.573 2.349 . . . . 0.0 116.323 -177.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 6.2 m -50.33 -25.06 3.39 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 127.048 2.139 . . . . 0.0 114.964 -176.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -132.35 157.55 77.99 Favored Pre-proline 0 N--CA 1.469 0.501 0 C-N-CA 125.848 1.659 . . . . 0.0 111.625 168.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -53.25 -50.84 12.57 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.36 3.373 . . . . 0.0 114.955 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -62.62 -35.59 80.06 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.064 0.945 . . . . 0.0 112.398 176.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.79 -38.25 88.51 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 118.6 -0.714 . . . . 0.0 112.639 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.98 -38.17 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 CA-C-N 120.87 1.668 . . . . 0.0 112.361 177.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.66 -38.2 48.25 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.44 -15.92 78.99 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 123.756 0.693 . . . . 0.0 114.358 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -64.81 122.5 79.47 Favored Pre-proline 0 CA--C 1.547 0.848 0 CA-C-N 118.402 1.101 . . . . 0.0 112.733 -177.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -58.42 -35.49 98.62 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.167 2.578 . . . . 0.0 113.064 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -22.65 60.25 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 177.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 73.4 t -77.91 -35.94 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 CA-C-N 120.214 1.37 . . . . 0.0 110.986 169.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -60.97 -48.36 82.16 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.501 1.046 . . . . 0.0 111.606 167.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.3 -48.11 76.91 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -64.62 -36.24 83.62 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 120.533 -1.354 . . . . 0.0 111.262 171.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.95 -47.96 64.22 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 125.913 1.72 . . . . 0.0 113.117 172.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -59.97 -32.52 70.9 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 169.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -76.83 -47.86 20.18 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.295 1.038 . . . . 0.0 113.36 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.82 -42.88 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-N 119.814 1.188 . . . . 0.0 110.773 170.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -77.71 -34.27 52.83 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.778 -1.202 . . . . 0.0 112.772 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.06 -33.33 50.99 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.546 1.546 . . . . 0.0 113.223 167.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.42 -43.11 74.05 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.603 -0.94 . . . . 0.0 112.358 169.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -59.06 -40.99 86.86 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 120.291 1.405 . . . . 0.0 112.17 173.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' SER . . . . . 0.536 ' HB3' ' CZ2' ' B' ' 15' ' ' TRP . 0.3 OUTLIER -66.86 -40.58 87.91 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 120.989 1.722 . . . . 0.0 114.087 171.035 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -56.87 -27.4 60.37 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.79 1.177 . . . . 0.0 111.947 169.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.14 -69.13 1.38 Allowed Glycine 0 C--N 1.339 0.714 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 164.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.32 -30.61 12.42 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -178.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.6 -14.33 58.89 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.986 1.714 . . . . 0.0 114.935 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -149.54 36.01 0.72 Allowed 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -167.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 69.4 mt -64.3 -2.45 2.18 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -79.22 -7.03 57.93 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.892 1.677 . . . . 0.0 114.217 174.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -133.55 -47.87 0.82 Allowed 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -174.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 50.22 14.93 0.16 Allowed 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 126.678 1.991 . . . . 0.0 116.36 -175.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -139.72 -60.92 0.54 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.179 -1.575 . . . . 0.0 111.281 -177.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.47 -38.27 90.49 Favored Glycine 0 N--CA 1.478 1.46 0 C-N-CA 124.098 0.856 . . . . 0.0 114.865 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.5 t -69.66 -24.97 63.69 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.418 1.109 . . . . 0.0 113.122 175.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -109.67 1.52 19.59 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 117.504 -1.236 . . . . 0.0 114.187 -174.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.11 -40.06 57.59 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 121.194 1.815 . . . . 0.0 114.265 -171.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.4 p -64.17 -44.08 93.17 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.646 1.179 . . . . 0.0 113.117 172.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 12.4 mt -66.69 -43.2 85.06 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 118.425 -0.798 . . . . 0.0 111.397 173.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 5.2 t -59.62 -40.42 87.5 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.67 1.188 . . . . 0.0 111.77 176.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.83 -54.83 40.35 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.644 0.778 . . . . 0.0 111.678 170.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 28.3 tp -52.27 -48.33 65.34 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.214 -0.929 . . . . 0.0 111.299 175.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -81.68 11.69 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 125.596 1.558 . . . . 0.0 114.292 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 40.5 t -134.18 -56.67 0.86 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.589 1.156 . . . . 0.0 111.112 175.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -74.14 -43.83 55.97 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.004 -1.06 . . . . 0.0 112.221 -175.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -84.94 -37.05 20.99 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.727 0.811 . . . . 0.0 111.723 173.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 8.6 mt -136.88 54.47 1.87 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 124.836 1.254 . . . . 0.0 113.187 -167.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.405 ' HB3' ' HB ' ' C' ' 41' ' ' THR . 1.6 t-160 -59.05 19.99 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 116.353 1.983 . . . . 0.0 116.353 177.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -41.55 136.59 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 126.197 1.799 . . . . 0.0 112.121 -178.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.57 128.86 43.91 Favored Pre-proline 0 CA--C 1.557 1.238 0 CA-C-O 118.396 -0.811 . . . . 0.0 111.826 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -44.88 -29.8 3.94 Favored 'Trans proline' 0 C--N 1.357 1.005 1 C-N-CA 125.705 4.27 . . . . 0.0 117.313 -169.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -45.87 -40.57 10.12 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.039 1.736 . . . . 0.0 112.735 171.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.68 -32.56 73.66 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.52 -1.362 . . . . 0.0 113.052 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -68.85 -47.87 64.88 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.595 1.088 . . . . 0.0 110.225 174.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -44.16 73.97 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.521 0.728 . . . . 0.0 110.683 174.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.404 HD23 ' CZ ' ' B' ' 35' ' ' TYR . 58.6 mt -59.41 -48.11 82.9 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.836 1.255 . . . . 0.0 112.941 173.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -46.67 82.11 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.9 1.227 . . . . 0.0 111.105 175.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . 0.403 ' HA3' HG12 ' B' ' 134' ' ' VAL . . . -55.47 -49.63 63.85 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 123.693 0.663 . . . . 0.0 113.793 173.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -56.89 -36.8 70.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.91 1.684 . . . . 0.0 111.945 176.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.34 -48.69 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 O-C-N 121.285 -0.884 . . . . 0.0 111.971 173.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 60.3 tp -53.51 -50.19 65.94 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.362 0.983 . . . . 0.0 111.229 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 22.9 m -61.78 -35.75 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.14 -38.22 82.46 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.175 0.898 . . . . 0.0 113.011 169.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 m -74.58 -36.55 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.957 1.253 . . . . 0.0 112.902 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.57 -38.0 89.45 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.847 -0.533 . . . . 0.0 110.41 172.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . 0.446 ' HB3' HG13 ' A' ' 107' ' ' VAL . . . -61.42 -35.41 77.48 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 171.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -60.68 -59.44 5.39 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.659 0.663 . . . . 0.0 110.823 168.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -76.24 -23.89 54.54 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -166.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -130.74 23.65 5.02 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.917 1.287 . . . . 0.0 113.317 -172.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -38.69 -37.0 0.51 Allowed Glycine 0 N--CA 1.48 1.616 0 N-CA-C 117.712 1.845 . . . . 0.0 117.712 -173.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -63.27 -46.59 86.11 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.247 1.419 . . . . 0.0 112.872 175.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -85.54 -23.93 27.47 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.057 1.743 . . . . 0.0 111.457 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -73.75 45.73 0.2 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.327 2.251 . . . . 0.0 112.643 169.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 3.8 t -52.61 150.57 9.1 Favored Pre-proline 0 N--CA 1.475 0.782 0 C-N-CA 124.549 1.14 . . . . 0.0 110.889 167.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . 0.275 13.4 Cg_exo -32.62 -49.65 0.36 Allowed 'Trans proline' 0 CA--C 1.55 1.285 0 C-N-CA 124.7 3.6 . . . . 0.0 117.953 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . 0.467 ' HA ' HD13 ' A' ' 34' ' ' LEU . 23.2 Cg_exo -65.82 -24.47 54.1 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.741 2.294 . . . . 0.0 116.469 -179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 1.6 t -59.75 -42.02 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 119.493 1.042 . . . . 0.0 111.685 178.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -62.96 -44.34 96.31 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.584 175.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.91 92.14 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.421 1.01 . . . . 0.0 111.586 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -56.44 -55.54 32.34 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.368 0.667 . . . . 0.0 112.44 173.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -57.82 -47.49 82.47 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 121.532 -0.73 . . . . 0.0 111.452 175.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -53.97 -34.94 61.16 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 117.355 -1.307 . . . . 0.0 113.028 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -75.51 -45.88 35.6 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 120.134 1.334 . . . . 0.0 113.378 173.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 1.3 p -62.21 -39.43 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 CA-C-N 120.835 1.652 . . . . 0.0 111.391 176.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . 0.403 HG12 ' HA3' ' B' ' 107' ' ' GLY . 56.0 t -64.55 -39.53 85.92 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 C-N-CA 126.536 1.934 . . . . 0.0 111.351 174.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.48 96.22 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.843 1.201 . . . . 0.0 111.734 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.74 -48.67 76.0 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 174.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 2.0 t -62.43 -42.18 94.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 173.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.46 -48.73 80.48 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 120.258 1.39 . . . . 0.0 111.236 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -64.4 -33.0 74.86 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 172.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.81 66.71 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 119.523 1.056 . . . . 0.0 111.668 172.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.33 -24.59 63.93 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.391 -0.818 . . . . 0.0 111.365 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . 0.482 ' HA ' ' CE1' ' B' ' 145' ' ' TYR . . . -86.29 -1.07 57.17 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 169.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -60.0 -47.35 86.2 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 119.765 -1.834 . . . . 0.0 112.444 -175.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -57.91 -5.38 0.41 Allowed 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 145' ' ' TYR . . . . . 0.482 ' CE1' ' HA ' ' B' ' 142' ' ' ALA . 1.4 m-85 -71.79 -7.29 47.36 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.833 1.253 . . . . 0.0 111.877 178.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 C--O 1.255 1.376 0 C-N-CA 125.78 1.632 . . . . 0.0 114.528 169.606 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.369 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.02 170.95 18.65 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 122.572 2.442 . . . . 0.0 109.914 -177.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 168.93 -27.3 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.622 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -58.72 -161.07 0.02 OUTLIER 'Trans proline' 0 CA--C 1.545 1.072 0 C-N-CA 124.339 3.36 . . . . 0.0 115.189 172.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -45.86 -29.93 1.53 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.958 1.303 . . . . 0.0 114.285 177.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -47.45 -63.4 1.06 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 168.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -50.97 -45.07 60.76 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.039 1.336 . . . . 0.0 111.12 175.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 96.9 m -61.01 -49.58 76.83 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.606 0.762 . . . . 0.0 112.271 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.1 -38.24 90.09 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.121 0.969 . . . . 0.0 112.023 178.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 48.6 t -62.08 -47.91 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.744 1.218 . . . . 0.0 111.395 172.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -61.25 -44.66 96.89 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.317 0.962 . . . . 0.0 111.96 173.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.95 -50.24 74.03 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.389 0.676 . . . . 0.0 111.181 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.77 -57.51 12.44 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.76 0.824 . . . . 0.0 111.358 173.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -63.55 -23.97 67.61 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -175.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.81 -40.18 98.16 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.949 1.262 . . . . 0.0 113.358 170.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -70.66 -35.6 72.94 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.239 1.019 . . . . 0.0 111.304 170.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.428 HG13 ' CD2' ' C' ' 24' ' ' TYR . 98.6 t -64.9 -29.15 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.788 1.235 . . . . 0.0 113.248 176.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.37 123.28 1.02 Allowed Glycine 0 CA--C 1.542 1.74 0 C-N-CA 125.178 1.37 . . . . 0.0 113.817 176.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 81.16 -41.98 0.17 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 129.312 3.045 . . . . 0.0 114.28 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -77.13 -11.74 59.85 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . 0.536 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -42.38 -52.94 4.42 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.615 1.966 . . . . 0.0 113.767 -178.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.04 -33.28 86.75 Favored Glycine 0 CA--C 1.527 0.79 0 O-C-N 121.829 -0.544 . . . . 0.0 114.219 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.68 -45.6 89.37 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.385 1.074 . . . . 0.0 109.927 173.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . 0.454 ' HA ' HG21 ' C' ' 108' ' ' THR . 14.4 m-30 -65.91 -37.37 85.91 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.88 -49.71 75.55 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 123.258 0.456 . . . . 0.0 112.367 168.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.27 -49.12 77.06 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.233 1.017 . . . . 0.0 112.479 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -38.26 90.45 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 121.743 -0.598 . . . . 0.0 112.386 174.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.42 98.87 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.646 1.112 . . . . 0.0 112.254 177.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 65.4 mt -62.82 -49.43 74.93 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.128 0.971 . . . . 0.0 111.62 174.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -57.22 -46.65 82.76 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.598 0.636 . . . . 0.0 112.069 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 ttm-85 -61.19 -46.21 91.4 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.979 0.912 . . . . 0.0 111.568 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 47.2 ttp -58.4 -51.02 71.6 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 118.896 -0.573 . . . . 0.0 111.05 173.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -52.31 -57.25 10.34 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.544 0.738 . . . . 0.0 111.882 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' D' ' 125' ' ' PRO . 0.6 OUTLIER -69.53 -36.03 76.02 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.265 0.484 . . . . 0.0 111.572 -174.582 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 10.1 t -75.01 -30.63 61.18 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.432 0.693 . . . . 0.0 112.844 -175.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' PHE . . . . . 0.531 ' CE2' HD23 ' C' ' 100' ' ' LEU . 98.5 m-85 -136.77 71.0 58.05 Favored Pre-proline 0 CA--C 1.536 0.428 0 C-N-CA 126.109 1.764 . . . . 0.0 109.338 -175.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -60.91 -13.28 26.18 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.114 2.542 . . . . 0.0 113.65 -173.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.2 -36.13 1.64 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 163.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -36.57 74.78 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 121.573 1.988 . . . . 0.0 113.804 173.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -17.6 29.17 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 120.778 1.626 . . . . 0.0 114.457 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' THR . . . . . 0.405 ' HB ' ' HB3' ' B' ' 97' ' ' HIS . 0.9 OUTLIER -74.25 -20.78 60.04 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 176.755 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -69.59 14.83 0.09 Allowed 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 119.103 0.865 . . . . 0.0 113.1 178.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 9.7 t80 63.56 59.73 1.89 Allowed Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 126.985 2.114 . . . . 0.0 112.07 172.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -62.3 123.64 12.85 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.68 2.92 . . . . 0.0 110.618 -175.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -66.93 3.78 1.0 Allowed 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 175.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -140.91 150.28 42.97 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.696 1.998 . . . . 0.0 111.301 -167.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.14 95.3 3.07 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 166.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.412 HD13 ' H ' ' C' ' 48' ' ' LEU . 0.0 OUTLIER -59.72 1.87 0.09 Allowed 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 115.562 1.69 . . . . 0.0 115.562 172.184 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 5.4 m -59.32 155.17 15.08 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 127.445 2.298 . . . . 0.0 113.71 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -50.67 141.28 13.03 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 169.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.31 1.74 29.65 Favored Glycine 0 CA--C 1.541 1.679 0 N-CA-C 116.223 1.249 . . . . 0.0 116.223 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 11.5 t -60.25 136.13 57.94 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.986 1.393 . . . . 0.0 113.528 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.23 -20.53 66.1 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 171.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -82.02 -41.52 20.56 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.739 0.816 . . . . 0.0 111.313 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 91.5 t -62.73 -40.39 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.765 0.826 . . . . 0.0 112.048 -177.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -59.25 -42.8 91.98 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.305 0.957 . . . . 0.0 113.178 174.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.49 -44.51 72.57 Favored Glycine 0 N--CA 1.472 1.061 0 C-N-CA 123.843 0.735 . . . . 0.0 112.486 -178.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -61.22 -47.89 84.01 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 122.204 -0.586 . . . . 0.0 110.878 170.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.43 -49.59 56.29 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 124.385 0.993 . . . . 0.0 113.913 176.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -53.35 -46.39 69.52 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.548 1.139 . . . . 0.0 112.077 171.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -44.82 80.47 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 60.8 t -57.8 -43.63 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 120.057 1.299 . . . . 0.0 110.377 171.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . 0.536 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -64.88 -46.11 83.16 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 118.634 -0.698 . . . . 0.0 112.538 178.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.39 -37.65 78.52 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.842 1.201 . . . . 0.0 112.323 173.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.3 -40.84 95.66 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.841 -0.537 . . . . 0.0 112.079 170.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -41.22 98.08 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 118.546 -0.74 . . . . 0.0 111.641 171.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 13.9 m -58.33 -42.92 87.88 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 120.298 1.408 . . . . 0.0 111.39 171.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -31.26 71.83 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.892 1.224 . . . . 0.0 111.995 174.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 69' ' ' ALA . . . . . 0.403 ' HB1' HG22 ' C' ' 132' ' ' VAL . . . -69.43 -41.82 75.81 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.336 172.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 81.9 t -65.23 -48.66 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 120.059 1.299 . . . . 0.0 111.119 174.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.46 -30.62 65.19 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.296 1.438 . . . . 0.0 113.071 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -129.37 35.02 4.29 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 124.675 1.19 . . . . 0.0 111.252 -176.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . 0.259 8.5 p -57.61 -25.48 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 O-C-N 119.951 -1.718 . . . . 0.0 113.779 -171.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -94.53 -11.78 28.89 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 170.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -124.52 5.96 8.28 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.118 2.167 . . . . 0.0 112.834 -167.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -78.86 -3.78 0.07 OUTLIER Pre-proline 0 CA--C 1.55 0.948 0 N-CA-C 118.963 2.949 . . . . 0.0 118.963 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -43.64 -34.12 5.21 Favored 'Trans proline' 0 C--N 1.362 1.286 0 CA-C-N 125.148 2.874 . . . . 0.0 117.06 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.08 6.0 9.23 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.575 1.15 . . . . 0.0 113.952 173.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.58 -29.91 61.51 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.334 -1.479 . . . . 0.0 112.156 171.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 75.1 mt -80.88 1.65 29.92 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.458 0.703 . . . . 0.0 112.836 173.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 66.9 m -57.04 -31.08 64.79 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.63 -28.98 69.5 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 120.452 1.478 . . . . 0.0 112.854 172.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mt -82.65 -37.95 24.17 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.406 1.483 . . . . 0.0 110.845 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 18.9 m -66.67 -29.24 69.2 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 124.408 1.083 . . . . 0.0 112.466 167.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -68.04 -47.88 67.17 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.449 1.477 . . . . 0.0 111.038 169.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 7.2 tp -50.85 -52.49 41.04 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.439 0.696 . . . . 0.0 111.41 167.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -69.94 -50.72 39.28 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 118.185 -0.912 . . . . 0.0 112.132 -176.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.42 -16.42 54.48 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 120.955 1.707 . . . . 0.0 114.738 -175.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -124.08 14.86 9.15 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.903 1.281 . . . . 0.0 113.263 -175.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -140.78 -53.18 0.48 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 116.175 1.917 . . . . 0.0 116.175 175.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mp -131.03 -21.86 2.63 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 116.656 2.095 . . . . 0.0 116.656 -176.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 50.76 31.68 6.23 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.74 2.016 . . . . 0.0 114.704 171.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 t -54.97 135.45 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.225 1.41 . . . . 0.0 111.994 -173.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -51.87 133.59 38.2 Favored Pre-proline 0 CA--C 1.554 1.113 0 C-N-CA 122.995 0.518 . . . . 0.0 112.387 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -47.08 -22.59 2.25 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 124.891 3.728 . . . . 0.0 116.621 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 13.9 p -46.11 -47.45 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 119.882 1.219 . . . . 0.0 111.892 169.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -65.96 -23.71 66.65 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 120.046 1.294 . . . . 0.0 112.472 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -60.27 -52.94 63.14 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.131 1.332 . . . . 0.0 109.006 170.527 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -56.16 -34.38 66.11 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.797 0.839 . . . . 0.0 111.275 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 100' ' ' LEU . . . . . 0.531 HD23 ' CE2' ' C' ' 36' ' ' PHE . 66.7 mt -68.78 -53.25 22.84 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.723 0.809 . . . . 0.0 111.82 175.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -39.98 94.84 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.592 1.087 . . . . 0.0 112.126 -177.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 78.1 p -64.76 -42.86 94.82 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 119.002 0.819 . . . . 0.0 111.379 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -58.19 -50.07 74.83 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.524 0.73 . . . . 0.0 111.442 169.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 91.3 m -59.17 -37.5 77.51 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.226 -0.893 . . . . 0.0 113.137 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 46.0 mt -61.42 -55.46 31.11 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 117.988 -1.006 . . . . 0.0 111.805 172.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 15.2 mt -45.89 -44.73 14.78 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.149 0.886 . . . . 0.0 111.177 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . 0.438 HG12 ' HB3' ' D' ' 115' ' ' ALA . 38.4 t -60.7 -48.42 88.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 118.339 -0.839 . . . . 0.0 113.144 173.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 108' ' ' THR . . . . . 0.454 HG21 ' HA ' ' C' ' 24' ' ' TYR . 0.2 OUTLIER -62.4 -44.03 97.41 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.86 1.664 . . . . 0.0 112.453 178.156 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.85 -46.53 89.04 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.063 0.545 . . . . 0.0 110.382 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.74 -27.78 59.92 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 173.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.71 -5.39 40.3 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 174.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -131.84 -23.72 2.24 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.659 1.725 . . . . 0.0 115.659 -173.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.8 mp -100.35 158.05 32.68 Favored Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 124.249 1.02 . . . . 0.0 110.342 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -53.47 -35.48 76.24 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 123.837 3.025 . . . . 0.0 114.802 -171.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . 0.46 ' C ' ' H ' ' C' ' 117' ' ' PHE . . . -140.87 -56.78 0.51 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.023 1.329 . . . . 0.0 110.718 176.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 65.08 -13.9 0.11 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -177.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 117' ' ' PHE . . . . . 0.46 ' H ' ' C ' ' C' ' 115' ' ' ALA . 0.1 OUTLIER -126.29 17.88 7.67 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 126.904 2.081 . . . . 0.0 110.762 -173.55 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 1.1 p -54.34 163.37 1.31 Allowed Pre-proline 0 N--CA 1.488 1.445 0 C-N-CA 124.889 1.276 . . . . 0.0 110.37 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 119' ' ' PRO . . . . . 0.548 ' HA ' HG22 ' D' ' 33' ' ' VAL . 37.9 Cg_exo -51.9 -41.37 63.68 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 CA-C-N 120.465 1.202 . . . . 0.0 113.958 176.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.67 -49.93 14.94 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 122.84 0.456 . . . . 0.0 111.226 174.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 41.1 t -70.74 -40.51 76.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.096 -1.003 . . . . 0.0 111.493 -168.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.37 -45.32 93.68 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.464 1.029 . . . . 0.0 111.84 174.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.43 -55.37 32.51 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 122.865 0.466 . . . . 0.0 109.965 173.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 69.6 m -53.51 -51.21 63.57 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 126.436 1.894 . . . . 0.0 112.763 -176.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 9.7 mt -70.86 -44.61 66.02 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 117.979 -1.01 . . . . 0.0 112.553 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -62.81 -48.27 79.83 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.927 1.239 . . . . 0.0 111.667 -177.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -30.88 71.09 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 173.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -66.41 -53.08 39.91 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.789 1.177 . . . . 0.0 111.729 171.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 5.1 mt -59.08 -36.97 76.01 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.355 0.979 . . . . 0.0 110.324 175.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.59 -48.25 72.36 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.634 1.106 . . . . 0.0 112.128 167.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 20.9 m -60.05 -46.05 90.82 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 170.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 132' ' ' VAL . . . . . 0.403 HG22 ' HB1' ' C' ' 69' ' ' ALA . 34.2 t -54.17 -51.49 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 119.356 0.98 . . . . 0.0 108.908 176.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 45.7 m -60.3 -50.16 74.75 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 125.918 1.687 . . . . 0.0 112.961 176.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 55.7 m -52.72 -41.45 63.98 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.719 1.599 . . . . 0.0 111.826 176.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 91.1 t -74.64 -38.92 46.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 122.713 0.405 . . . . 0.0 111.554 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.01 -23.77 64.13 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.475 -1.39 . . . . 0.0 113.863 174.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 60.8 p -95.39 -0.5 52.48 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.208 1.803 . . . . 0.0 111.789 171.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 58.4 m -58.43 143.83 44.07 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 122.464 1.126 . . . . 0.0 111.005 164.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.53 -146.72 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 128.242 2.617 . . . . 0.0 111.905 175.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -39.46 61.83 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -177.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 . . . . . 0 C--O 1.252 1.195 0 C-N-CA 126.357 1.863 . . . . 0.0 112.892 -177.765 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.286 0.4 OUTLIER . . . . . 0 N--CA 1.518 2.927 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 t60 25.71 77.7 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 128.265 2.626 . . . . 0.0 115.456 -173.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.87 145.59 12.3 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.487 0.715 . . . . 0.0 112.028 -172.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.28 130.29 4.62 Favored Pre-proline 0 N--CA 1.482 1.14 0 CA-C-O 117.609 -1.186 . . . . 0.0 110.558 168.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -45.73 -43.38 18.89 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 124.346 3.364 . . . . 0.0 116.694 -169.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.53 -43.47 98.74 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 118.801 0.728 . . . . 0.0 112.346 176.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.98 -43.04 72.29 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.788 174.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -46.82 66.67 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 120.298 1.408 . . . . 0.0 110.66 170.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -46.74 87.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 119.24 0.927 . . . . 0.0 111.148 175.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.09 -55.99 24.91 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.011 0.924 . . . . 0.0 113.126 177.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.96 -49.32 80.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 119.117 0.872 . . . . 0.0 111.569 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -72.79 -38.79 67.12 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.258 0.935 . . . . 0.0 111.512 -168.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.45 -52.77 63.8 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 118.776 -0.63 . . . . 0.0 109.902 175.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.68 -37.36 87.05 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.683 0.674 . . . . 0.0 111.815 179.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 15' ' ' TRP . . . . . 0.538 ' CZ2' ' HB3' ' D' ' 72' ' ' SER . 1.1 t90 -54.25 -47.63 72.04 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.179 0.9 . . . . 0.0 112.028 171.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.85 -8.44 7.99 Favored Glycine 0 CA--C 1.541 1.665 0 C-N-CA 125.139 1.352 . . . . 0.0 115.808 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.03 -8.42 5.98 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.996 2.118 . . . . 0.0 111.666 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.7 135.92 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 125.148 1.379 . . . . 0.0 110.138 173.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -85.33 84.33 7.69 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 46.0 t -52.44 -36.65 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -165.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -72.3 -36.02 68.82 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 176.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -91.48 -49.84 6.11 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.793 -0.567 . . . . 0.0 110.97 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.09 -28.58 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 119.081 0.855 . . . . 0.0 112.41 169.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.66 -46.6 7.8 Favored Glycine 0 C--N 1.341 0.815 0 CA-C-N 119.418 1.008 . . . . 0.0 112.008 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.35 -39.83 93.27 Favored Glycine 0 N--CA 1.47 0.912 0 CA-C-N 118.158 0.979 . . . . 0.0 111.836 169.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.11 -52.33 59.71 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 124.521 1.128 . . . . 0.0 111.858 172.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 27' ' ' ALA . . . . . 0.414 ' HA ' HG13 ' D' ' 113' ' ' VAL . . . -61.75 -49.55 75.95 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.887 1.676 . . . . 0.0 112.436 -178.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 23.4 tp -70.03 -45.6 66.84 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 119.025 -0.512 . . . . 0.0 111.459 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.15 -45.42 96.05 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 119.485 1.039 . . . . 0.0 112.263 176.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 30' ' ' ARG . . . . . 0.66 ' HA ' HG23 ' D' ' 33' ' ' VAL . 0.0 OUTLIER -59.87 -28.41 67.51 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 117.77 -1.109 . . . . 0.0 111.436 175.594 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -53.75 33.71 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 120.581 1.537 . . . . 0.0 110.645 175.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.23 -31.05 68.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.894 0.478 . . . . 0.0 112.056 -179.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 33' ' ' VAL . . . . . 0.66 HG23 ' HA ' ' D' ' 30' ' ' ARG . 1.0 OUTLIER -79.8 -10.25 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 174.828 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 98.4 t -100.5 -44.13 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 120.688 1.585 . . . . 0.0 110.769 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 35' ' ' TYR . . . . . 0.407 ' CZ ' HD22 ' D' ' 105' ' ' LEU . 83.5 m-85 -125.07 69.68 59.43 Favored Pre-proline 0 CA--C 1.533 0.323 0 C-N-CA 124.563 1.145 . . . . 0.0 110.482 -178.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -44.23 -32.45 5.06 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.854 3.036 . . . . 0.0 115.858 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -50.93 -41.2 58.72 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.425 1.09 . . . . 0.0 113.139 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 75.3 p -59.88 -25.92 65.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.8 1.24 . . . . 0.0 112.585 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.3 -22.24 52.18 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 118.322 -0.847 . . . . 0.0 112.434 174.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -55.56 -32.99 63.46 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 121.246 1.839 . . . . 0.0 112.67 177.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -84.43 12.88 6.08 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 174.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 42' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' D' ' 43' ' ' GLU . 0.8 OUTLIER -62.39 -78.31 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.904 1.229 . . . . 0.0 111.213 172.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 43' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' D' ' 42' ' ' PHE . 41.3 mt-10 41.21 5.48 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.332 0 N-CA-C 117.977 2.584 . . . . 0.0 117.977 -165.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 92.1 p -142.14 -33.4 0.48 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.285 1.834 . . . . 0.0 114.106 -171.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -50.8 -31.05 15.84 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.696 1.999 . . . . 0.0 112.949 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.59 -50.09 3.76 Favored Glycine 0 N--CA 1.473 1.143 0 C-N-CA 125.47 1.509 . . . . 0.0 114.464 165.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -92.37 -118.32 0.08 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.628 1.171 . . . . 0.0 108.181 171.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.9 -19.45 0.05 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 127.509 2.324 . . . . 0.0 116.295 -177.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -50.32 -25.13 3.46 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 127.209 2.204 . . . . 0.0 114.894 -176.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -132.36 157.39 78.39 Favored Pre-proline 0 N--CA 1.468 0.444 0 C-N-CA 125.817 1.647 . . . . 0.0 111.642 168.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -53.08 -50.95 12.26 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 124.366 3.378 . . . . 0.0 114.893 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -62.52 -35.69 80.22 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.069 0.947 . . . . 0.0 112.409 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.72 -38.23 88.61 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 118.605 -0.712 . . . . 0.0 112.661 177.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -64.05 -38.08 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-N 120.892 1.678 . . . . 0.0 112.38 177.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -38.12 48.18 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.57 -15.85 78.87 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 123.651 0.643 . . . . 0.0 114.444 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -64.58 122.5 78.94 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-N 118.354 1.077 . . . . 0.0 112.787 -177.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -58.38 -35.47 98.65 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.266 2.644 . . . . 0.0 113.083 177.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -22.56 60.07 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 177.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 73.2 t -78.02 -36.03 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 CA-C-N 120.241 1.382 . . . . 0.0 110.941 169.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -60.77 -48.4 81.98 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.47 1.032 . . . . 0.0 111.698 167.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.18 76.53 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -64.51 -36.46 84.28 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 120.568 -1.333 . . . . 0.0 111.199 171.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.94 -48.0 64.07 Favored Glycine 0 N--CA 1.471 1.032 0 C-N-CA 125.984 1.755 . . . . 0.0 112.954 172.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -59.87 -32.6 70.87 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 170.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -76.94 -47.88 19.72 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.184 0.994 . . . . 0.0 113.285 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.71 -42.95 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.761 1.164 . . . . 0.0 110.931 170.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -77.6 -34.08 53.57 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.892 -1.13 . . . . 0.0 112.874 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.05 -33.6 51.28 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.568 1.556 . . . . 0.0 113.218 167.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.13 -43.11 75.04 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.607 -0.937 . . . . 0.0 112.47 169.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -58.96 -41.11 86.71 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.208 1.367 . . . . 0.0 112.325 173.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 72' ' ' SER . . . . . 0.538 ' HB3' ' CZ2' ' D' ' 15' ' ' TRP . 0.3 OUTLIER -66.73 -40.72 88.47 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 120.873 1.67 . . . . 0.0 114.055 171.055 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -56.87 -27.45 60.47 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.666 1.121 . . . . 0.0 111.929 169.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.12 -69.29 1.33 Allowed Glycine 0 C--N 1.338 0.646 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 164.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.31 -30.56 12.26 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -178.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.51 -14.42 58.89 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.994 1.718 . . . . 0.0 114.842 176.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -149.49 35.92 0.72 Allowed 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -167.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 69.7 mt -64.36 -2.41 2.2 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -79.29 -6.88 57.69 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.89 1.676 . . . . 0.0 114.181 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -133.67 -47.85 0.81 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -174.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 50.26 14.72 0.16 Allowed 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 -175.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -139.57 -60.84 0.55 Allowed 'General case' 0 N--CA 1.485 1.281 0 O-C-N 120.125 -1.609 . . . . 0.0 111.319 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.57 -38.34 91.08 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.01 0.814 . . . . 0.0 114.873 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.5 t -69.56 -25.14 63.85 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 118.429 1.114 . . . . 0.0 113.153 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -109.5 1.7 19.97 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -174.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.09 -40.15 57.72 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 121.072 1.76 . . . . 0.0 114.261 -171.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 4.3 p -64.09 -44.27 92.85 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.587 1.155 . . . . 0.0 113.039 172.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 12.4 mt -66.45 -43.35 85.81 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-O 118.567 -0.73 . . . . 0.0 111.41 173.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 5.2 t -59.5 -40.58 87.53 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.696 1.199 . . . . 0.0 111.737 176.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.75 -54.99 38.53 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.399 -0.813 . . . . 0.0 111.566 170.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 28.7 tp -52.12 -48.34 64.88 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.221 -0.924 . . . . 0.0 111.309 175.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -81.73 11.59 4.69 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 125.626 1.57 . . . . 0.0 114.23 -175.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 40.9 t -134.01 -56.71 0.87 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.696 1.198 . . . . 0.0 111.211 175.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -74.25 -43.71 55.9 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.128 -0.983 . . . . 0.0 112.175 -175.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -84.99 -37.07 20.87 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.658 0.783 . . . . 0.0 111.678 173.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 8.6 mt -136.84 54.49 1.87 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.906 1.282 . . . . 0.0 113.159 -166.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -59.14 20.1 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 116.169 1.914 . . . . 0.0 116.169 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -41.75 136.69 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 126.228 1.811 . . . . 0.0 112.01 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.51 128.86 43.35 Favored Pre-proline 0 CA--C 1.555 1.138 0 CA-C-O 118.353 -0.832 . . . . 0.0 111.898 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -45.05 -29.77 4.17 Favored 'Trans proline' 0 C--N 1.356 0.942 1 C-N-CA 125.717 4.278 . . . . 0.0 117.219 -169.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -45.73 -40.61 9.6 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.128 1.771 . . . . 0.0 112.755 171.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -32.69 73.89 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 120.468 -1.395 . . . . 0.0 112.926 178.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -68.7 -48.05 64.85 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.598 1.09 . . . . 0.0 110.224 174.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -44.15 73.64 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.556 0.742 . . . . 0.0 110.693 174.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 105' ' ' LEU . . . . . 0.407 HD22 ' CZ ' ' D' ' 35' ' ' TYR . 58.5 mt -59.56 -47.98 83.43 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.825 1.25 . . . . 0.0 112.852 173.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.12 -46.58 82.53 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.007 1.276 . . . . 0.0 111.077 175.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.61 -49.61 64.5 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 123.751 0.691 . . . . 0.0 113.688 173.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -57.04 -36.63 70.71 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.968 1.707 . . . . 0.0 111.902 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.43 -48.81 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 O-C-N 121.275 -0.891 . . . . 0.0 111.912 173.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 60.3 tp -53.4 -50.19 65.68 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.478 1.036 . . . . 0.0 111.29 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 23.2 m -61.92 -35.65 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.01 -38.3 82.27 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.193 0.906 . . . . 0.0 113.136 169.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 113' ' ' VAL . . . . . 0.414 HG13 ' HA ' ' D' ' 27' ' ' ALA . 2.1 m -74.48 -36.61 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 O-C-N 120.67 -1.269 . . . . 0.0 112.979 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.62 -38.03 89.59 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.263 0.483 . . . . 0.0 110.407 172.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 115' ' ' ALA . . . . . 0.438 ' HB3' HG12 ' C' ' 107' ' ' VAL . . . -61.18 -35.45 77.18 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 171.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -60.77 -59.32 5.57 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.666 0.666 . . . . 0.0 110.876 168.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -76.29 -23.98 54.4 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -166.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -130.7 23.72 5.04 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.808 1.243 . . . . 0.0 113.253 -172.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -38.63 -37.1 0.51 Allowed Glycine 0 N--CA 1.48 1.623 0 N-CA-C 117.697 1.839 . . . . 0.0 117.697 -173.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -63.24 -46.64 85.99 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.294 1.438 . . . . 0.0 112.816 175.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -85.6 -23.89 27.39 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.104 1.762 . . . . 0.0 111.435 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -73.68 45.62 0.19 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.4 2.28 . . . . 0.0 112.63 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 3.8 t -52.55 150.51 9.08 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 124.649 1.18 . . . . 0.0 110.947 167.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . 0.276 13.4 Cg_exo -32.59 -49.49 0.36 Allowed 'Trans proline' 0 CA--C 1.549 1.229 0 C-N-CA 124.715 3.61 . . . . 0.0 118.06 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 125' ' ' PRO . . . . . 0.485 ' HA ' HD12 ' C' ' 34' ' ' LEU . 23.7 Cg_exo -65.81 -24.67 53.95 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.823 2.349 . . . . 0.0 116.371 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 1.6 t -59.66 -42.07 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.491 1.041 . . . . 0.0 111.704 178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.1 -44.21 96.33 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 118.082 -0.961 . . . . 0.0 111.459 175.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.17 91.61 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.45 1.023 . . . . 0.0 111.617 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -56.28 -55.52 32.26 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.351 0.661 . . . . 0.0 112.469 173.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -57.87 -47.53 82.48 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 121.509 -0.745 . . . . 0.0 111.348 175.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -54.01 -34.88 61.08 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 117.459 -1.258 . . . . 0.0 113.002 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -75.42 -46.08 34.92 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 120.195 1.361 . . . . 0.0 113.357 173.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 1.3 p -62.1 -39.4 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 CA-C-N 120.906 1.685 . . . . 0.0 111.389 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 55.8 t -64.61 -39.51 85.87 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 C-N-CA 126.567 1.947 . . . . 0.0 111.375 174.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.46 96.21 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.7 1.136 . . . . 0.0 111.681 172.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.67 -48.69 75.45 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 174.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 2.0 t -62.33 -42.17 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 173.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.58 81.16 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 120.126 1.33 . . . . 0.0 111.27 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -64.38 -33.03 74.92 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 172.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.82 -51.89 66.42 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 119.515 1.052 . . . . 0.0 111.636 172.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.2 -24.81 64.08 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.458 -0.776 . . . . 0.0 111.387 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 142' ' ' ALA . . . . . 0.479 ' HA ' ' CE1' ' D' ' 145' ' ' TYR . . . -86.1 -1.05 57.03 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 169.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -59.96 -47.46 85.71 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 119.874 -1.766 . . . . 0.0 112.387 -176.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -57.91 -5.31 0.41 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 145' ' ' TYR . . . . . 0.479 ' CE1' ' HA ' ' D' ' 142' ' ' ALA . 1.4 m-85 -71.92 -7.28 47.63 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.774 1.23 . . . . 0.0 111.789 178.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 C--O 1.256 1.416 0 C-N-CA 125.683 1.593 . . . . 0.0 114.624 169.57 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.253 5.1 p . . . . . 0 N--CA 1.515 2.796 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.3 mt -137.09 172.71 12.6 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.66 1.584 . . . . 0.0 111.012 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.81 170.14 6.97 Favored Pre-proline 0 N--CA 1.475 0.811 0 C-N-CA 125.857 1.663 . . . . 0.0 110.682 -176.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -78.79 -40.8 0.27 Allowed 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.624 2.216 . . . . 0.0 112.931 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.1 -30.18 69.29 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -177.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.62 -43.47 98.79 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 118.801 0.728 . . . . 0.0 110.816 174.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -54.94 -49.75 70.59 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.934 0.894 . . . . 0.0 111.043 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.8 m -57.82 -44.28 86.32 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.806 0.842 . . . . 0.0 111.611 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -68.79 -35.37 76.95 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 177.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.0 t -65.9 -50.13 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 119.162 0.892 . . . . 0.0 110.992 172.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -58.64 -44.2 89.97 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.205 0.911 . . . . 0.0 111.334 176.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.12 -51.4 69.46 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.401 0.68 . . . . 0.0 111.825 175.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.06 -54.12 45.96 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.706 0.685 . . . . 0.0 112.254 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -61.92 -27.67 68.99 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.878 0.871 . . . . 0.0 112.916 -177.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.43 -36.89 93.98 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.218 0.913 . . . . 0.0 113.688 170.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -74.91 -35.0 62.22 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 118.438 1.119 . . . . 0.0 111.673 172.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.49 -51.03 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.144 0.978 . . . . 0.0 111.183 174.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.73 -133.79 9.24 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.274 0.94 . . . . 0.0 113.867 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.91 -22.25 47.65 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 178.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -70.73 -6.91 41.0 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 175.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.72 -43.28 57.88 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 120.772 -1.205 . . . . 0.0 112.67 176.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.44 -48.28 75.42 Favored Glycine 0 C--N 1.341 0.806 0 C-N-CA 123.461 0.553 . . . . 0.0 113.643 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -66.75 -35.3 79.79 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.05 0.925 . . . . 0.0 111.739 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -65.63 -35.75 81.71 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.265 0.938 . . . . 0.0 112.536 173.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.21 -46.59 70.33 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 119.43 1.013 . . . . 0.0 112.619 171.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.87 -49.73 74.59 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.934 0.894 . . . . 0.0 111.687 175.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -54.97 -48.84 72.71 Favored 'General case' 0 C--O 1.227 -0.107 0 C-N-CA 125.216 1.406 . . . . 0.0 111.898 170.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.53 -38.32 89.55 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.957 0.799 . . . . 0.0 112.852 -175.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.16 -51.51 66.13 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.283 1.033 . . . . 0.0 111.65 173.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -55.06 -53.24 58.39 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.639 -0.663 . . . . 0.0 111.698 173.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.6 mtt-85 -52.62 -40.43 62.74 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.74 1.216 . . . . 0.0 112.137 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.4 tmm? -59.9 -47.93 83.76 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.167 0.894 . . . . 0.0 112.058 173.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -61.64 -37.25 83.31 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.96 -35.45 14.69 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 178.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.5 m -71.16 -15.82 62.5 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.658 1.117 . . . . 0.0 113.197 176.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -142.43 79.37 15.61 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 125.201 1.4 . . . . 0.0 109.854 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -49.74 -27.83 16.19 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 123.946 3.097 . . . . 0.0 115.274 -178.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -32.71 9.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.013 1.725 . . . . 0.0 114.02 171.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -18.12 59.38 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 178.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -60.82 -27.4 68.03 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 120.409 1.459 . . . . 0.0 114.205 -176.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.7 t -57.51 -28.98 63.94 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 173.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -32.83 74.39 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-O 117.934 -1.031 . . . . 0.0 113.623 -175.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.3 t80 5.13 77.53 0.05 OUTLIER Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 128.869 2.868 . . . . 0.0 114.599 172.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -64.0 -57.06 0.38 Allowed 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 122.177 1.918 . . . . 0.0 111.846 -172.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -169.24 9.8 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 126.494 1.918 . . . . 0.0 113.567 174.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.12 140.74 41.95 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.758 -1.214 . . . . 0.0 112.996 -167.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.0 -42.21 76.77 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.2 mt 46.84 26.73 0.6 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.057 1.743 . . . . 0.0 114.652 -172.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.3 m -74.78 28.32 0.09 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.004 2.122 . . . . 0.0 115.19 -175.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 74.3 t60 62.14 136.37 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 127.93 2.492 . . . . 0.0 113.923 -166.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.82 16.78 64.26 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 124.052 0.834 . . . . 0.0 114.88 -177.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.7 m -55.54 112.01 1.03 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.97 2.108 . . . . 0.0 114.208 -170.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.83 -36.23 64.78 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -176.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -64.34 -35.64 81.54 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.552 -0.717 . . . . 0.0 112.644 175.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.09 -35.91 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 O-C-N 121.541 -0.725 . . . . 0.0 110.959 174.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -63.04 -49.05 76.1 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 119.152 0.887 . . . . 0.0 111.559 172.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.31 -52.7 47.58 Favored Glycine 0 N--CA 1.471 0.971 0 C-N-CA 124.35 0.976 . . . . 0.0 112.753 177.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -55.73 -43.77 76.88 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 117.95 0.875 . . . . 0.0 111.33 172.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.04 -50.61 54.51 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 124.401 1.001 . . . . 0.0 113.782 171.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -57.12 -41.36 78.88 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 119.187 1.493 . . . . 0.0 112.668 172.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -69.35 -45.05 70.35 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.988 0.813 . . . . 0.0 111.398 -178.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.9 t -53.86 -47.96 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.27 1.028 . . . . 0.0 110.567 168.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.95 -46.77 87.84 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.6 -42.57 99.65 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.017 0.927 . . . . 0.0 111.331 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.15 -40.18 80.69 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.756 0.823 . . . . 0.0 112.771 169.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.24 -44.1 84.69 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.574 -0.703 . . . . 0.0 111.604 173.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 66.4 m -57.79 -41.88 83.01 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.937 1.244 . . . . 0.0 112.025 172.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -58.26 -46.39 86.1 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.866 0.866 . . . . 0.0 111.404 170.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.7 -44.94 86.22 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.581 -0.699 . . . . 0.0 112.787 172.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -61.42 -45.13 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-N 120.059 1.3 . . . . 0.0 111.74 175.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.82 -23.99 66.8 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.978 1.311 . . . . 0.0 113.974 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -131.89 31.84 4.15 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.126 1.37 . . . . 0.0 111.679 -173.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.9 -18.8 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -164.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -102.75 -1.78 29.31 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.781 1.232 . . . . 0.0 114.056 173.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -127.75 -3.19 5.95 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.297 2.239 . . . . 0.0 113.084 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -61.96 -19.05 0.49 Allowed Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 118.266 2.691 . . . . 0.0 118.266 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -43.2 -24.4 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 124.523 3.482 . . . . 0.0 117.997 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -118.22 -22.29 7.79 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 167.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.44 -18.39 63.7 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.4 mt -101.44 3.99 40.9 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.213 1.005 . . . . 0.0 113.29 172.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.1 t -56.82 -36.57 70.1 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 120.101 1.318 . . . . 0.0 114.512 -169.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.68 -34.07 72.4 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.11 -0.994 . . . . 0.0 112.555 173.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.5 mt -76.57 -41.06 47.75 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.125 0.97 . . . . 0.0 110.575 174.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.2 m -59.14 -40.48 85.59 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.017 0.527 . . . . 0.0 112.109 175.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -60.99 -50.0 75.17 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.178 0.991 . . . . 0.0 112.234 172.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tp -49.45 -56.18 10.6 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.818 0.847 . . . . 0.0 110.929 171.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -69.79 -41.63 74.82 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.407 -0.808 . . . . 0.0 112.641 -174.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.29 -13.92 58.81 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -124.67 -47.75 1.82 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.692 1.133 . . . . 0.0 113.576 -172.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -65.39 -44.52 87.23 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.461 1.028 . . . . 0.0 113.277 -171.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 mp -130.5 1.84 4.55 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.761 1.224 . . . . 0.0 113.431 172.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.43 46.91 10.82 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 126.222 1.809 . . . . 0.0 112.829 -171.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.9 t -48.86 124.19 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 127.585 2.354 . . . . 0.0 111.414 -177.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -71.05 119.11 71.43 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 126.996 2.119 . . . . 0.0 112.797 -177.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -45.92 -32.61 9.69 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 124.868 3.712 . . . . 0.0 116.342 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.433 HG12 HD21 ' A' ' 97' ' ' ASN . 8.5 p -50.79 -38.88 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 O-C-N 120.779 -1.2 . . . . 0.0 112.898 172.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.433 HD21 HG12 ' A' ' 96' ' ' VAL . 0.9 OUTLIER -61.15 -37.53 83.19 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.651 1.114 . . . . 0.0 111.859 178.592 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -43.09 88.03 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-O 119.215 -0.422 . . . . 0.0 109.993 173.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -55.3 -41.42 72.33 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.465 0.706 . . . . 0.0 110.198 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.01 -58.7 7.31 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.531 1.132 . . . . 0.0 110.623 177.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -29.72 70.58 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.557 -0.714 . . . . 0.0 112.107 -178.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.4 t -60.75 -51.12 70.68 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.595 1.558 . . . . 0.0 112.345 173.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -57.55 -41.87 81.84 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.686 -0.634 . . . . 0.0 110.99 171.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 84.3 m -67.34 -34.9 78.3 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 178.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.0 mt -62.62 -51.35 67.64 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.806 1.242 . . . . 0.0 110.284 170.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.7 mt -51.19 -45.32 61.78 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.238 0.615 . . . . 0.0 112.018 172.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.1 t -55.66 -48.0 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.57 0.748 . . . . 0.0 112.948 171.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -36.16 83.06 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 120.343 1.428 . . . . 0.0 113.563 176.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.66 -46.91 83.47 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 120.136 1.335 . . . . 0.0 110.107 172.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.59 -38.95 56.84 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.437 1.095 . . . . 0.0 113.482 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.53 -12.09 60.38 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 -177.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -127.49 -26.97 2.94 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -171.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.56 178.93 2.13 Favored Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 124.497 1.119 . . . . 0.0 110.513 170.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -54.68 -147.1 0.0 OUTLIER 'Trans proline' 0 CA--C 1.55 1.302 1 C-N-CA 125.554 4.169 . . . . 0.0 115.188 164.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.418 ' HA ' ' CE1' ' B' ' 116' ' ' HIS . . . -63.1 50.67 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.505 1.922 . . . . 0.0 114.335 170.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -46.57 -34.54 5.01 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 128.665 2.786 . . . . 0.0 115.071 -164.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -73.27 48.94 0.25 Allowed 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.714 0.769 . . . . 0.0 111.98 165.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.48 164.53 37.34 Favored Pre-proline 0 N--CA 1.48 1.067 0 O-C-N 120.642 -1.287 . . . . 0.0 108.985 171.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -57.47 -54.29 3.63 Favored 'Trans proline' 0 C--N 1.346 0.432 0 CA-C-N 120.846 1.338 . . . . 0.0 112.115 172.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.45 -28.57 64.06 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 -175.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.2 t -88.17 -43.7 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 118.44 -0.79 . . . . 0.0 111.039 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -65.39 -53.58 41.15 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.05 1.295 . . . . 0.0 111.356 175.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.56 -1.02 5.82 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.4 t -93.54 -61.59 1.53 Allowed 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.912 0.885 . . . . 0.0 110.074 164.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.12 -37.91 84.49 Favored 'General case' 0 C--N 1.335 -0.057 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -171.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.48 -51.19 70.93 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 119.809 1.186 . . . . 0.0 111.363 177.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 -28.46 51.4 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.843 0.857 . . . . 0.0 113.225 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -60.77 -56.84 16.38 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 119.615 1.098 . . . . 0.0 110.21 168.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.88 -37.67 85.45 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.81 0.732 . . . . 0.0 111.465 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.06 -44.91 83.51 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.726 1.148 . . . . 0.0 112.317 170.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 34.9 t -62.71 -42.57 99.71 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.311 0.96 . . . . 0.0 113.282 171.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 95.2 t -51.99 -49.81 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-O 118.186 -0.911 . . . . 0.0 109.567 171.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.2 t -58.56 -54.97 40.99 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 118.37 -0.824 . . . . 0.0 113.011 174.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 95.5 m -49.19 -35.74 17.88 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.91 1.232 . . . . 0.0 112.588 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 50.8 t -75.06 -50.66 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.319 1.047 . . . . 0.0 112.246 172.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.51 -10.34 7.68 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.094 1.758 . . . . 0.0 114.451 175.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 38.0 p -119.44 2.07 11.24 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 127.076 2.151 . . . . 0.0 111.444 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.9 t -62.99 172.3 1.82 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.203 1.401 . . . . 0.0 112.746 170.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 33.9 pttt -150.47 -158.42 0.91 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.412 2.285 . . . . 0.0 110.416 -164.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -46.55 108.69 0.15 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.411 1.484 . . . . 0.0 111.685 169.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? . . . . . 0 C--O 1.252 1.216 0 C-N-CA 125.016 1.326 . . . . 0.0 113.068 -172.48 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.303 2.4 p . . . . . 0 N--CA 1.506 2.351 0 CA-C-O 116.966 -1.492 . . . . 0.0 112.692 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 71.5 t60 22.82 77.07 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 127.677 2.391 . . . . 0.0 116.081 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.23 161.25 19.71 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.664 0.786 . . . . 0.0 110.794 176.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.511 ' HG1' ' H ' ' B' ' 7' ' ' GLU . 6.5 p -67.47 157.76 84.64 Favored Pre-proline 0 N--CA 1.481 1.114 0 O-C-N 121.431 -0.793 . . . . 0.0 109.849 158.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -53.65 -38.9 84.68 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 122.466 2.111 . . . . 0.0 113.409 171.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -70.67 -43.03 69.95 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.609 1.164 . . . . 0.0 111.853 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.511 ' H ' ' HG1' ' B' ' 4' ' ' THR . 79.9 mt-10 -61.09 -42.95 99.45 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.459 -0.776 . . . . 0.0 111.49 170.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -60.13 -48.26 82.45 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.789 0.722 . . . . 0.0 110.962 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 51.3 m -55.23 -42.17 73.03 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 118.65 -0.69 . . . . 0.0 111.801 174.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.75 -56.25 24.66 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.263 0.938 . . . . 0.0 112.468 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.53 -52.97 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 119.543 1.065 . . . . 0.0 111.738 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.2 m -71.29 -34.06 70.3 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.156 0.889 . . . . 0.0 112.408 -170.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.56 77.59 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 120.113 1.324 . . . . 0.0 112.185 173.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -67.9 -42.42 81.17 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.402 -0.811 . . . . 0.0 110.532 172.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -51.27 -44.21 61.74 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.384 -0.822 . . . . 0.0 111.137 168.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.95 -12.45 15.14 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 127.077 2.275 . . . . 0.0 116.915 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.37 -2.13 7.5 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.492 1.646 . . . . 0.0 114.288 165.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.43 HG23 HG12 ' B' ' 23' ' ' VAL . 0.4 OUTLIER -58.22 139.84 17.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 123.903 0.881 . . . . 0.0 111.862 -178.556 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -84.7 77.72 10.0 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.71 0.804 . . . . 0.0 109.523 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 62.8 t -48.51 -36.21 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 C-N-CA 124.573 1.149 . . . . 0.0 113.631 -170.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -83.61 -10.78 58.01 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.476 1.91 . . . . 0.0 115.914 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -114.11 -52.49 2.73 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.752 1.221 . . . . 0.0 110.42 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.43 HG12 HG23 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -58.24 -32.32 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 121.216 -0.927 . . . . 0.0 111.904 172.516 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.96 -45.36 20.96 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 119.323 0.965 . . . . 0.0 112.01 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.69 -43.22 96.46 Favored Glycine 0 N--CA 1.469 0.888 0 CA-C-N 117.683 0.741 . . . . 0.0 112.188 172.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.0 -35.06 69.34 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 117.384 -1.293 . . . . 0.0 112.199 174.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.69 79.47 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 122.093 2.224 . . . . 0.0 111.309 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 tp -72.05 -44.26 63.62 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 122.345 -0.222 . . . . 0.0 111.198 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.54 -49.27 78.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 120.56 -1.337 . . . . 0.0 114.062 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -30.93 61.8 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 125.555 1.542 . . . . 0.0 112.142 175.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tt -78.12 -39.94 39.68 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.261 1.424 . . . . 0.0 112.852 172.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 53.9 mt -70.41 -34.15 72.18 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.728 -1.233 . . . . 0.0 110.72 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 22.6 m -75.96 -6.89 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.17 -4.79 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-N 121.17 1.804 . . . . 0.0 111.855 169.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 49.85 37.71 0.44 Allowed Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 125.652 1.581 . . . . 0.0 113.956 -166.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -81.92 178.04 6.82 Favored 'Trans proline' 0 C--N 1.359 1.079 0 C-N-CA 122.081 1.854 . . . . 0.0 110.271 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -40.22 -35.64 0.43 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 116.098 1.888 . . . . 0.0 116.098 176.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 24.2 p -54.69 -25.07 24.87 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.689 1.596 . . . . 0.0 114.411 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -46.56 -25.99 0.8 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.407 2.283 . . . . 0.0 114.91 173.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -50.95 -30.49 15.04 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -86.59 7.55 25.84 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -45.98 -39.79 9.49 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.89 1.676 . . . . 0.0 113.529 170.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.74 -22.33 57.49 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 16.7 t -97.31 -44.88 6.71 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.136 0.974 . . . . 0.0 112.181 173.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -61.76 -37.33 83.88 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.21 -106.18 2.96 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.56 1.076 . . . . 0.0 112.802 174.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.25 84.48 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.441 1.497 . . . . 0.0 112.655 177.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 tt -137.32 -19.03 1.26 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.964 1.706 . . . . 0.0 113.439 -174.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.7 t -54.93 -23.9 21.18 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.061 1.345 . . . . 0.0 114.37 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' THR . . . . . 0.549 ' HG1' ' H ' ' B' ' 53' ' ' ALA . 32.4 p -124.95 154.51 71.13 Favored Pre-proline 0 N--CA 1.474 0.735 0 C-N-CA 124.507 1.123 . . . . 0.0 111.299 167.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -55.88 -42.73 64.09 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.099 2.532 . . . . 0.0 114.004 173.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.04 -37.56 83.05 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.445 0.698 . . . . 0.0 111.801 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.549 ' H ' ' HG1' ' B' ' 50' ' ' THR . . . -62.37 -54.72 36.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.589 0.356 . . . . 0.0 111.072 170.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -37.35 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -171.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -71.34 -27.08 63.13 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.457 1.026 . . . . 0.0 113.61 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.6 -1.13 59.02 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 124.388 0.994 . . . . 0.0 114.684 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -74.39 130.38 82.26 Favored Pre-proline 0 CA--C 1.555 1.135 0 C-N-CA 125.342 1.457 . . . . 0.0 112.887 -170.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -67.93 -37.3 15.7 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 123.787 2.991 . . . . 0.0 113.659 -177.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -66.11 -45.56 80.73 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 121.212 -0.93 . . . . 0.0 110.777 174.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 83.6 t -62.03 -46.45 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.724 0.81 . . . . 0.0 111.557 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -66.05 -38.43 88.34 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 119.614 1.097 . . . . 0.0 113.043 176.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.7 -45.25 90.9 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.399 1.0 . . . . 0.0 112.793 173.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -61.85 -35.91 79.66 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.236 -0.915 . . . . 0.0 111.08 173.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.68 -50.37 63.77 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.385 1.469 . . . . 0.0 114.066 166.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -58.61 -42.34 87.97 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.675 1.238 . . . . 0.0 111.508 173.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -63.19 -53.85 46.74 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.971 0.908 . . . . 0.0 112.593 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.415 HG11 ' C1B' ' B' ' 201' ' ' HEC . 18.3 m -57.74 -44.9 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 CA-C-N 119.394 0.997 . . . . 0.0 111.181 177.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.411 ' HA ' ' CD2' ' B' ' 71' ' ' PHE . 3.3 tt -71.94 -35.66 69.67 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.476 -0.765 . . . . 0.0 112.242 -177.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.61 -42.04 93.95 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.333 0.968 . . . . 0.0 112.303 170.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.32 85.02 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.854 -0.792 . . . . 0.0 113.064 171.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.411 ' CD2' ' HA ' ' B' ' 68' ' ' LEU . 4.4 m-30 -60.57 -35.59 76.44 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.514 -1.366 . . . . 0.0 111.331 170.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -41.42 87.61 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.448 1.099 . . . . 0.0 113.219 171.17 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -57.45 -32.53 67.01 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.453 1.024 . . . . 0.0 111.86 170.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.22 -63.6 4.76 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 123.725 0.679 . . . . 0.0 111.68 166.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.61 -35.15 40.56 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.41 -28.45 62.0 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 176.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.8 49.18 1.49 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.082 1.753 . . . . 0.0 111.424 -169.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.33 -21.54 62.17 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.753 -1.217 . . . . 0.0 113.912 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.18 -19.65 65.47 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 174.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -97.8 -65.84 0.94 Allowed 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 118.981 0.809 . . . . 0.0 112.662 -175.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 46.15 18.12 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 116.969 2.211 . . . . 0.0 116.969 -173.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -138.21 -66.09 0.5 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.269 1.428 . . . . 0.0 111.299 176.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.37 -35.02 77.1 Favored Glycine 0 N--CA 1.479 1.551 0 CA-C-N 118.882 0.764 . . . . 0.0 113.892 177.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.3 p -67.91 -13.82 62.47 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.327 1.851 . . . . 0.0 114.853 173.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -128.9 -4.33 5.13 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.526 1.53 . . . . 0.0 113.931 -174.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.99 -40.9 70.56 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 120.169 1.35 . . . . 0.0 113.414 -173.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 25.0 p -64.55 -36.59 84.72 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.754 1.221 . . . . 0.0 113.017 173.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 71.4 mt -77.17 -37.16 54.32 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.325 1.05 . . . . 0.0 112.04 176.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 4.3 t -61.27 -44.67 96.85 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.521 1.128 . . . . 0.0 110.304 171.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.85 -49.27 78.37 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.244 -0.91 . . . . 0.0 112.343 170.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 49.4 tp -55.64 -53.92 50.55 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.477 1.035 . . . . 0.0 112.116 177.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -82.53 -19.95 37.62 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -170.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 49.5 t -90.68 -64.54 1.12 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.732 0.813 . . . . 0.0 112.074 169.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -75.99 -40.49 53.6 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.49 -1.381 . . . . 0.0 113.223 -169.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.4 -41.49 21.85 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 56.4 mt -114.63 -24.19 8.88 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -171.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 34.11 46.95 0.17 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.792 2.437 . . . . 0.0 114.915 -169.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.58 150.37 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 120.879 -1.138 . . . . 0.0 110.612 -178.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -64.51 141.34 98.21 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 123.614 0.765 . . . . 0.0 112.75 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.65 -28.92 44.11 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.698 2.266 . . . . 0.0 114.108 -171.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -67.35 -27.45 67.14 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.847 -1.158 . . . . 0.0 112.656 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -55.53 -49.99 71.18 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.169 1.387 . . . . 0.0 112.475 173.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -59.29 -46.31 88.89 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.657 1.183 . . . . 0.0 111.384 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -60.54 -44.93 95.55 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.746 0.818 . . . . 0.0 111.698 176.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.35 -46.2 91.22 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 118.567 -0.73 . . . . 0.0 112.007 175.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.99 -41.17 77.92 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.682 1.128 . . . . 0.0 109.82 176.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.45 -55.44 30.44 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 115.029 0.771 . . . . 0.0 115.029 174.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.59 -40.34 94.43 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 118.239 1.02 . . . . 0.0 111.12 177.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 98.0 t -66.72 -36.22 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 O-C-N 121.122 -0.986 . . . . 0.0 111.746 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 14.1 tp -54.45 -55.28 30.45 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.726 1.148 . . . . 0.0 110.602 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.62 -30.08 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.043 0.838 . . . . 0.0 112.873 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 78.3 m -70.76 -46.93 62.05 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 174.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 13.7 p -65.16 -36.53 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 120.012 1.278 . . . . 0.0 111.653 174.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 68.5 mt -58.76 -47.43 84.7 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.506 1.048 . . . . 0.0 110.815 171.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.5 -34.99 77.97 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 175.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . 0.418 ' CE1' ' HA ' ' A' ' 115' ' ' ALA . 11.2 t60 -65.49 -59.1 4.35 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.769 1.168 . . . . 0.0 112.005 169.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -65.39 -21.99 66.74 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -168.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -131.27 43.55 3.07 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.152 1.781 . . . . 0.0 111.228 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.3 -32.54 37.16 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.075 1.322 . . . . 0.0 116.202 -176.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -71.32 -8.83 56.32 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 118.783 1.291 . . . . 0.0 114.34 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -130.45 5.13 4.74 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.102 1.761 . . . . 0.0 113.193 -170.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.46 33.47 0.05 Allowed 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 -169.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' THR . . . . . 0.577 ' HG1' ' H ' ' B' ' 126' ' ' VAL . 17.6 p -43.65 148.51 0.71 Allowed Pre-proline 0 N--CA 1.486 1.344 0 C-N-CA 125.139 1.376 . . . . 0.0 113.983 -167.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -45.66 -48.16 12.53 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 121.911 1.741 . . . . 0.0 114.426 174.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.07 -30.31 56.21 Favored 'Trans proline' 0 C--N 1.353 0.801 0 CA-C-O 116.9 -1.375 . . . . 0.0 114.043 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . 0.577 ' H ' ' HG1' ' B' ' 123' ' ' THR . 0.3 OUTLIER -63.16 -40.21 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 122.683 2.492 . . . . 0.0 112.589 177.595 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -60.59 -54.23 47.95 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.948 0.499 . . . . 0.0 110.052 172.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.1 -36.8 82.8 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -177.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.42 -53.28 45.37 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.552 1.141 . . . . 0.0 111.528 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -56.07 -47.55 77.75 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 118.962 -0.542 . . . . 0.0 111.154 169.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -56.48 -40.31 74.69 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.78 0.718 . . . . 0.0 112.706 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -71.41 -33.1 69.14 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 120.014 1.279 . . . . 0.0 113.773 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 62.4 t -63.69 -50.87 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 CA-C-N 119.686 1.13 . . . . 0.0 109.664 168.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 12.0 t -61.86 -44.05 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 125.949 1.7 . . . . 0.0 112.725 -176.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.03 97.27 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.398 0.999 . . . . 0.0 111.789 175.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.13 -44.99 88.57 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 123.319 0.485 . . . . 0.0 112.577 168.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.59 -44.18 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.731 1.212 . . . . 0.0 113.323 175.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.69 93.69 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.2 0.909 . . . . 0.0 110.679 176.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -61.35 -40.19 93.38 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.418 0.687 . . . . 0.0 112.105 174.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.63 -45.12 91.7 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.217 1.007 . . . . 0.0 112.606 173.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.77 -24.43 63.51 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.605 -1.309 . . . . 0.0 112.332 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.63 -11.79 59.91 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 167.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -57.15 -43.7 82.75 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.162 -1.586 . . . . 0.0 113.474 -173.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -65.34 -7.84 15.44 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 176.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -67.62 -18.15 64.87 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 120.343 1.429 . . . . 0.0 112.256 175.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 33.9 m80 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.427 1.491 . . . . 0.0 113.126 -162.568 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.258 5.0 p . . . . . 0 N--CA 1.514 2.768 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 45.5 mt -137.13 172.61 12.75 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.716 1.606 . . . . 0.0 111.077 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.81 170.25 6.82 Favored Pre-proline 0 N--CA 1.475 0.787 0 C-N-CA 125.81 1.644 . . . . 0.0 110.654 -176.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -78.95 -40.77 0.26 Allowed 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 122.525 2.15 . . . . 0.0 112.837 176.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.09 -30.4 69.57 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -177.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -43.69 98.4 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.869 0.759 . . . . 0.0 110.743 174.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -54.72 -49.57 70.43 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.798 0.839 . . . . 0.0 111.137 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 64.5 m -58.06 -43.86 87.14 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.614 0.766 . . . . 0.0 111.538 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -69.11 -35.03 76.0 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.72 -0.613 . . . . 0.0 112.646 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.26 -49.96 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 119.055 0.843 . . . . 0.0 110.997 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -58.77 -44.13 90.57 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.059 0.845 . . . . 0.0 111.351 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.24 -51.43 69.39 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.267 0.627 . . . . 0.0 111.862 175.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.02 -53.93 48.61 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.796 0.726 . . . . 0.0 112.346 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -62.25 -27.46 69.02 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.663 0.785 . . . . 0.0 112.861 -177.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.39 -36.89 93.99 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.186 0.898 . . . . 0.0 113.708 170.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -74.92 -35.09 62.2 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 118.354 1.077 . . . . 0.0 111.74 172.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.29 -50.88 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.957 0.903 . . . . 0.0 111.183 174.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.67 -133.87 9.06 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.223 0.916 . . . . 0.0 113.946 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.85 -22.19 46.66 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -70.7 -7.24 43.2 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 175.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.49 -43.4 55.55 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.813 -1.179 . . . . 0.0 112.716 176.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.29 -48.34 75.44 Favored Glycine 0 C--N 1.341 0.81 0 C-N-CA 123.436 0.541 . . . . 0.0 113.594 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -66.76 -35.22 79.6 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.149 0.975 . . . . 0.0 111.814 177.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -65.84 -35.62 81.16 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.212 0.914 . . . . 0.0 112.538 173.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.1 -46.78 69.26 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-N 119.27 0.941 . . . . 0.0 112.54 171.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.56 75.17 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.894 0.878 . . . . 0.0 111.578 175.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -55.02 -48.85 72.82 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 125.33 1.452 . . . . 0.0 111.976 170.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.76 -37.98 88.76 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.784 0.72 . . . . 0.0 112.772 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.36 -51.54 65.46 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.352 1.061 . . . . 0.0 111.661 173.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -54.97 -53.27 57.82 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.635 -0.666 . . . . 0.0 111.597 173.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 78.4 mtt-85 -52.4 -40.42 62.08 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.716 1.206 . . . . 0.0 112.295 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 7.4 tmm? -60.27 -47.54 85.56 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.967 0.803 . . . . 0.0 112.004 173.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -61.94 -37.71 85.73 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.348 0.977 . . . . 0.0 113.575 -177.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.27 -35.5 15.26 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 178.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 63.3 m -71.1 -15.98 62.55 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.821 1.192 . . . . 0.0 113.181 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -142.32 79.45 15.74 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 125.171 1.389 . . . . 0.0 109.737 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -49.69 -28.02 16.37 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 123.958 3.105 . . . . 0.0 115.273 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.89 -32.09 8.34 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.947 1.699 . . . . 0.0 114.131 171.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.56 -18.11 58.85 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 177.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -60.71 -27.67 68.07 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 120.485 1.493 . . . . 0.0 114.202 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 13.9 t -57.31 -28.95 63.52 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 173.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -32.9 74.47 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -175.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 14.4 t80 5.22 77.55 0.05 OUTLIER Pre-proline 0 N--CA 1.48 1.031 0 C-N-CA 128.732 2.813 . . . . 0.0 114.548 172.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -64.15 -56.91 0.39 Allowed 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.109 1.872 . . . . 0.0 111.867 -172.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -169.36 10.06 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 126.548 1.939 . . . . 0.0 113.597 173.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.29 140.87 41.73 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 120.771 -1.205 . . . . 0.0 112.997 -167.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.14 -42.28 76.19 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 mt 47.07 26.45 0.63 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 126.035 1.734 . . . . 0.0 114.603 -172.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 62.2 m -74.45 28.14 0.08 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.162 2.185 . . . . 0.0 115.26 -175.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 74.4 t60 62.13 136.31 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.984 2.513 . . . . 0.0 113.949 -166.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.78 16.92 64.36 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.113 0.864 . . . . 0.0 114.907 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 48.8 m -55.48 112.04 1.03 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.884 2.074 . . . . 0.0 114.264 -170.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.69 -36.44 64.66 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -176.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.17 -35.78 81.9 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.511 -0.743 . . . . 0.0 112.753 175.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.97 -35.95 66.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 O-C-N 121.469 -0.769 . . . . 0.0 110.94 174.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -63.14 -48.97 76.21 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 119.236 0.925 . . . . 0.0 111.586 172.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.25 -52.64 48.14 Favored Glycine 0 N--CA 1.472 1.06 0 C-N-CA 124.232 0.92 . . . . 0.0 112.796 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -55.91 -43.56 77.43 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 117.828 0.814 . . . . 0.0 111.472 172.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.12 -50.53 55.14 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 124.353 0.978 . . . . 0.0 113.798 171.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -57.05 -41.5 78.8 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.146 1.473 . . . . 0.0 112.753 171.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -69.31 -44.92 70.77 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.805 0.729 . . . . 0.0 111.501 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 78.6 t -53.95 -48.0 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.309 1.043 . . . . 0.0 110.449 168.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.89 -46.73 88.13 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.71 -42.71 99.79 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.126 0.97 . . . . 0.0 111.363 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.01 -40.38 80.64 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.744 0.817 . . . . 0.0 112.893 169.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -44.14 85.34 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.55 -0.719 . . . . 0.0 111.7 172.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 65.4 m -57.6 -41.91 82.16 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.072 1.305 . . . . 0.0 112.013 172.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -58.32 -46.33 86.38 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.878 0.871 . . . . 0.0 111.444 170.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.65 -45.04 86.0 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 118.585 -0.722 . . . . 0.0 112.742 172.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 79.8 t -61.4 -45.09 99.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 120.104 1.32 . . . . 0.0 111.63 175.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.9 -23.91 66.74 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.003 1.321 . . . . 0.0 113.992 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -132.16 32.07 4.04 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.176 1.39 . . . . 0.0 111.671 -173.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.06 -18.83 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -164.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -102.52 -1.99 29.44 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.712 1.205 . . . . 0.0 114.019 173.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -127.74 -3.17 5.96 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 127.39 2.276 . . . . 0.0 113.096 -176.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -62.17 -18.97 0.48 Allowed Pre-proline 0 CA--C 1.545 0.78 0 N-CA-C 118.323 2.712 . . . . 0.0 118.323 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -43.22 -24.3 0.51 Allowed 'Trans proline' 0 C--N 1.362 1.286 0 C-N-CA 124.395 3.397 . . . . 0.0 118.063 174.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -118.32 -22.11 7.81 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 167.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.52 -18.73 64.13 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 120.497 1.499 . . . . 0.0 114.925 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 54.1 mt -101.23 3.94 41.39 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.212 1.005 . . . . 0.0 113.204 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 31.4 t -56.85 -36.56 70.16 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 120.193 1.36 . . . . 0.0 114.523 -169.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.7 -34.03 72.36 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.072 -1.018 . . . . 0.0 112.547 173.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 9.5 mt -76.56 -41.28 47.07 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.027 0.931 . . . . 0.0 110.518 174.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 5.2 m -58.91 -40.5 84.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.403 0.547 . . . . 0.0 112.156 175.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.01 -50.46 73.3 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.139 0.976 . . . . 0.0 112.071 172.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tp -49.02 -56.34 9.26 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.751 0.82 . . . . 0.0 111.02 171.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -69.23 -42.99 74.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 118.406 -0.807 . . . . 0.0 112.437 -174.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.19 -14.12 59.27 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -124.51 -47.69 1.84 Allowed 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.633 1.106 . . . . 0.0 113.691 -172.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -65.44 -44.46 87.25 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-N 119.442 1.019 . . . . 0.0 113.141 -171.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 mp -130.52 1.68 4.53 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.723 1.209 . . . . 0.0 113.459 172.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.88 47.07 12.31 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 126.272 1.829 . . . . 0.0 112.776 -171.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 60.8 t -49.33 123.99 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 127.573 2.349 . . . . 0.0 111.376 -176.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -70.94 119.18 71.68 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 126.927 2.091 . . . . 0.0 112.672 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -46.23 -32.15 10.06 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 124.852 3.701 . . . . 0.0 116.412 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 96' ' ' VAL . . . . . 0.433 HG12 HD21 ' C' ' 97' ' ' ASN . 8.8 p -51.21 -38.71 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 O-C-N 120.717 -1.239 . . . . 0.0 112.753 172.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . 0.433 HD21 HG12 ' C' ' 96' ' ' VAL . 0.9 OUTLIER -61.17 -37.61 83.52 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.564 1.074 . . . . 0.0 111.598 178.568 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -43.17 87.71 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.128 172.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -55.02 -41.91 71.92 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.455 0.702 . . . . 0.0 110.348 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.48 -59.17 5.83 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.652 1.181 . . . . 0.0 110.764 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -30.16 71.17 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.557 -0.714 . . . . 0.0 112.221 -178.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 47.9 t -60.42 -51.23 70.36 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.43 1.492 . . . . 0.0 112.458 173.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -57.26 -42.14 81.01 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.713 -0.617 . . . . 0.0 111.065 171.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 83.7 m -67.22 -34.83 78.3 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.87 -51.18 68.0 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.534 1.134 . . . . 0.0 110.077 170.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 5.7 mt -51.22 -44.82 61.75 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.373 0.669 . . . . 0.0 111.994 172.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.05 -48.3 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.718 0.807 . . . . 0.0 112.858 171.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.61 -36.29 83.31 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 120.171 1.35 . . . . 0.0 113.634 176.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.59 -47.14 82.69 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 120.076 1.307 . . . . 0.0 110.15 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.44 -39.06 56.64 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.326 1.05 . . . . 0.0 113.572 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.37 -11.85 60.36 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 116.512 2.041 . . . . 0.0 116.512 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -127.69 -27.05 2.88 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -171.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.67 179.17 2.03 Favored Pre-proline 0 CA--C 1.56 1.359 0 C-N-CA 124.348 1.059 . . . . 0.0 110.412 170.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -54.71 -147.23 0.0 OUTLIER 'Trans proline' 0 CA--C 1.551 1.335 1 C-N-CA 125.65 4.233 . . . . 0.0 115.14 164.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . 0.418 ' HA ' ' CE1' ' D' ' 116' ' ' HIS . . . -63.01 50.58 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.488 1.915 . . . . 0.0 114.431 170.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -46.65 -34.49 5.09 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 128.676 2.79 . . . . 0.0 115.113 -164.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -73.43 48.91 0.26 Allowed 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 121.859 0.838 . . . . 0.0 112.012 165.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.1 164.54 34.94 Favored Pre-proline 0 N--CA 1.478 0.956 0 O-C-N 120.532 -1.355 . . . . 0.0 108.993 170.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -57.15 -55.08 2.84 Favored 'Trans proline' 0 C--N 1.346 0.435 0 CA-C-N 120.85 1.339 . . . . 0.0 112.049 172.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.74 -29.33 65.54 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -175.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 61.5 t -87.53 -43.26 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-O 118.448 -0.787 . . . . 0.0 111.021 -177.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -65.77 -53.35 41.65 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 120.089 1.313 . . . . 0.0 111.205 175.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.7 -1.67 7.49 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 16.3 t -92.85 -61.6 1.55 Allowed 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.975 0.91 . . . . 0.0 110.257 164.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.12 -37.95 84.61 Favored 'General case' 0 C--N 1.338 0.066 0 CA-C-O 117.866 -1.064 . . . . 0.0 113.85 -171.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.54 -51.21 70.82 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.955 1.252 . . . . 0.0 111.277 178.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -28.74 53.44 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -60.58 -57.19 13.78 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.44 1.018 . . . . 0.0 110.157 168.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.68 -38.0 86.18 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.87 0.759 . . . . 0.0 111.383 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.93 -44.48 82.53 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.736 1.153 . . . . 0.0 112.288 170.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 35.3 t -63.02 -42.4 99.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.165 0.893 . . . . 0.0 113.164 171.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 93.5 t -52.07 -49.98 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-O 118.345 -0.836 . . . . 0.0 109.559 171.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 33.3 t -58.52 -54.85 42.39 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-O 118.251 -0.881 . . . . 0.0 112.891 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 93.3 m -49.43 -35.49 19.4 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.784 1.175 . . . . 0.0 112.474 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 49.7 t -75.43 -50.38 24.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 124.219 1.007 . . . . 0.0 112.176 172.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -10.26 7.67 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.124 1.77 . . . . 0.0 114.601 175.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 38.6 p -119.55 2.23 11.2 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 127.002 2.121 . . . . 0.0 111.439 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 6.9 t -62.93 172.22 1.83 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.272 1.429 . . . . 0.0 112.71 170.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -150.34 -158.41 0.91 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.485 2.314 . . . . 0.0 110.569 -165.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -46.75 109.09 0.17 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.327 1.451 . . . . 0.0 111.651 169.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? . . . . . 0 C--O 1.253 1.273 0 C-N-CA 124.962 1.305 . . . . 0.0 113.157 -172.51 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.305 2.4 p . . . . . 0 N--CA 1.505 2.322 0 CA-C-O 116.924 -1.512 . . . . 0.0 112.773 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 71.3 t60 22.79 77.07 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 127.633 2.373 . . . . 0.0 116.095 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.22 161.37 19.44 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.452 0.701 . . . . 0.0 110.854 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.519 ' HG1' ' H ' ' D' ' 7' ' ' GLU . 6.5 p -67.56 157.75 84.89 Favored Pre-proline 0 N--CA 1.481 1.08 0 O-C-N 121.444 -0.785 . . . . 0.0 109.832 158.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -53.66 -38.98 84.84 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.456 2.104 . . . . 0.0 113.38 172.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -70.56 -42.94 70.46 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.508 1.123 . . . . 0.0 112.002 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 7' ' ' GLU . . . . . 0.519 ' H ' ' HG1' ' D' ' 4' ' ' THR . 80.4 mt-10 -61.07 -43.0 99.54 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.516 -0.74 . . . . 0.0 111.387 170.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -60.22 -48.33 82.17 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.955 0.798 . . . . 0.0 110.868 176.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 51.1 m -55.23 -42.16 73.02 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 118.743 -0.646 . . . . 0.0 111.826 174.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.53 -56.58 20.33 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.16 0.891 . . . . 0.0 112.396 174.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.53 -52.96 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-N 119.5 1.045 . . . . 0.0 111.887 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -71.12 -34.2 70.83 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 119.117 0.872 . . . . 0.0 112.452 -170.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.91 -36.43 78.0 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 120.096 1.316 . . . . 0.0 112.347 173.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -68.17 -42.31 80.21 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.499 -0.75 . . . . 0.0 110.533 172.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -51.26 -44.24 61.73 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.607 0.763 . . . . 0.0 111.134 168.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.88 -12.59 15.38 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 127.055 2.264 . . . . 0.0 116.953 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.3 -2.07 7.56 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 119.479 1.639 . . . . 0.0 114.268 165.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.447 HG22 HG12 ' D' ' 23' ' ' VAL . 0.4 OUTLIER -58.24 139.9 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 123.978 0.911 . . . . 0.0 111.894 -178.592 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -84.81 77.91 9.99 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.741 0.816 . . . . 0.0 109.555 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 57.8 t -48.89 -35.9 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 124.606 1.163 . . . . 0.0 113.584 -171.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -85.32 -5.09 59.34 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.806 2.042 . . . . 0.0 115.885 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -120.28 -52.84 2.15 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.018 1.327 . . . . 0.0 110.291 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . 0.447 HG12 HG22 ' D' ' 18' ' ' VAL . 0.3 OUTLIER -57.73 -32.51 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 O-C-N 121.169 -0.957 . . . . 0.0 111.949 172.208 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.86 -45.32 21.73 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-N 119.294 0.952 . . . . 0.0 112.136 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.89 -42.99 96.98 Favored Glycine 0 N--CA 1.469 0.88 0 CA-C-N 117.656 0.728 . . . . 0.0 112.24 172.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.96 -35.06 69.43 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-O 117.253 -1.356 . . . . 0.0 112.208 174.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.08 -48.85 78.88 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 122.137 2.244 . . . . 0.0 111.253 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 tp -71.7 -44.41 64.24 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 122.435 -0.166 . . . . 0.0 111.185 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.68 -49.29 77.93 Favored Glycine 0 N--CA 1.471 1.017 0 O-C-N 120.634 -1.291 . . . . 0.0 113.887 176.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -31.05 61.63 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 125.635 1.574 . . . . 0.0 112.182 175.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tt -77.84 -40.34 40.59 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.323 1.449 . . . . 0.0 112.911 171.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 53.2 mt -70.08 -34.54 73.31 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.675 -1.265 . . . . 0.0 110.649 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 22.4 m -75.82 -6.61 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.29 -4.72 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-N 121.149 1.795 . . . . 0.0 111.883 169.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 49.79 37.77 0.44 Allowed Pre-proline 0 CA--C 1.555 1.137 0 C-N-CA 125.725 1.61 . . . . 0.0 113.812 -166.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -81.86 178.16 6.74 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 122.075 1.85 . . . . 0.0 110.206 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -40.32 -35.53 0.43 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 176.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 23.7 p -54.75 -25.19 26.22 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.692 1.597 . . . . 0.0 114.408 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -46.44 -25.94 0.76 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.327 2.251 . . . . 0.0 115.068 173.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -51.02 -30.58 15.72 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 175.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -86.49 7.54 25.57 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -45.98 -39.84 9.57 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.887 1.675 . . . . 0.0 113.484 170.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.69 -22.42 57.16 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 174.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 16.7 t -97.35 -44.74 6.75 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.052 0.941 . . . . 0.0 112.21 173.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -61.75 -37.32 83.81 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.13 -106.11 2.95 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.556 1.074 . . . . 0.0 112.856 174.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.22 84.33 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.465 1.506 . . . . 0.0 112.624 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 tt -137.18 -19.03 1.28 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.911 1.685 . . . . 0.0 113.468 -174.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 8.7 t -54.84 -23.9 20.52 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.985 1.314 . . . . 0.0 114.381 -173.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 50' ' ' THR . . . . . 0.567 ' HG1' ' H ' ' D' ' 53' ' ' ALA . 32.6 p -124.98 154.45 71.22 Favored Pre-proline 0 N--CA 1.472 0.664 0 C-N-CA 124.447 1.099 . . . . 0.0 111.371 167.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -56.0 -42.6 65.06 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.074 2.516 . . . . 0.0 114.057 173.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -61.02 -37.56 83.0 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.465 0.706 . . . . 0.0 111.744 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . 0.567 ' H ' ' HG1' ' D' ' 50' ' ' THR . . . -62.39 -54.67 36.9 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.669 0.388 . . . . 0.0 111.079 170.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.84 -37.41 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -171.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -71.17 -27.28 63.41 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.396 0.998 . . . . 0.0 113.646 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.54 -0.99 59.13 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.315 0.96 . . . . 0.0 114.729 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -74.53 130.3 82.13 Favored Pre-proline 0 CA--C 1.556 1.196 0 C-N-CA 125.357 1.463 . . . . 0.0 112.935 -170.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -67.79 -37.4 16.05 Favored 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 123.749 2.966 . . . . 0.0 113.565 -177.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -66.14 -45.55 80.61 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.3 -0.875 . . . . 0.0 110.854 174.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 83.6 t -61.95 -46.51 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.848 0.859 . . . . 0.0 111.559 178.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -66.02 -38.45 88.46 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 119.624 1.102 . . . . 0.0 113.048 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.77 -45.07 91.43 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.42 1.009 . . . . 0.0 112.832 173.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -61.81 -36.13 80.22 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.258 -0.901 . . . . 0.0 111.084 173.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.41 -50.53 62.01 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 125.564 1.554 . . . . 0.0 114.154 166.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -58.71 -42.2 88.13 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.678 1.239 . . . . 0.0 111.573 173.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -63.15 -53.97 44.99 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.98 0.912 . . . . 0.0 112.641 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . 0.412 HG11 ' NB ' ' D' ' 201' ' ' HEC . 18.0 m -57.66 -44.94 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 119.429 1.013 . . . . 0.0 111.089 177.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . 0.405 ' HA ' ' CD2' ' D' ' 71' ' ' PHE . 3.3 tt -71.89 -35.68 69.81 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.468 -0.77 . . . . 0.0 112.301 -177.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.58 -42.1 93.92 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.465 1.031 . . . . 0.0 112.294 170.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.35 -37.28 84.96 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 117.845 0.823 . . . . 0.0 113.109 171.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . 0.405 ' CD2' ' HA ' ' D' ' 68' ' ' LEU . 4.3 m-30 -60.62 -35.43 76.13 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.634 -1.291 . . . . 0.0 111.494 170.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -41.53 87.46 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.532 1.133 . . . . 0.0 113.169 171.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -57.39 -32.54 66.92 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.445 1.021 . . . . 0.0 111.911 170.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.23 -63.59 4.77 Favored Glycine 0 C--N 1.34 0.783 0 C-N-CA 123.807 0.717 . . . . 0.0 111.649 166.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 18.3 mt -51.65 -35.17 41.19 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -178.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.43 -28.42 61.97 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 176.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.92 49.26 1.48 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.148 1.779 . . . . 0.0 111.442 -169.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.27 -21.57 62.08 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.814 -1.179 . . . . 0.0 113.949 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.07 -19.79 65.49 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 174.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -97.79 -65.82 0.94 Allowed 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 118.976 0.807 . . . . 0.0 112.716 -175.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 46.16 18.01 0.05 OUTLIER 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -173.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -138.14 -66.14 0.5 Allowed 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.176 1.391 . . . . 0.0 111.327 176.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.15 -35.07 75.73 Favored Glycine 0 N--CA 1.48 1.625 0 CA-C-N 118.943 0.792 . . . . 0.0 113.98 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.2 p -68.0 -13.73 62.41 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.114 1.766 . . . . 0.0 114.938 173.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -128.87 -4.26 5.15 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.399 1.48 . . . . 0.0 113.972 -174.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.95 -40.83 70.38 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 120.232 1.378 . . . . 0.0 113.406 -173.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 25.2 p -64.59 -36.77 85.32 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.75 1.22 . . . . 0.0 112.885 173.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 72.4 mt -77.23 -36.97 54.2 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.121 0.968 . . . . 0.0 112.02 177.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 4.3 t -61.4 -44.57 96.91 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.464 1.106 . . . . 0.0 110.336 171.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.71 -49.24 78.5 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.212 -0.93 . . . . 0.0 112.463 170.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 48.0 tp -55.84 -53.94 50.63 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.382 0.992 . . . . 0.0 112.002 177.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -82.51 -19.95 37.71 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -171.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 49.1 t -90.64 -64.59 1.11 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.712 0.805 . . . . 0.0 112.107 169.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -75.94 -40.39 54.18 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.609 -1.307 . . . . 0.0 113.299 -169.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.5 -41.4 21.78 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 56.2 mt -114.68 -24.22 8.85 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -171.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 34.09 46.97 0.17 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.852 2.461 . . . . 0.0 114.863 -169.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.43 150.2 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 120.947 -1.096 . . . . 0.0 110.692 -178.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -64.5 141.32 98.2 Favored Pre-proline 0 CA--C 1.55 0.979 0 O-C-N 121.426 -0.796 . . . . 0.0 112.749 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.54 -28.95 44.94 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.676 2.25 . . . . 0.0 114.1 -171.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -67.33 -27.54 67.23 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.898 -1.126 . . . . 0.0 112.62 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -55.35 -50.06 70.64 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.133 1.373 . . . . 0.0 112.535 173.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -59.2 -46.53 88.19 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.724 1.209 . . . . 0.0 111.35 177.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -60.18 -45.37 93.35 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.76 0.824 . . . . 0.0 111.611 176.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 6.1 mp -61.0 -46.36 91.07 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 118.442 -0.79 . . . . 0.0 112.072 175.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.87 -41.21 77.58 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.779 1.172 . . . . 0.0 109.908 176.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.06 -56.73 23.47 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 114.908 0.723 . . . . 0.0 114.908 173.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.59 -40.03 90.23 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 118.161 0.98 . . . . 0.0 111.119 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 98.2 t -67.06 -36.33 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 O-C-N 121.123 -0.986 . . . . 0.0 111.654 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 14.1 tp -54.49 -54.71 37.4 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.754 1.161 . . . . 0.0 110.559 174.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 33.1 m -61.07 -29.36 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-N 118.821 0.737 . . . . 0.0 112.823 178.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 83.1 m -71.36 -46.73 59.72 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 174.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 12.7 p -65.46 -36.83 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 119.841 1.201 . . . . 0.0 111.563 174.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 66.5 mt -58.44 -47.77 82.89 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.641 1.11 . . . . 0.0 110.743 171.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.11 -35.07 77.59 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 175.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 116' ' ' HIS . . . . . 0.418 ' CE1' ' HA ' ' C' ' 115' ' ' ALA . 11.0 t60 -65.46 -59.01 4.45 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.7 1.136 . . . . 0.0 111.984 169.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -65.41 -22.04 66.73 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -168.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -131.37 43.39 3.08 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.195 1.798 . . . . 0.0 111.134 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.06 -32.51 35.29 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.06 1.314 . . . . 0.0 116.264 -177.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -71.47 -8.84 56.47 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 118.823 1.312 . . . . 0.0 114.39 173.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -130.39 5.14 4.77 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.137 1.775 . . . . 0.0 113.22 -170.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.42 33.51 0.05 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 -168.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 123' ' ' THR . . . . . 0.566 ' HG1' ' H ' ' D' ' 126' ' ' VAL . 17.2 p -44.07 148.74 0.76 Allowed Pre-proline 0 N--CA 1.484 1.237 0 C-N-CA 124.998 1.319 . . . . 0.0 114.042 -167.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -45.81 -48.06 12.96 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 121.933 1.755 . . . . 0.0 114.459 174.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.19 -29.66 55.54 Favored 'Trans proline' 0 C--N 1.353 0.789 0 CA-C-O 116.948 -1.355 . . . . 0.0 113.913 174.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 126' ' ' VAL . . . . . 0.566 ' H ' ' HG1' ' D' ' 123' ' ' THR . 0.3 OUTLIER -63.74 -40.24 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 122.542 2.428 . . . . 0.0 112.493 177.735 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -60.76 -54.17 48.5 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.011 0.525 . . . . 0.0 110.026 172.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.06 -37.13 83.82 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 113.321 0.859 . . . . 0.0 113.321 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.23 -52.78 52.37 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.537 1.135 . . . . 0.0 111.553 -178.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -56.78 -47.28 80.51 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.85 -0.531 . . . . 0.0 111.058 169.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -56.66 -40.35 75.32 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.889 0.768 . . . . 0.0 112.764 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -71.06 -33.76 70.57 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.009 1.277 . . . . 0.0 113.699 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.15 -51.0 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-N 119.745 1.157 . . . . 0.0 109.787 168.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 11.7 t -61.93 -43.51 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 C-N-CA 125.834 1.653 . . . . 0.0 112.832 -176.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.0 97.97 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.389 0.995 . . . . 0.0 111.657 175.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.24 -44.76 89.16 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 123.426 0.536 . . . . 0.0 112.562 168.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.63 -44.3 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.732 1.213 . . . . 0.0 113.303 175.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.7 94.07 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.061 0.846 . . . . 0.0 110.696 176.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -61.52 -39.93 92.81 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.169 0.588 . . . . 0.0 112.243 175.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.57 -45.25 91.32 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.163 0.985 . . . . 0.0 112.579 173.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.81 -24.39 63.47 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.625 -1.297 . . . . 0.0 112.374 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.49 -11.87 59.95 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 167.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -57.07 -43.72 82.37 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.036 -1.665 . . . . 0.0 113.42 -173.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -65.38 -7.75 15.25 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.043 1.498 . . . . 0.0 115.043 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -67.7 -18.05 64.78 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.365 1.439 . . . . 0.0 112.287 175.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 34.0 m80 . . . . . 0 C--O 1.251 1.175 0 C-N-CA 125.411 1.485 . . . . 0.0 112.951 -162.494 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 201' ' ' HEC . . . . . 0.415 ' C1B' HG11 ' B' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 201' ' ' HEC . . . . . 0.412 ' NB ' HG11 ' D' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.519 2.979 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.2 mt -148.47 -167.28 2.77 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 126.37 1.868 . . . . 0.0 110.999 -170.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.36 152.35 64.24 Favored Pre-proline 0 N--CA 1.487 1.386 0 CA-C-N 119.992 1.269 . . . . 0.0 112.966 -175.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -67.6 -50.34 0.94 Allowed 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.399 2.733 . . . . 0.0 112.748 -174.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.38 87.27 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 122.734 0.414 . . . . 0.0 111.222 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -53.57 55.91 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 124.304 1.042 . . . . 0.0 113.17 178.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -55.29 -46.58 76.19 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.376 173.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.9 m -56.02 -45.19 79.21 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.981 1.264 . . . . 0.0 112.718 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -62.78 -42.23 99.6 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.242 -0.912 . . . . 0.0 112.248 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.6 t -73.71 -37.99 50.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-O 118.498 -0.763 . . . . 0.0 111.458 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -56.08 -48.09 76.75 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.518 1.054 . . . . 0.0 110.948 167.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.76 -51.96 67.52 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.119 0.568 . . . . 0.0 111.793 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.18 -54.1 47.59 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.547 0.739 . . . . 0.0 111.702 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -62.35 -26.97 68.74 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.71 -42.67 97.1 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.792 1.187 . . . . 0.0 113.421 170.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -70.22 -37.03 74.93 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 118.547 1.173 . . . . 0.0 111.034 173.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.36 -50.71 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.862 1.265 . . . . 0.0 111.234 175.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.71 -134.01 11.32 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 123.977 0.799 . . . . 0.0 114.047 176.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.68 -22.29 56.75 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -70.88 -8.88 55.98 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.96 -49.74 20.17 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.177 0.899 . . . . 0.0 112.552 177.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.98 -38.45 95.49 Favored Glycine 0 C--N 1.339 0.731 0 CA-C-O 119.125 -0.819 . . . . 0.0 113.892 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -66.25 -42.94 87.87 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.492 1.146 . . . . 0.0 111.074 174.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -62.92 -37.13 85.74 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.204 -0.935 . . . . 0.0 112.056 174.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.93 -46.87 92.67 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-N 118.851 0.751 . . . . 0.0 112.656 170.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.2 -45.8 86.74 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.354 1.077 . . . . 0.0 112.227 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -60.11 -41.72 93.19 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.861 0.864 . . . . 0.0 111.283 172.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.457 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -63.68 -40.91 98.0 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 178.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.42 -52.14 64.72 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.131 0.972 . . . . 0.0 111.442 171.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -60.05 -42.27 94.11 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.095 0.862 . . . . 0.0 112.946 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -59.76 -45.0 93.59 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 118.557 -0.735 . . . . 0.0 111.064 172.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.3 tmm? -59.56 -47.74 84.38 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.46 1.027 . . . . 0.0 111.709 175.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -58.44 -41.35 84.88 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.44 -36.47 29.36 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 118.832 0.742 . . . . 0.0 112.311 178.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 t -71.2 -33.92 70.38 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.758 0.823 . . . . 0.0 112.77 -175.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -128.12 85.83 59.56 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.801 1.64 . . . . 0.0 108.769 176.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.46 -18.73 5.96 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 123.742 2.961 . . . . 0.0 114.675 173.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.56 -21.41 2.5 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.236 2.214 . . . . 0.0 115.124 165.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.6 p -86.34 -20.49 28.24 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.864 1.211 . . . . 0.0 113.228 174.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -54.05 -38.35 65.14 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.427 1.091 . . . . 0.0 113.154 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 t -53.54 -30.64 42.79 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 178.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -58.45 -32.44 68.72 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 118.069 -0.967 . . . . 0.0 113.091 176.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.5 t80 11.25 67.99 0.09 OUTLIER Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 129.201 3.0 . . . . 0.0 114.984 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -80.88 38.2 0.74 Allowed 'Trans proline' 0 CA--C 1.548 1.183 0 C-N-CA 123.589 2.859 . . . . 0.0 113.774 -158.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.296 0.7 OUTLIER 92.57 8.04 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.414 1 C-N-CA 131.815 4.046 . . . . 0.0 113.672 -170.311 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -71.52 -177.7 1.93 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.051 1.74 . . . . 0.0 114.584 -175.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -130.03 -41.95 1.26 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.14 0.976 . . . . 0.0 113.585 -173.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.4 mt 54.58 17.56 1.7 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 126.851 2.06 . . . . 0.0 116.089 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.7 m -72.73 21.29 0.07 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 126.671 1.989 . . . . 0.0 115.804 -176.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 63.39 142.16 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.804 2.442 . . . . 0.0 112.91 -164.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.15 20.99 73.54 Favored Glycine 0 CA--C 1.54 1.61 0 O-C-N 121.08 -1.012 . . . . 0.0 115.112 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.5 t -62.91 114.5 3.69 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 118.506 1.153 . . . . 0.0 113.248 -176.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.3 -33.86 63.64 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.655 1.182 . . . . 0.0 112.746 171.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -67.41 -41.18 85.32 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.31 1.044 . . . . 0.0 111.314 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.19 -38.0 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.682 -0.636 . . . . 0.0 111.462 172.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -62.19 -48.48 79.87 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 119.311 0.959 . . . . 0.0 111.174 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.17 -44.3 98.31 Favored Glycine 0 N--CA 1.472 1.053 0 C-N-CA 124.281 0.943 . . . . 0.0 113.121 177.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -61.0 -42.77 99.08 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.502 -0.999 . . . . 0.0 111.782 173.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.405 ' O ' ' HB1' ' A' ' 63' ' ' ALA . . . -58.36 -48.53 83.28 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 124.197 0.903 . . . . 0.0 113.204 172.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -55.25 -40.88 71.45 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.239 1.015 . . . . 0.0 112.164 172.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -65.24 -51.4 61.13 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 173.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.7 t -55.65 -43.21 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-N 120.372 1.442 . . . . 0.0 111.046 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' A' ' 59' ' ' GLY . . . -63.52 -51.0 67.37 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 176.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -61.84 -29.93 70.51 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.489 -0.757 . . . . 0.0 112.046 176.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.89 -36.04 81.39 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.133 -0.979 . . . . 0.0 113.226 168.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.57 -39.16 88.34 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.354 0.979 . . . . 0.0 111.696 168.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.1 m -58.72 -48.72 80.18 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.915 1.234 . . . . 0.0 111.725 169.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -61.1 -37.99 84.71 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.9 1.68 . . . . 0.0 112.919 175.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.01 -61.0 2.87 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.147 0.885 . . . . 0.0 110.129 165.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.0 t -51.47 -37.42 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.067 1.347 . . . . 0.0 113.095 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.99 -26.59 65.1 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -134.94 15.95 3.55 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.817 1.247 . . . . 0.0 113.346 -169.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.5 p -60.24 -30.1 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.056 1.342 . . . . 0.0 114.488 -165.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -61.07 -16.31 42.4 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.755 1.222 . . . . 0.0 113.737 172.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -136.94 28.13 2.9 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 128.317 2.647 . . . . 0.0 110.947 -176.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.5 ttp -50.94 -36.41 24.65 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 116.717 2.118 . . . . 0.0 116.717 -173.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -64.39 36.42 0.1 Allowed 'Trans proline' 0 CA--C 1.557 1.655 0 C-N-CA 124.918 3.745 . . . . 0.0 116.56 170.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -145.75 -40.96 0.22 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.305 2.242 . . . . 0.0 110.543 162.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.69 -29.2 69.93 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.9 mt -100.12 0.67 41.12 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -55.73 -41.2 73.53 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -171.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.5 -28.48 67.08 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.146 0.885 . . . . 0.0 113.243 175.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.7 mt -83.95 -42.31 16.41 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.603 1.161 . . . . 0.0 110.288 -178.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.7 m -55.16 -40.29 70.49 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 122.717 0.407 . . . . 0.0 111.284 166.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -51.41 70.18 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.041 0.936 . . . . 0.0 111.627 174.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.441 ' HG ' ' HD1' ' A' ' 87' ' ' HIS . 0.2 OUTLIER -58.74 -45.19 90.23 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.201 -0.937 . . . . 0.0 111.261 175.799 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.441 ' HD1' ' HG ' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -62.19 -26.53 68.4 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.199 1.0 . . . . 0.0 113.237 -179.405 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.81 -17.45 16.21 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.979 1.312 . . . . 0.0 114.502 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -131.0 -35.25 1.41 Allowed 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.278 1.585 . . . . 0.0 115.278 -171.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -65.23 -46.29 81.21 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 120.473 1.488 . . . . 0.0 109.821 173.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.98 -132.9 0.05 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.491 2.317 . . . . 0.0 108.189 172.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.84 54.88 0.83 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.402 1.081 . . . . 0.0 113.477 -166.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 76.4 t -52.42 103.09 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 124.146 0.978 . . . . 0.0 112.474 -172.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.01 134.15 89.79 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 123.515 0.726 . . . . 0.0 112.216 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -48.43 -33.1 22.04 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 125.165 3.91 . . . . 0.0 116.585 -176.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.2 p -47.04 -39.36 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.02 0.928 . . . . 0.0 113.049 173.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -73.53 -28.69 62.02 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.34 -0.85 . . . . 0.0 112.181 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -60.95 -48.77 80.3 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 119.062 0.846 . . . . 0.0 109.712 167.266 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -55.23 -45.92 75.97 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.707 0.685 . . . . 0.0 110.581 -177.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 64.2 mt -58.45 -62.97 1.45 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.7 1.2 . . . . 0.0 110.904 173.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.8 tp -52.11 -46.01 65.14 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.687 0.795 . . . . 0.0 112.776 -178.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.1 t -56.3 -51.25 68.89 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.522 1.129 . . . . 0.0 111.8 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -60.24 -45.65 92.5 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.887 -0.508 . . . . 0.0 111.21 175.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.457 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 59.6 m -59.07 -40.57 85.6 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.741 -0.6 . . . . 0.0 112.324 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 64.6 mt -64.38 -46.06 85.0 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.872 0.869 . . . . 0.0 111.478 175.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.2 mt -55.95 -45.04 78.97 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.475 -0.766 . . . . 0.0 111.194 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 20.1 t -59.69 -46.6 93.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 124.583 1.153 . . . . 0.0 112.573 176.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.5 p -66.64 -42.76 86.23 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.728 1.149 . . . . 0.0 111.787 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.04 -45.48 90.64 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.47 1.032 . . . . 0.0 110.787 175.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.23 -27.61 55.5 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.82 -12.03 60.01 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -128.34 -17.48 4.22 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -170.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -111.94 130.66 23.0 Favored Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 124.308 1.043 . . . . 0.0 109.427 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -47.47 -47.55 17.54 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 124.795 3.663 . . . . 0.0 117.632 -158.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' A' ' 117' ' ' PHE . . . -134.28 18.31 3.7 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 124.288 1.035 . . . . 0.0 112.164 -178.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -16.69 5.69 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 117.11 2.263 . . . . 0.0 117.11 -155.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.451 ' CE2' ' CG ' ' B' ' 116' ' ' HIS . 26.7 p90 -66.35 11.96 0.08 Allowed 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 126.514 1.926 . . . . 0.0 113.349 162.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -54.93 162.67 1.76 Allowed Pre-proline 0 N--CA 1.48 1.055 0 C-N-CA 126.189 1.796 . . . . 0.0 112.549 -176.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -52.22 -50.25 14.63 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.646 2.231 . . . . 0.0 113.315 172.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -67.56 -60.28 2.68 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.61 -35.13 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 120.677 -1.264 . . . . 0.0 112.827 -167.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -79.14 -45.3 20.26 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.876 1.216 . . . . 0.0 113.544 176.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.94 -48.45 73.14 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 120.291 1.405 . . . . 0.0 110.199 173.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.1 m -59.93 -57.0 14.78 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.576 1.151 . . . . 0.0 111.652 177.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 28.0 mt -58.31 -42.36 86.52 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 121.471 1.942 . . . . 0.0 113.534 177.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -60.06 -52.46 65.27 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.916 1.235 . . . . 0.0 111.67 177.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -27.75 63.64 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -68.12 -49.57 60.27 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.116 1.366 . . . . 0.0 110.642 172.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -59.79 -39.33 84.59 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.012 0.824 . . . . 0.0 111.196 172.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.57 -33.8 75.69 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 171.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 36.8 t -71.43 -45.12 63.5 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.539 -1.35 . . . . 0.0 112.27 170.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.7 t -51.98 -54.98 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 123.879 0.872 . . . . 0.0 109.436 173.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 96.1 p -64.09 -42.64 96.87 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 119.264 0.938 . . . . 0.0 113.151 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.5 m -49.82 -47.78 51.23 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.462 1.028 . . . . 0.0 110.923 171.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 90.3 t -71.21 -44.47 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 O-C-N 121.173 -0.954 . . . . 0.0 111.206 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -16.48 64.02 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.4 t -101.2 -17.27 16.7 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.29 1.436 . . . . 0.0 112.4 172.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.6 t -66.41 163.62 17.95 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.143 0.977 . . . . 0.0 112.108 166.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -152.22 123.96 7.92 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.671 1.588 . . . . 0.0 110.911 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -111.26 -44.35 3.57 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.017 1.327 . . . . 0.0 112.781 -175.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.252 1.217 0 C-N-CA 125.307 1.443 . . . . 0.0 112.603 -176.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.34 2.2 p . . . . . 0 N--CA 1.515 2.808 0 CA-C-O 116.859 -1.543 . . . . 0.0 113.206 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 5.1 m170 40.08 77.73 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 120.493 1.497 . . . . 0.0 113.69 -173.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.0 mt -58.41 114.51 2.47 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.156 -0.965 . . . . 0.0 109.709 170.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.63 134.26 82.46 Favored Pre-proline 0 N--CA 1.471 0.583 0 C-N-CA 126.189 1.796 . . . . 0.0 109.042 174.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -49.43 -42.73 40.71 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.068 2.512 . . . . 0.0 116.386 -168.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.77 -40.56 88.25 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.546 -0.721 . . . . 0.0 111.923 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.41 -44.72 82.19 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.022 0.929 . . . . 0.0 111.51 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -43.19 82.88 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.855 1.207 . . . . 0.0 111.593 171.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t -57.67 -45.97 84.88 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.491 1.042 . . . . 0.0 110.745 173.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.91 -59.47 5.19 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 121.619 -0.676 . . . . 0.0 112.731 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' B' ' 130' ' ' TYR . 2.6 p -63.63 -46.32 95.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 CA-C-N 119.751 1.16 . . . . 0.0 112.537 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -75.48 -31.83 60.37 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.246 0.93 . . . . 0.0 112.044 -172.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.67 -36.99 83.85 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 120.634 1.561 . . . . 0.0 111.987 171.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -32.71 70.57 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.57 -0.706 . . . . 0.0 111.616 173.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -60.75 -43.99 97.27 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.468 -0.77 . . . . 0.0 112.134 165.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.37 -32.05 57.35 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.758 1.647 . . . . 0.0 115.35 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -95.55 -13.01 24.8 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 174.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.453 HG22 HG13 ' B' ' 23' ' ' VAL . 0.5 OUTLIER -61.95 132.25 27.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.563 1.145 . . . . 0.0 111.525 -175.332 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -82.87 91.74 7.15 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.668 0.787 . . . . 0.0 109.178 172.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 90.5 t -54.76 -36.87 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 CA-C-N 119.408 1.004 . . . . 0.0 113.57 -171.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -63.41 -54.59 34.23 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.873 0.761 . . . . 0.0 112.82 172.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.79 -55.97 5.93 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 119.337 -0.364 . . . . 0.0 110.183 -175.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.453 HG13 HG22 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -60.29 -27.43 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 119.183 0.901 . . . . 0.0 112.834 179.157 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.92 -46.68 13.1 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-N 119.012 0.824 . . . . 0.0 112.248 175.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.0 -41.23 99.94 Favored Glycine 0 N--CA 1.469 0.872 0 CA-C-N 118.297 1.048 . . . . 0.0 112.759 171.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -54.48 -65.77 0.52 Allowed 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 125.052 1.341 . . . . 0.0 109.645 167.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.51 -52.06 63.15 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 121.037 1.744 . . . . 0.0 113.474 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 tp -70.95 -39.81 72.36 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.445 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.0 -43.35 99.29 Favored Glycine 0 N--CA 1.468 0.773 0 CA-C-N 119.777 1.171 . . . . 0.0 111.728 171.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.423 ' HA ' HG22 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -50.9 -40.67 57.34 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.583 1.553 . . . . 0.0 111.41 177.772 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' B' ' 106' ' ' LEU . 26.0 tp -49.79 -40.74 42.54 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.713 0.805 . . . . 0.0 111.873 176.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.421 HD23 ' CD2' ' B' ' 42' ' ' PHE . 0.3 OUTLIER -88.77 -29.8 19.51 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 122.014 -0.429 . . . . 0.0 110.797 -176.636 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.423 HG22 ' HA ' ' B' ' 30' ' ' ARG . 1.4 m -67.44 -18.25 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 177.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.8 2.42 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 119.656 1.116 . . . . 0.0 113.413 168.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.61 39.25 0.6 Allowed Pre-proline 0 CA--C 1.563 1.463 0 C-N-CA 126.249 1.819 . . . . 0.0 114.777 -173.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -83.75 158.43 14.05 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.235 1.957 . . . . 0.0 111.736 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 33.1 p90 -48.42 -36.12 14.18 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.01 0.924 . . . . 0.0 113.125 172.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 2.4 m -49.74 -30.87 10.2 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.888 1.675 . . . . 0.0 114.215 177.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -58.55 -28.26 65.32 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -30.18 69.95 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.535 0.734 . . . . 0.0 112.412 -177.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -87.53 -4.5 58.98 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 176.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.421 ' CD2' HD23 ' B' ' 32' ' ' LEU . 11.7 m-85 -89.72 8.7 30.33 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.884 0.874 . . . . 0.0 112.896 175.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -53.76 -31.69 49.55 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.428 -1.42 . . . . 0.0 113.347 170.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 46.9 p -59.35 -22.63 61.61 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.94 1.296 . . . . 0.0 114.33 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -79.5 -11.41 59.9 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.973 1.309 . . . . 0.0 112.991 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.52 -173.58 11.8 Favored Glycine 0 CA--C 1.537 1.419 0 CA-C-N 119.219 0.918 . . . . 0.0 113.515 -170.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 45.68 -124.29 1.2 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.463 1.105 . . . . 0.0 111.073 -170.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 tt 64.74 -22.03 0.08 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 127.407 2.283 . . . . 0.0 116.172 172.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -50.75 -29.74 12.22 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 127.663 2.385 . . . . 0.0 113.729 173.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' THR . . . . . 0.572 ' HG1' ' H ' ' B' ' 53' ' ' ALA . 11.0 p -127.66 155.0 77.79 Favored Pre-proline 0 N--CA 1.473 0.675 0 C-N-CA 124.408 1.083 . . . . 0.0 109.513 161.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -70.3 -33.16 15.04 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.125 1.216 . . . . 0.0 113.413 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -58.74 -38.87 79.34 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.955 0.798 . . . . 0.0 110.612 172.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.572 ' H ' ' HG1' ' B' ' 50' ' ' THR . . . -64.65 -43.94 92.02 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 118.317 -0.849 . . . . 0.0 112.127 171.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -34.27 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 CA-C-N 121.218 1.826 . . . . 0.0 113.213 177.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 2.0 ttm -74.46 -34.71 63.23 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.859 0.864 . . . . 0.0 113.112 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.4 -31.76 36.61 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 123.757 0.694 . . . . 0.0 114.301 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -49.67 116.4 6.03 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 126.106 1.763 . . . . 0.0 113.606 -171.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -62.53 -26.86 76.35 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.741 2.294 . . . . 0.0 113.292 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -65.76 -43.24 89.47 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.506 1.048 . . . . 0.0 112.165 174.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 26.5 t -69.97 -35.26 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 O-C-N 121.487 -0.758 . . . . 0.0 111.392 174.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -63.04 -51.9 64.92 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 119.793 1.179 . . . . 0.0 112.217 171.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.39 -46.66 88.06 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.299 1.04 . . . . 0.0 112.604 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -68.05 -35.39 78.16 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.936 -1.103 . . . . 0.0 112.425 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.73 -46.21 83.26 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.907 1.241 . . . . 0.0 112.819 169.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.86 -42.25 79.43 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.268 1.034 . . . . 0.0 111.845 169.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -66.08 -49.64 66.89 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.17 0.895 . . . . 0.0 113.258 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 4.6 m -62.66 -39.84 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 120.047 1.294 . . . . 0.0 111.718 175.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 tt -71.19 -36.67 72.03 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 120.715 -1.241 . . . . 0.0 112.213 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.78 -35.72 76.02 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.616 1.103 . . . . 0.0 113.049 168.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.41 -45.67 75.45 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.268 -1.136 . . . . 0.0 112.453 168.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -57.88 -37.79 74.6 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 120.398 -1.439 . . . . 0.0 112.915 172.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 38.4 p -73.25 -36.73 66.45 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.474 1.034 . . . . 0.0 113.435 176.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -55.46 -35.58 65.65 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.361 0.982 . . . . 0.0 111.239 165.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.12 -63.64 5.11 Favored Glycine 0 C--N 1.34 0.802 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 167.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mt -54.01 -21.24 7.77 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 177.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.5 -20.87 22.2 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.719 1.608 . . . . 0.0 114.889 175.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -139.71 41.96 2.0 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.342 1.457 . . . . 0.0 113.257 -171.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.92 -11.52 28.82 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 177.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -4.88 42.76 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.93 0.892 . . . . 0.0 113.31 171.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.38 -63.41 1.39 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -171.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 51.03 -13.46 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 128.51 2.724 . . . . 0.0 118.266 -171.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -119.62 -57.54 1.97 Allowed 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 120.731 1.605 . . . . 0.0 111.153 -178.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.23 -39.41 94.54 Favored Glycine 0 CA--C 1.537 1.458 0 CA-C-N 118.811 0.732 . . . . 0.0 114.061 176.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 3.2 t -71.85 -18.89 62.04 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -121.48 5.76 10.12 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.49 1.292 . . . . 0.0 114.49 -175.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.02 -39.8 69.51 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 120.803 1.638 . . . . 0.0 113.409 -173.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 17.0 p -63.81 -44.07 94.38 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.813 1.245 . . . . 0.0 112.654 173.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 20.9 mt -68.25 -39.45 82.25 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.584 -0.697 . . . . 0.0 111.896 175.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -63.44 -38.52 91.45 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.249 1.02 . . . . 0.0 111.682 175.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -64.9 -49.82 68.98 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.162 -0.962 . . . . 0.0 112.047 170.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 12.4 tp -50.64 -54.69 20.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.094 0.958 . . . . 0.0 111.363 173.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -74.62 10.95 1.14 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.79 1.236 . . . . 0.0 114.209 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 41.9 t -130.55 -58.64 1.04 Allowed 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.951 -1.093 . . . . 0.0 111.715 174.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.64 -40.01 70.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.172 0.989 . . . . 0.0 113.005 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -41.55 15.97 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.39 0.676 . . . . 0.0 112.36 178.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.93 82.07 1.44 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.633 1.573 . . . . 0.0 111.551 -176.03 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -66.09 28.81 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 126.946 2.098 . . . . 0.0 115.127 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 76.2 t -51.41 145.29 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 128.044 2.537 . . . . 0.0 112.377 -173.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -56.88 131.94 79.31 Favored Pre-proline 0 CA--C 1.553 1.059 0 O-C-N 121.469 -0.769 . . . . 0.0 112.914 -178.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -49.73 -30.03 21.54 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 124.018 3.145 . . . . 0.0 115.558 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -42.64 -46.4 4.99 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.399 1.479 . . . . 0.0 113.976 169.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -65.19 -31.71 73.03 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.27 -0.894 . . . . 0.0 112.77 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -67.1 -45.77 76.23 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.936 0.895 . . . . 0.0 110.117 176.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -63.05 -38.31 90.66 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 119.365 -0.35 . . . . 0.0 111.696 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 13.7 mt -60.47 -48.49 81.51 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.071 0.949 . . . . 0.0 112.755 172.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . 0.432 ' HA ' HD12 ' B' ' 31' ' ' LEU . 1.4 tt -56.99 -42.36 80.12 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 118.773 0.715 . . . . 0.0 110.952 174.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.35 -63.73 5.02 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 124.475 1.035 . . . . 0.0 114.04 172.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -44.71 -49.31 10.56 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.159 1.783 . . . . 0.0 110.792 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 36.9 t -59.74 -52.36 61.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 123.636 0.774 . . . . 0.0 112.223 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 58.7 tp -56.33 -51.9 66.55 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.724 1.147 . . . . 0.0 110.946 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.4 m -62.69 -31.78 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.915 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 21.9 t -65.82 -42.82 90.13 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.218 0.463 . . . . 0.0 111.88 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . 0.262 1.7 m -68.95 -37.32 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 120.678 -1.264 . . . . 0.0 112.614 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.78 -36.46 83.96 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.53 -0.731 . . . . 0.0 110.943 172.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.08 69.55 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 172.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . 0.451 ' CG ' ' CE2' ' A' ' 117' ' ' PHE . 0.9 OUTLIER -77.74 -50.0 13.28 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.649 1.113 . . . . 0.0 112.216 172.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.96 -19.24 61.92 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -167.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -128.93 41.27 3.51 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.231 1.813 . . . . 0.0 110.04 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -54.61 -22.86 26.45 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 126.022 1.772 . . . . 0.0 116.114 -177.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -79.63 -8.73 59.38 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.849 1.324 . . . . 0.0 113.744 173.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -128.73 3.94 5.48 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 127.484 2.314 . . . . 0.0 112.586 -172.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.11 27.03 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 127.081 2.152 . . . . 0.0 116.125 -171.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 29.1 p -46.31 144.34 3.27 Favored Pre-proline 0 N--CA 1.48 1.065 0 O-C-N 120.566 -1.334 . . . . 0.0 113.562 -165.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -40.47 -45.96 4.46 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 C-N-CA 123.402 2.734 . . . . 0.0 116.102 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.69 -27.23 27.07 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.696 1.597 . . . . 0.0 115.057 173.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -44.75 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 121.998 2.181 . . . . 0.0 111.85 174.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -73.73 -28.25 61.61 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 118.215 -0.898 . . . . 0.0 112.41 175.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.37 -48.31 67.81 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.853 1.66 . . . . 0.0 111.769 170.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.56 81.15 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 124.944 1.297 . . . . 0.0 111.369 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.491 ' CE2' HG21 ' B' ' 11' ' ' VAL . 1.0 OUTLIER -54.52 -51.47 65.06 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 118.571 -0.728 . . . . 0.0 111.535 170.785 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.13 -36.15 74.71 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.745 1.157 . . . . 0.0 112.975 178.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -66.83 -44.01 82.24 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.764 1.166 . . . . 0.0 112.833 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.82 -39.83 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.133 -0.98 . . . . 0.0 112.416 172.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 19.9 t -60.75 -42.25 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.665 1.186 . . . . 0.0 112.058 176.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.04 96.42 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.616 1.166 . . . . 0.0 111.806 174.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -54.52 -49.85 59.28 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.733 -0.482 . . . . 0.0 112.148 169.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 3.7 t -58.28 -47.87 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 117.946 0.873 . . . . 0.0 112.191 172.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.82 -47.67 79.75 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 120.28 1.4 . . . . 0.0 111.908 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -66.52 -35.95 81.51 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.744 -0.597 . . . . 0.0 112.259 176.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.5 79.44 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.015 -1.053 . . . . 0.0 112.561 173.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.17 -27.99 66.89 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.119 -0.988 . . . . 0.0 111.812 177.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . 0.487 ' HA ' ' CE1' ' B' ' 145' ' ' TYR . . . -77.56 -6.7 54.59 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.83 1.418 . . . . 0.0 114.83 168.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -62.7 -42.24 99.53 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 119.706 -1.871 . . . . 0.0 113.041 -167.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.6 -9.43 3.82 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.404 1.481 . . . . 0.0 114.872 176.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 145' ' ' TYR . . . . . 0.487 ' CE1' ' HA ' ' B' ' 142' ' ' ALA . 1.7 m-30 -70.95 -27.09 63.49 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.456 1.025 . . . . 0.0 111.639 -177.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 60.5 m80 . . . . . 0 C--O 1.254 1.312 0 C-N-CA 126.123 1.769 . . . . 0.0 112.915 177.797 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.518 2.934 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 21.8 mt -148.52 -167.24 2.76 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 126.287 1.835 . . . . 0.0 110.929 -170.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.3 152.41 64.12 Favored Pre-proline 0 N--CA 1.486 1.359 0 CA-C-N 119.989 1.268 . . . . 0.0 113.014 -175.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -67.68 -50.17 0.96 Allowed 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.229 2.619 . . . . 0.0 112.806 -174.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.35 87.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 122.856 0.463 . . . . 0.0 111.11 175.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -53.69 54.5 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.268 1.027 . . . . 0.0 113.154 178.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -55.23 -46.58 75.98 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-O 118.137 -0.935 . . . . 0.0 111.392 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 54.2 m -56.03 -45.21 79.23 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.988 1.267 . . . . 0.0 112.638 175.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -62.8 -42.22 99.62 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.111 0.869 . . . . 0.0 112.204 177.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 81.7 t -73.75 -38.0 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 118.558 -0.734 . . . . 0.0 111.379 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -56.05 -48.18 76.51 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.48 1.036 . . . . 0.0 110.94 167.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.82 -51.92 67.68 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.188 0.595 . . . . 0.0 111.673 177.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.13 -54.12 47.29 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.493 0.717 . . . . 0.0 111.69 176.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -62.3 -26.96 68.71 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.89 -42.5 96.91 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.677 1.132 . . . . 0.0 113.464 170.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -70.41 -36.92 74.33 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 118.577 1.189 . . . . 0.0 111.012 173.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 53.6 t -57.35 -50.78 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 124.957 1.303 . . . . 0.0 111.179 175.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.75 -134.0 11.42 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 123.939 0.781 . . . . 0.0 114.054 176.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.71 -22.42 57.39 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -70.72 -8.71 54.16 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 175.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.08 -49.73 21.13 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.247 0.93 . . . . 0.0 112.581 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.86 -38.89 96.11 Favored Glycine 0 C--N 1.34 0.752 0 CA-C-O 119.226 -0.763 . . . . 0.0 113.9 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.83 -42.98 89.86 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.4 1.1 . . . . 0.0 111.09 174.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -63.06 -37.05 85.66 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.261 -0.899 . . . . 0.0 112.048 174.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.85 -46.82 92.81 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-N 118.877 0.762 . . . . 0.0 112.74 170.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.37 -45.72 86.5 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.173 0.986 . . . . 0.0 112.097 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -60.05 -41.72 92.91 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.851 0.86 . . . . 0.0 111.387 172.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . 0.448 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -63.91 -40.71 97.11 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 178.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 73.0 mt -62.53 -51.97 65.3 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.083 0.953 . . . . 0.0 111.488 170.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -60.31 -42.2 95.05 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.099 0.863 . . . . 0.0 112.844 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -59.73 -44.94 93.55 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 118.585 -0.722 . . . . 0.0 111.096 172.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 9.3 tmm? -59.78 -47.45 85.62 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.379 0.99 . . . . 0.0 111.662 175.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -58.77 -41.23 86.12 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.29 -36.44 29.84 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 118.808 0.731 . . . . 0.0 112.531 177.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 7.4 t -71.17 -33.85 70.39 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.808 0.843 . . . . 0.0 112.82 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -128.22 85.75 59.7 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.907 1.683 . . . . 0.0 108.75 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.54 -18.67 6.11 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.684 2.923 . . . . 0.0 114.653 173.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -21.36 2.23 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 127.377 2.271 . . . . 0.0 115.108 165.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 26.8 p -86.55 -20.61 27.72 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.959 1.254 . . . . 0.0 113.305 174.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -53.86 -38.42 64.68 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.41 1.084 . . . . 0.0 113.229 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 2.8 t -53.28 -30.95 41.4 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 178.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -58.28 -32.53 68.5 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 118.132 -0.937 . . . . 0.0 113.156 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 2.5 t80 11.25 67.98 0.09 OUTLIER Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 129.122 2.969 . . . . 0.0 115.072 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -80.83 38.08 0.73 Allowed 'Trans proline' 0 CA--C 1.548 1.213 0 C-N-CA 123.601 2.867 . . . . 0.0 113.794 -158.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.297 0.7 OUTLIER 92.68 7.97 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.38 1 C-N-CA 131.787 4.035 . . . . 0.0 113.715 -170.315 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -71.45 -177.66 1.89 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.963 1.705 . . . . 0.0 114.73 -175.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -130.05 -41.95 1.26 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.125 0.97 . . . . 0.0 113.51 -173.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 mt 54.48 17.56 1.65 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.943 2.097 . . . . 0.0 116.143 175.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 66.1 m -72.63 21.23 0.07 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 126.668 1.987 . . . . 0.0 115.748 -176.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 63.36 142.16 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 127.839 2.455 . . . . 0.0 112.897 -164.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.06 21.15 73.45 Favored Glycine 0 CA--C 1.541 1.715 0 O-C-N 121.026 -1.046 . . . . 0.0 115.18 -177.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 26.3 t -62.94 114.64 3.79 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.483 1.113 . . . . 0.0 113.205 -176.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.28 -34.04 63.75 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.663 1.185 . . . . 0.0 112.778 171.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -67.38 -41.13 85.52 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.215 1.006 . . . . 0.0 111.375 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 90.3 t -65.23 -37.91 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 O-C-N 121.567 -0.708 . . . . 0.0 111.402 172.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -62.16 -48.54 79.62 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 119.29 0.95 . . . . 0.0 111.225 176.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.09 -44.49 98.1 Favored Glycine 0 N--CA 1.472 1.097 0 C-N-CA 124.196 0.903 . . . . 0.0 113.121 177.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.81 -42.71 98.17 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.414 -1.051 . . . . 0.0 111.817 173.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.409 ' O ' ' HB1' ' C' ' 63' ' ' ALA . . . -58.42 -48.65 82.75 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 124.137 0.875 . . . . 0.0 113.19 172.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -55.11 -40.78 70.88 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.307 1.043 . . . . 0.0 112.245 172.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -65.34 -51.48 60.26 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 173.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 88.1 t -55.6 -43.24 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 CA-C-N 120.333 1.424 . . . . 0.0 110.983 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' C' ' 59' ' ' GLY . . . -63.53 -51.1 66.92 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 123.943 0.897 . . . . 0.0 113.323 176.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -61.68 -30.03 70.47 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.478 -0.764 . . . . 0.0 112.058 176.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.06 -36.01 81.1 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.27 -0.894 . . . . 0.0 113.235 169.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.37 -39.08 88.89 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.346 0.975 . . . . 0.0 111.847 168.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 78.9 m -58.62 -49.0 79.11 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.985 1.266 . . . . 0.0 111.674 169.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -60.83 -38.1 84.3 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.889 1.676 . . . . 0.0 113.037 175.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.13 -60.76 3.25 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 119.078 0.853 . . . . 0.0 110.181 165.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 53.3 t -51.5 -37.51 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.108 1.363 . . . . 0.0 113.013 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.01 -26.49 65.03 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 177.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -134.93 15.91 3.55 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.814 1.246 . . . . 0.0 113.46 -169.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 5.4 p -60.2 -30.14 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.958 1.303 . . . . 0.0 114.513 -165.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.98 -16.32 41.68 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.672 1.189 . . . . 0.0 113.766 172.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -137.0 28.2 2.88 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 128.338 2.655 . . . . 0.0 110.853 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 11.4 ttp -51.02 -36.48 25.64 Favored Pre-proline 0 CA--C 1.548 0.887 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 -173.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -64.31 35.75 0.1 OUTLIER 'Trans proline' 0 CA--C 1.558 1.706 0 C-N-CA 124.851 3.701 . . . . 0.0 116.641 170.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -145.0 -40.96 0.24 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.084 2.154 . . . . 0.0 110.559 162.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.71 -29.05 69.85 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -178.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 85.2 mt -100.07 0.5 40.91 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 67.4 m -55.64 -41.37 73.45 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -171.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.27 -28.59 66.88 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.143 0.883 . . . . 0.0 113.325 175.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 11.7 mt -83.81 -42.29 16.61 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.565 1.146 . . . . 0.0 110.336 -178.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 14.8 m -55.2 -40.32 70.62 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.812 0.445 . . . . 0.0 111.208 166.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.07 -51.38 70.31 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.0 0.92 . . . . 0.0 111.587 174.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . 0.429 ' HG ' ' HD1' ' C' ' 87' ' ' HIS . 0.2 OUTLIER -58.91 -44.94 91.36 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.196 -0.94 . . . . 0.0 111.225 175.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . 0.429 ' HD1' ' HG ' ' C' ' 86' ' ' LEU . 0.6 OUTLIER -62.26 -26.67 68.52 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.23 1.012 . . . . 0.0 113.172 -179.518 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.78 -17.39 16.26 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.978 1.311 . . . . 0.0 114.529 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -131.01 -35.34 1.4 Allowed 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -171.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -65.28 -46.3 81.01 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 120.52 1.509 . . . . 0.0 109.832 173.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.91 -132.83 0.05 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.497 2.319 . . . . 0.0 108.245 172.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.82 54.0 0.83 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.38 1.072 . . . . 0.0 113.56 -166.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 76.7 t -51.68 103.15 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 124.306 1.042 . . . . 0.0 112.614 -172.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.23 134.27 89.3 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 123.473 0.709 . . . . 0.0 112.152 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -48.53 -33.07 22.51 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 125.171 3.914 . . . . 0.0 116.648 -176.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 14.4 p -47.14 -39.25 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 119.178 0.899 . . . . 0.0 113.047 173.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -73.51 -28.74 62.06 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 121.311 -0.868 . . . . 0.0 112.091 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -60.96 -48.73 80.45 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.116 0.871 . . . . 0.0 109.768 167.316 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -55.35 -45.77 76.45 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 118.631 0.65 . . . . 0.0 110.576 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 64.6 mt -58.5 -62.93 1.49 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.676 1.19 . . . . 0.0 110.964 173.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 56.3 tp -52.06 -45.94 64.93 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.718 0.807 . . . . 0.0 112.789 -178.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 41.1 t -56.46 -51.38 68.67 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.622 1.169 . . . . 0.0 111.626 177.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -60.11 -45.68 92.16 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 122.061 -0.399 . . . . 0.0 111.269 175.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 104' ' ' CYS . . . . . 0.448 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 59.6 m -58.85 -40.9 85.64 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.69 -0.631 . . . . 0.0 112.306 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 64.8 mt -64.35 -45.89 85.82 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.875 0.87 . . . . 0.0 111.423 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.04 -44.99 79.32 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.545 -0.722 . . . . 0.0 111.05 173.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 20.2 t -59.93 -46.57 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.651 1.181 . . . . 0.0 112.401 176.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 10.6 p -66.54 -42.92 86.46 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.78 1.173 . . . . 0.0 111.72 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.06 -45.38 90.94 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.538 1.063 . . . . 0.0 110.811 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.08 -27.87 55.37 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.6 -12.04 60.0 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 178.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -128.47 -17.45 4.16 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 -170.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -111.95 130.78 22.89 Favored Pre-proline 0 CA--C 1.555 1.163 0 C-N-CA 124.266 1.026 . . . . 0.0 109.343 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -47.58 -47.66 17.51 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 124.807 3.672 . . . . 0.0 117.488 -158.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . 0.427 ' HA ' ' CE2' ' C' ' 117' ' ' PHE . . . -134.21 18.41 3.72 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.369 1.067 . . . . 0.0 112.171 -178.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.43 -16.4 5.72 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 117.149 2.277 . . . . 0.0 117.149 -155.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 117' ' ' PHE . . . . . 0.461 ' CE2' ' CG ' ' D' ' 116' ' ' HIS . 27.0 p90 -66.56 12.16 0.08 Allowed 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 126.48 1.912 . . . . 0.0 113.287 162.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.15 162.88 1.81 Allowed Pre-proline 0 N--CA 1.48 1.047 0 C-N-CA 126.138 1.775 . . . . 0.0 112.471 -176.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -52.29 -50.33 14.39 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.675 2.25 . . . . 0.0 113.25 172.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -67.61 -60.26 2.69 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.6 -35.14 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 O-C-N 120.839 -1.163 . . . . 0.0 112.909 -167.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -79.01 -45.56 19.97 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.845 1.202 . . . . 0.0 113.486 176.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.77 -48.59 72.47 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 120.301 1.41 . . . . 0.0 110.245 173.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 50.4 m -59.88 -57.04 14.59 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.653 176.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 27.3 mt -58.38 -42.26 86.65 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 121.507 1.958 . . . . 0.0 113.534 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.76 -52.72 64.29 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 120.074 1.306 . . . . 0.0 111.71 176.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -27.7 63.56 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -68.13 -49.46 60.96 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.062 1.345 . . . . 0.0 110.693 172.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -59.81 -39.4 84.92 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.965 0.802 . . . . 0.0 111.213 172.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.59 -33.66 75.43 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 119.523 1.056 . . . . 0.0 113.78 171.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 36.9 t -71.61 -45.19 62.87 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.622 -1.299 . . . . 0.0 112.119 170.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 57.6 t -51.96 -54.92 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 123.871 0.868 . . . . 0.0 109.487 173.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 95.7 p -64.22 -42.59 96.51 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 119.156 0.889 . . . . 0.0 113.112 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 1.5 m -49.99 -47.64 52.75 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.522 1.055 . . . . 0.0 110.98 171.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 89.2 t -71.1 -44.58 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 O-C-N 121.155 -0.966 . . . . 0.0 111.276 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -16.34 63.95 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 1.4 t -101.23 -17.24 16.69 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.197 1.399 . . . . 0.0 112.427 172.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 15.9 t -66.39 163.62 17.9 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.2 1.0 . . . . 0.0 112.047 166.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 13.7 pttm -152.22 123.8 7.84 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.556 1.542 . . . . 0.0 110.761 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -111.05 -44.3 3.61 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.975 1.31 . . . . 0.0 112.857 -175.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.255 0 C-N-CA 125.464 1.505 . . . . 0.0 112.706 -176.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.337 2.2 p . . . . . 0 N--CA 1.515 2.8 0 CA-C-O 116.674 -1.631 . . . . 0.0 113.233 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 5.1 m170 39.99 77.74 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 120.583 1.538 . . . . 0.0 113.757 -173.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 63.3 mt -58.41 114.47 2.46 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.135 -0.978 . . . . 0.0 109.68 170.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.63 134.3 82.47 Favored Pre-proline 0 N--CA 1.472 0.658 0 C-N-CA 126.165 1.786 . . . . 0.0 109.08 174.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.52 -42.72 41.37 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.094 2.529 . . . . 0.0 116.351 -168.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.92 -40.38 87.61 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.648 -0.658 . . . . 0.0 111.904 176.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.39 -44.66 82.47 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.147 0.979 . . . . 0.0 111.526 173.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -43.23 83.56 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.787 1.176 . . . . 0.0 111.482 171.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 16.9 t -57.74 -45.86 85.26 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.439 1.018 . . . . 0.0 110.83 173.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.78 -59.43 5.23 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 175.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 11' ' ' VAL . . . . . 0.485 HG21 ' CE2' ' D' ' 130' ' ' TYR . 2.6 p -63.7 -46.23 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 CA-C-N 119.757 1.162 . . . . 0.0 112.462 -179.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -75.54 -32.08 60.31 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.321 0.964 . . . . 0.0 111.961 -172.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.69 -37.07 83.98 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.474 1.488 . . . . 0.0 111.875 171.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -32.81 70.82 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.461 -0.775 . . . . 0.0 111.631 173.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 7.3 t90 -60.56 -44.06 96.58 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.524 -0.735 . . . . 0.0 112.087 165.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.57 -31.99 57.86 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.693 1.616 . . . . 0.0 115.266 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -95.57 -13.06 24.73 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 118.283 1.041 . . . . 0.0 113.76 174.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.448 HG22 HG13 ' D' ' 23' ' ' VAL . 0.5 OUTLIER -61.77 132.19 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.748 1.219 . . . . 0.0 111.491 -175.396 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -82.88 91.78 7.17 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.714 0.806 . . . . 0.0 109.184 172.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -54.76 -36.75 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 119.367 0.985 . . . . 0.0 113.563 -171.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.56 -54.71 31.86 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 118.906 0.776 . . . . 0.0 112.71 172.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -72.61 -56.2 5.7 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 119.36 -0.352 . . . . 0.0 110.198 -175.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . 0.448 HG13 HG22 ' D' ' 18' ' ' VAL . 0.3 OUTLIER -60.06 -27.46 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 119.01 0.823 . . . . 0.0 112.782 179.074 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.9 -46.73 13.01 Favored Glycine 0 CA--C 1.527 0.823 0 CA-C-N 119.048 0.84 . . . . 0.0 112.256 175.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.99 -41.18 99.96 Favored Glycine 0 N--CA 1.468 0.804 0 CA-C-N 118.337 1.069 . . . . 0.0 112.757 171.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -54.55 -65.89 0.5 Allowed 'General case' 0 C--O 1.214 -0.791 0 C-N-CA 125.112 1.365 . . . . 0.0 109.455 167.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.43 -52.05 63.0 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 121.021 1.737 . . . . 0.0 113.527 -176.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 24.5 tp -70.98 -39.74 72.31 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-O 118.266 -0.874 . . . . 0.0 111.432 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.08 -43.32 99.31 Favored Glycine 0 N--CA 1.468 0.787 0 CA-C-N 119.817 1.189 . . . . 0.0 111.72 171.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 30' ' ' ARG . . . . . 0.417 ' HA ' HG23 ' D' ' 33' ' ' VAL . 0.0 OUTLIER -50.76 -40.84 55.94 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.735 1.614 . . . . 0.0 111.423 177.67 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' D' ' 106' ' ' LEU . 26.0 tp -49.63 -40.78 40.52 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 123.714 0.806 . . . . 0.0 112.032 176.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . 0.413 HD23 ' CD2' ' D' ' 42' ' ' PHE . 0.3 OUTLIER -88.92 -29.73 19.36 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 119.38 -0.343 . . . . 0.0 110.723 -176.629 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 33' ' ' VAL . . . . . 0.417 HG23 ' HA ' ' D' ' 30' ' ' ARG . 1.4 m -67.35 -18.1 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 177.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.0 2.44 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 119.564 1.074 . . . . 0.0 113.378 168.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.65 39.21 0.6 Allowed Pre-proline 0 CA--C 1.563 1.48 0 C-N-CA 126.263 1.825 . . . . 0.0 114.756 -173.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -83.7 158.34 14.14 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 122.195 1.93 . . . . 0.0 111.738 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 32.9 p90 -48.22 -36.17 13.32 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.038 0.935 . . . . 0.0 113.136 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 2.4 m -49.85 -30.81 10.63 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.799 1.639 . . . . 0.0 114.228 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -58.57 -28.24 65.34 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -30.35 69.94 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.493 0.717 . . . . 0.0 112.519 -177.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -87.47 -4.47 59.0 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 176.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 42' ' ' PHE . . . . . 0.413 ' CD2' HD23 ' D' ' 32' ' ' LEU . 11.6 m-85 -89.71 8.64 30.65 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.811 0.845 . . . . 0.0 112.888 175.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -53.74 -31.65 49.2 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 120.455 -1.403 . . . . 0.0 113.328 170.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 48.4 p -59.3 -22.77 61.71 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.026 1.331 . . . . 0.0 114.343 175.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -79.54 -11.27 59.89 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.939 1.295 . . . . 0.0 112.999 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.71 -173.56 12.61 Favored Glycine 0 CA--C 1.537 1.436 0 CA-C-N 119.337 0.971 . . . . 0.0 113.557 -171.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 45.58 -124.34 1.18 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.493 1.117 . . . . 0.0 110.96 -170.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 tt 64.65 -21.94 0.08 Allowed 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 127.567 2.347 . . . . 0.0 116.091 173.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -50.62 -29.8 11.84 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.643 2.377 . . . . 0.0 113.686 173.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 50' ' ' THR . . . . . 0.57 ' HG1' ' H ' ' D' ' 53' ' ' ALA . 10.9 p -127.68 155.02 77.79 Favored Pre-proline 0 N--CA 1.473 0.706 0 C-N-CA 124.384 1.074 . . . . 0.0 109.456 161.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -70.4 -33.0 14.94 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 121.065 1.177 . . . . 0.0 113.391 177.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -58.89 -38.93 79.99 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.061 0.846 . . . . 0.0 110.502 172.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . 0.57 ' H ' ' HG1' ' D' ' 50' ' ' THR . . . -64.53 -43.93 92.45 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 118.375 -0.821 . . . . 0.0 112.246 171.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.13 -34.29 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 CA-C-N 121.085 1.766 . . . . 0.0 113.4 177.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 2.0 ttm -74.3 -34.81 63.61 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.778 0.831 . . . . 0.0 113.171 176.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.48 -31.54 36.94 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.721 0.677 . . . . 0.0 114.246 176.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -49.77 116.45 6.17 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 126.048 1.739 . . . . 0.0 113.506 -171.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -62.56 -26.82 76.18 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.727 2.285 . . . . 0.0 113.292 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -65.87 -43.24 88.93 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.498 1.045 . . . . 0.0 112.117 174.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 26.3 t -69.9 -35.38 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 O-C-N 121.473 -0.767 . . . . 0.0 111.286 174.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -63.08 -51.85 65.02 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.836 1.198 . . . . 0.0 112.277 171.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.23 -46.82 87.45 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.361 1.064 . . . . 0.0 112.677 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -68.02 -35.26 77.99 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.097 -1.002 . . . . 0.0 112.466 175.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.98 -46.2 84.93 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 125.047 1.308 . . . . 0.0 112.702 169.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.79 -42.35 79.31 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 118.289 1.044 . . . . 0.0 111.905 169.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -65.89 -49.65 67.29 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 4.6 m -62.69 -39.73 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 120.033 1.288 . . . . 0.0 111.707 175.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 tt -71.21 -36.73 71.98 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 120.845 -1.16 . . . . 0.0 112.162 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.77 -35.69 75.82 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.674 1.131 . . . . 0.0 113.055 168.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.46 -45.57 75.59 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.264 -1.139 . . . . 0.0 112.426 168.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -58.02 -37.64 74.69 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 120.434 -1.416 . . . . 0.0 112.885 172.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 37.6 p -73.29 -36.85 66.37 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.55 1.068 . . . . 0.0 113.424 176.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -55.54 -35.51 65.77 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.324 0.966 . . . . 0.0 111.3 165.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.93 -63.85 4.93 Favored Glycine 0 C--N 1.339 0.697 0 C-N-CA 123.846 0.736 . . . . 0.0 111.349 167.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 mt -53.73 -21.63 7.56 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 177.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.05 -21.09 22.5 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.689 1.596 . . . . 0.0 114.859 175.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -139.59 41.86 2.02 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.439 1.496 . . . . 0.0 113.264 -171.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.88 -11.71 30.1 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.084 1.512 . . . . 0.0 115.084 177.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.43 -4.95 42.46 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.011 0.924 . . . . 0.0 113.335 170.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.45 -63.4 1.39 Allowed 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -171.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 50.91 -13.38 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 118.343 2.72 . . . . 0.0 118.343 -171.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -119.75 -57.53 1.96 Allowed 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.702 1.592 . . . . 0.0 111.105 -178.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.25 -39.37 94.51 Favored Glycine 0 CA--C 1.537 1.435 0 CA-C-N 118.876 0.762 . . . . 0.0 114.067 176.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 3.1 t -71.69 -18.98 62.13 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -121.55 5.69 10.08 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -175.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.98 -39.72 69.3 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 120.648 1.567 . . . . 0.0 113.479 -173.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 17.1 p -63.68 -44.1 94.74 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.931 1.292 . . . . 0.0 112.75 173.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 20.9 mt -68.49 -39.34 81.36 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.539 -0.726 . . . . 0.0 111.829 175.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -63.46 -38.48 91.3 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.244 1.018 . . . . 0.0 111.637 175.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -64.88 -49.78 69.14 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.196 -0.94 . . . . 0.0 112.107 170.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 12.5 tp -50.72 -54.69 21.17 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.14 0.976 . . . . 0.0 111.285 173.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -74.56 10.74 1.22 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.012 1.325 . . . . 0.0 114.239 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 41.9 t -130.47 -58.35 1.05 Allowed 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.934 -1.104 . . . . 0.0 111.704 174.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.65 -40.18 69.86 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.141 0.976 . . . . 0.0 112.893 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.71 -41.51 16.18 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.326 0.65 . . . . 0.0 112.447 178.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.99 82.24 1.44 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.596 1.558 . . . . 0.0 111.521 -176.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -66.22 28.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 126.997 2.119 . . . . 0.0 115.091 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 75.2 t -51.55 145.46 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 127.872 2.469 . . . . 0.0 112.392 -173.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -57.01 131.98 80.05 Favored Pre-proline 0 CA--C 1.553 1.06 0 O-C-N 121.555 -0.716 . . . . 0.0 112.877 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -49.44 -30.29 20.39 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 124.076 3.184 . . . . 0.0 115.49 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -42.72 -46.49 5.13 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.395 1.478 . . . . 0.0 113.897 170.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -64.97 -31.83 73.26 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.232 -0.918 . . . . 0.0 112.752 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -67.2 -45.72 76.06 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.961 0.904 . . . . 0.0 109.96 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 24.8 mtt85 -62.97 -38.54 91.52 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 122.04 -0.412 . . . . 0.0 111.635 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.33 -48.5 81.5 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.099 0.96 . . . . 0.0 112.708 172.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . 0.436 ' HA ' HD13 ' D' ' 31' ' ' LEU . 1.4 tt -56.98 -42.5 80.34 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.876 0.762 . . . . 0.0 110.832 174.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.3 -63.52 5.21 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 124.348 0.975 . . . . 0.0 114.182 172.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -44.9 -49.27 11.08 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.108 1.763 . . . . 0.0 110.762 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 37.2 t -59.64 -52.55 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 123.653 0.781 . . . . 0.0 112.221 176.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 58.3 tp -56.37 -51.6 67.7 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 119.654 1.115 . . . . 0.0 110.938 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 1.4 m -62.84 -31.52 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.796 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 22.4 t -66.24 -42.68 88.28 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.289 0.495 . . . . 0.0 111.73 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . 0.261 1.7 m -69.1 -37.39 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 120.679 -1.263 . . . . 0.0 112.472 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.79 -36.43 83.87 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.693 -0.629 . . . . 0.0 110.89 172.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.6 -29.96 69.53 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 171.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 116' ' ' HIS . . . . . 0.461 ' CG ' ' CE2' ' C' ' 117' ' ' PHE . 0.8 OUTLIER -77.85 -50.01 13.12 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.579 1.081 . . . . 0.0 112.302 172.764 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.91 -19.14 61.97 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -167.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -129.08 41.26 3.5 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.157 1.783 . . . . 0.0 110.005 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -54.47 -23.02 25.84 Favored Glycine 0 N--CA 1.475 1.271 0 C-N-CA 126.063 1.792 . . . . 0.0 116.088 -177.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -79.75 -8.54 59.31 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 118.879 1.339 . . . . 0.0 113.794 173.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -128.83 3.93 5.41 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 127.364 2.266 . . . . 0.0 112.541 -173.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.85 26.79 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 127.161 2.184 . . . . 0.0 116.108 -171.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 29.1 p -46.3 144.48 3.18 Favored Pre-proline 0 N--CA 1.48 1.054 0 O-C-N 120.675 -1.266 . . . . 0.0 113.571 -165.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -40.42 -46.0 4.4 Favored 'Trans proline' 0 CA--C 1.548 1.182 0 C-N-CA 123.335 2.69 . . . . 0.0 116.121 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.83 -26.99 26.66 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 121.684 1.589 . . . . 0.0 115.074 173.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -44.78 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 121.9 2.136 . . . . 0.0 111.765 174.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -73.91 -28.28 61.45 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 118.289 -0.862 . . . . 0.0 112.48 175.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.38 -48.35 67.68 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 120.855 1.661 . . . . 0.0 111.688 170.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.41 81.71 Favored 'General case' 0 CA--C 1.527 0.074 0 C-N-CA 124.894 1.278 . . . . 0.0 111.483 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 130' ' ' TYR . . . . . 0.485 ' CE2' HG21 ' D' ' 11' ' ' VAL . 1.0 OUTLIER -54.67 -51.37 65.7 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 118.498 -0.763 . . . . 0.0 111.514 170.694 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.19 -36.1 74.74 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.856 1.207 . . . . 0.0 113.026 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -66.83 -44.0 82.25 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.714 1.143 . . . . 0.0 112.881 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.77 -39.83 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.024 -1.047 . . . . 0.0 112.413 172.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 20.0 t -60.83 -42.27 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.636 1.174 . . . . 0.0 111.972 176.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.0 96.75 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.686 1.194 . . . . 0.0 111.951 174.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -54.59 -49.8 59.73 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.747 -0.474 . . . . 0.0 112.135 169.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 3.7 t -58.33 -47.93 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 117.895 0.848 . . . . 0.0 112.159 172.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.96 -47.53 80.51 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 120.213 1.369 . . . . 0.0 111.836 178.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -66.48 -36.06 81.82 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.749 -0.595 . . . . 0.0 112.308 176.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.28 -48.57 79.3 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.074 -1.016 . . . . 0.0 112.578 173.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 8.9 mt -68.2 -27.79 66.69 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.182 -0.949 . . . . 0.0 111.782 177.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 142' ' ' ALA . . . . . 0.473 ' HA ' ' CE1' ' D' ' 145' ' ' TYR . . . -77.69 -6.79 55.12 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 168.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -62.66 -42.17 99.46 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 119.815 -1.803 . . . . 0.0 113.111 -167.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -9.51 3.83 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.447 1.499 . . . . 0.0 114.923 176.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 145' ' ' TYR . . . . . 0.473 ' CE1' ' HA ' ' D' ' 142' ' ' ALA . 1.7 m-30 -70.99 -27.05 63.42 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 119.388 0.995 . . . . 0.0 111.623 -177.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 60.5 m80 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.131 1.772 . . . . 0.0 112.788 177.908 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.27 3.1 p . . . . . 0 N--CA 1.511 2.613 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 58.4 mt -141.98 165.9 26.18 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 120.683 1.583 . . . . 0.0 113.238 -172.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.21 165.66 25.3 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 126.891 2.076 . . . . 0.0 113.2 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -78.57 -49.75 0.08 OUTLIER 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.368 2.712 . . . . 0.0 114.245 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.78 -29.08 70.43 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.344 -0.847 . . . . 0.0 112.501 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -48.01 -61.36 2.01 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.914 1.286 . . . . 0.0 112.184 165.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -54.66 -47.07 74.03 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.746 0.818 . . . . 0.0 110.678 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.7 m -55.04 -49.28 71.98 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 118.95 0.796 . . . . 0.0 112.609 178.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -66.32 -37.66 85.88 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.068 0.849 . . . . 0.0 112.932 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.5 t -63.34 -48.42 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-O 118.732 -0.652 . . . . 0.0 110.925 174.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -58.21 -44.34 88.11 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.521 1.055 . . . . 0.0 111.354 174.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.9 -53.31 59.88 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.31 0.644 . . . . 0.0 111.671 176.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.17 -52.49 65.12 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.34 0.656 . . . . 0.0 111.57 176.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -62.27 -27.21 68.86 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.36 -41.95 97.91 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.625 1.107 . . . . 0.0 113.45 170.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -71.07 -35.93 72.09 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 118.538 1.169 . . . . 0.0 111.172 173.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.04 -43.02 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.445 1.098 . . . . 0.0 111.808 174.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.83 -142.65 7.16 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.51 1.052 . . . . 0.0 114.529 175.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.73 -21.84 63.38 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.313 -1.11 . . . . 0.0 113.951 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -66.35 -10.71 45.89 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.241 1.017 . . . . 0.0 113.372 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -44.95 -48.07 11.36 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.917 1.287 . . . . 0.0 113.531 177.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.53 -35.91 91.84 Favored Glycine 0 C--N 1.34 0.767 0 O-C-N 121.903 -0.498 . . . . 0.0 113.776 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.39 -46.66 82.35 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.453 1.101 . . . . 0.0 110.047 175.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -63.96 -36.2 83.18 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.855 0.862 . . . . 0.0 111.891 176.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.95 -46.39 81.89 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-N 118.783 0.72 . . . . 0.0 112.838 171.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.71 92.71 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.228 1.014 . . . . 0.0 111.605 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.04 -41.39 98.06 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 123.634 0.774 . . . . 0.0 111.728 173.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.09 93.66 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.5 1.045 . . . . 0.0 112.603 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.2 mt -66.47 -50.79 62.14 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.601 1.16 . . . . 0.0 112.111 174.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -57.39 -45.52 84.42 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.442 -0.787 . . . . 0.0 111.822 177.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -47.62 79.04 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.272 1.829 . . . . 0.0 112.156 171.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.9 ttp -57.77 -49.61 76.03 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.765 174.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -61.32 -40.19 93.31 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.601 0.964 . . . . 0.0 113.601 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -83.89 -29.97 26.76 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.9 m -68.58 -43.96 75.4 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 119.804 1.184 . . . . 0.0 112.396 170.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -127.61 81.24 70.56 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 125.906 1.683 . . . . 0.0 109.802 -174.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.11 -27.49 17.18 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.984 3.123 . . . . 0.0 115.052 175.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 p -51.8 -35.98 46.05 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.724 1.21 . . . . 0.0 113.161 170.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.2 p -64.01 -28.11 69.58 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 174.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -63.12 -37.29 86.64 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.665 1.12 . . . . 0.0 112.535 177.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -32.4 73.93 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 121.189 -0.944 . . . . 0.0 113.063 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -62.8 -26.38 68.7 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -156.64 110.94 2.0 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 123.601 0.76 . . . . 0.0 109.921 161.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.89 -133.66 0.01 OUTLIER 'Trans proline' 0 CA--C 1.547 1.145 0 C-N-CA 123.876 3.051 . . . . 0.0 109.567 171.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 p80 58.13 -11.77 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 127.651 2.38 . . . . 0.0 116.823 -174.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -72.36 114.97 11.05 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.491 1.917 . . . . 0.0 112.45 176.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -80.61 69.83 7.2 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.355 1.462 . . . . 0.0 111.202 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.8 mt -69.71 31.86 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 125.874 1.67 . . . . 0.0 114.789 -175.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.4 m -72.71 7.76 1.79 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 127.334 2.254 . . . . 0.0 114.966 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.4 m170 75.89 124.09 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 129.032 2.933 . . . . 0.0 112.641 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.97 1.96 59.58 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 124.908 1.242 . . . . 0.0 114.997 -175.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -53.9 116.93 2.81 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.705 2.002 . . . . 0.0 114.838 -171.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.65 -37.11 72.81 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.518 1.127 . . . . 0.0 113.451 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -68.2 -31.51 71.08 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 176.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.6 t -72.92 -48.5 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 119.87 1.214 . . . . 0.0 110.837 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -60.11 -42.08 93.96 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.357 0.526 . . . . 0.0 111.638 173.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.38 -48.76 79.96 Favored Glycine 0 N--CA 1.47 0.911 0 C-N-CA 124.127 0.87 . . . . 0.0 113.06 175.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -58.65 -42.94 89.53 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.923 1.361 . . . . 0.0 111.789 173.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.9 -50.68 49.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 121.45 -0.781 . . . . 0.0 113.589 170.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -55.11 -44.99 75.45 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.311 1.044 . . . . 0.0 112.215 172.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -63.46 -50.65 68.89 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.988 0.915 . . . . 0.0 112.502 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 80.4 t -54.57 -47.45 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-N 118.98 0.809 . . . . 0.0 110.785 174.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.477 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -62.89 -41.26 99.36 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.81 -38.69 91.72 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 118.941 0.792 . . . . 0.0 111.422 175.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.13 -30.3 70.76 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 169.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.47 -43.43 94.23 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.863 1.21 . . . . 0.0 110.904 167.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.0 m -58.88 -46.28 88.2 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.36 1.436 . . . . 0.0 112.686 170.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -30.52 69.8 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.034 -1.041 . . . . 0.0 112.973 179.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.61 -56.97 14.1 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 124.241 1.016 . . . . 0.0 110.554 163.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.5 t -53.05 -41.56 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-N 119.584 1.084 . . . . 0.0 112.845 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.5 -23.87 67.58 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -138.35 29.77 2.43 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.406 1.482 . . . . 0.0 111.827 -172.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.1 p -62.67 -30.22 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -162.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -78.08 -15.09 59.2 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 173.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.3 17.46 10.64 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 127.946 2.499 . . . . 0.0 111.178 -173.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.499 ' HE1' ' HG ' ' A' ' 131' ' ' SER . 13.3 ttp -55.96 -29.42 5.72 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 126.403 1.881 . . . . 0.0 115.899 -170.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -50.25 23.53 0.02 OUTLIER 'Trans proline' 0 CA--C 1.551 1.354 1 C-N-CA 126.638 4.892 . . . . 0.0 119.123 161.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -150.2 -35.98 0.16 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.759 2.024 . . . . 0.0 111.066 169.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.89 -33.91 65.04 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 176.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 mt -96.81 7.51 46.44 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -175.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -55.39 -38.47 68.91 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 120.705 1.593 . . . . 0.0 114.67 -175.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.95 73.52 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.949 -1.094 . . . . 0.0 112.634 172.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.3 mt -79.64 -31.04 41.48 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.577 1.151 . . . . 0.0 111.216 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.0 t -54.8 -49.52 70.77 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 117.731 -1.128 . . . . 0.0 110.813 162.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -57.26 -36.67 71.27 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 120.396 1.453 . . . . 0.0 113.553 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -56.83 -62.01 2.04 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.984 0.811 . . . . 0.0 111.024 170.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.63 -25.65 66.69 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.012 -1.055 . . . . 0.0 113.77 -178.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.3 -33.37 16.13 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.896 1.225 . . . . 0.0 113.521 -173.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -135.06 2.71 3.1 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -169.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -135.98 -17.97 1.61 Allowed 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.8 mt -141.34 -46.66 0.38 Allowed 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 116.493 2.034 . . . . 0.0 116.493 -172.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 46.68 32.64 1.78 Allowed 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 126.418 1.887 . . . . 0.0 115.596 -176.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.36 142.05 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.319 1.047 . . . . 0.0 111.955 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -58.56 131.65 85.44 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 124.999 1.32 . . . . 0.0 111.801 172.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -45.16 -19.91 0.39 Allowed 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 124.698 3.599 . . . . 0.0 116.84 173.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.2 p -47.93 -40.61 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 O-C-N 120.172 -1.58 . . . . 0.0 113.361 170.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -63.38 -33.93 76.62 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.117 -0.99 . . . . 0.0 112.378 174.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -57.96 -49.62 76.19 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 119.501 1.046 . . . . 0.0 109.326 173.341 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -57.79 -40.33 79.62 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.982 0.896 . . . . 0.0 111.109 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.24 -51.11 62.94 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.764 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.2 tp -57.72 -47.92 81.04 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.649 -0.657 . . . . 0.0 112.708 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.3 p -63.57 -43.39 97.14 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.303 0.956 . . . . 0.0 111.683 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -58.46 -52.12 66.95 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 122.692 0.397 . . . . 0.0 110.621 172.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 92.7 m -60.28 -32.68 71.41 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.4 mt -68.34 -48.31 65.2 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 124.258 1.023 . . . . 0.0 111.863 173.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.0 mt -54.69 -40.53 69.25 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.426 -0.796 . . . . 0.0 110.652 173.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.6 -45.77 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 124.033 0.933 . . . . 0.0 112.826 174.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.6 p -67.58 -32.12 72.65 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.276 1.398 . . . . 0.0 112.333 177.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.71 -45.22 90.97 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.155 0.889 . . . . 0.0 111.059 169.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.07 -32.81 64.45 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.26 -12.42 61.58 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 177.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -128.48 -16.89 4.27 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -173.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.1 mp -114.4 124.63 30.38 Favored Pre-proline 0 CA--C 1.557 1.223 0 C-N-CA 124.907 1.283 . . . . 0.0 109.099 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -40.2 -61.03 0.49 Allowed 'Trans proline' 0 C--N 1.357 1.003 1 C-N-CA 125.689 4.259 . . . . 0.0 118.0 -159.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -132.63 40.8 3.24 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 125.275 1.43 . . . . 0.0 108.86 176.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -21.29 6.13 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 -164.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -62.97 7.99 0.07 Allowed 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 165.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.9 149.84 5.91 Favored Pre-proline 0 N--CA 1.477 0.923 0 CA-C-N 120.777 1.626 . . . . 0.0 111.398 -178.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.452 ' HA ' ' HB ' ' B' ' 33' ' ' VAL . 5.6 Cg_exo -48.98 -39.87 40.49 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.513 2.142 . . . . 0.0 114.83 173.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.12 -60.14 2.38 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 174.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.94 -38.05 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 120.877 -1.14 . . . . 0.0 112.695 -169.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -78.34 -43.67 27.16 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 125.349 1.46 . . . . 0.0 113.628 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.23 -48.4 76.55 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-N 119.876 1.216 . . . . 0.0 109.499 172.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.7 m -53.59 -63.29 1.2 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.709 0.804 . . . . 0.0 112.042 173.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 37.3 mt -61.22 -40.81 95.38 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 120.473 -1.392 . . . . 0.0 113.956 -175.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.04 -48.94 74.3 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.264 1.393 . . . . 0.0 111.678 177.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -28.44 65.83 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 118.727 0.694 . . . . 0.0 112.747 178.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -67.92 -45.53 74.09 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.504 1.047 . . . . 0.0 111.446 169.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.27 -31.08 69.89 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.335 -1.478 . . . . 0.0 111.417 170.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.87 65.85 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 172.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.499 ' HG ' ' HE1' ' A' ' 76' ' ' MET . 79.0 p -78.57 -42.28 29.6 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.397 -1.439 . . . . 0.0 111.658 170.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 73.0 t -50.43 -54.46 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.615 1.166 . . . . 0.0 109.582 169.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 87.0 p -63.63 -46.75 84.27 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.9 m -48.44 -51.66 25.82 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 118.848 0.749 . . . . 0.0 110.566 173.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 91.4 t -67.35 -43.27 87.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 118.391 0.542 . . . . 0.0 111.367 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -32.05 65.3 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.2 0.909 . . . . 0.0 113.049 175.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 98.8 m -93.85 -7.9 41.92 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.227 2.211 . . . . 0.0 112.929 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.6 t -142.25 77.96 1.6 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.195 1.398 . . . . 0.0 111.551 -171.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -136.93 23.75 3.06 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.866 1.266 . . . . 0.0 113.392 -177.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -72.27 133.58 45.12 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.381 -0.824 . . . . 0.0 110.259 173.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 . . . . . 0 C--O 1.254 1.292 0 C-N-CA 126.099 1.76 . . . . 0.0 111.529 173.793 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . 0.426 HG12 ' H ' ' B' ' 2' ' ' HIS 0.312 5.2 p . . . . . 0 N--CA 1.516 2.856 0 CA-C-O 116.995 -1.478 . . . . 0.0 112.919 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . 0.426 ' H ' HG12 ' B' ' 1' ' ' VAL . 44.4 m80 20.2 70.84 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 128.213 2.605 . . . . 0.0 115.266 -177.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.38 156.84 12.09 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.036 0.534 . . . . 0.0 111.286 -177.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.58 147.29 83.79 Favored Pre-proline 0 N--CA 1.479 1.003 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 162.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -50.77 -38.45 56.78 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 123.099 2.533 . . . . 0.0 114.863 175.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -73.84 -36.04 64.87 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.875 0.761 . . . . 0.0 111.875 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.32 -41.05 81.39 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.502 -0.749 . . . . 0.0 111.393 171.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -54.9 -50.89 67.64 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.894 0.877 . . . . 0.0 110.736 170.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 45.4 m -55.61 -43.12 75.8 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.449 1.022 . . . . 0.0 112.137 174.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.11 -48.43 80.22 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 177.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.6 p -69.06 -55.45 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 CA-C-N 119.459 1.027 . . . . 0.0 112.461 174.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -68.45 -34.77 76.55 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.696 -1.252 . . . . 0.0 112.678 -169.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.25 -37.6 85.88 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.683 1.129 . . . . 0.0 112.207 174.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 tt -67.92 -35.39 78.37 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.456 -0.777 . . . . 0.0 111.106 172.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . 0.4 ' CZ2' ' CD1' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -61.49 -32.02 72.02 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 167.753 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.55 -37.38 93.25 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.303 0.954 . . . . 0.0 114.012 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -90.4 -16.94 28.13 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 176.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.47 HG23 HG12 ' B' ' 23' ' ' VAL . 0.3 OUTLIER -58.68 135.44 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 123.838 0.855 . . . . 0.0 112.603 -167.267 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -87.08 87.91 7.57 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.806 0.842 . . . . 0.0 109.255 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.415 HG12 HD21 ' B' ' 68' ' ' LEU . 70.3 t -52.78 -38.9 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 CA-C-N 119.574 1.079 . . . . 0.0 113.864 -170.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -45.39 76.32 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.898 0.772 . . . . 0.0 112.789 175.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -79.31 -52.87 7.54 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.834 -0.541 . . . . 0.0 110.762 -175.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.47 HG12 HG23 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -60.97 -30.93 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 123.73 0.812 . . . . 0.0 111.825 175.468 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.21 -45.74 18.44 Favored Glycine 0 C--N 1.342 0.865 0 CA-C-N 119.395 0.998 . . . . 0.0 112.067 177.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.55 -45.11 96.93 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 117.926 0.863 . . . . 0.0 112.538 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.15 -29.48 68.38 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 118.083 -0.961 . . . . 0.0 112.08 174.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.596 ' HA ' HG13 ' B' ' 113' ' ' VAL . . . -68.97 -62.28 1.45 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 121.189 1.813 . . . . 0.0 111.693 172.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.4 tp -64.05 -37.37 87.18 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.745 -0.597 . . . . 0.0 110.448 -176.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -48.78 -62.8 4.27 Favored Glycine 0 CA--C 1.525 0.692 0 CA-C-O 118.239 -1.312 . . . . 0.0 112.012 161.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -50.54 -26.13 4.88 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 120.229 2.015 . . . . 0.0 114.261 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tt -77.73 -51.11 11.08 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 120.507 1.503 . . . . 0.0 111.462 169.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.451 ' HB3' HD12 ' B' ' 48' ' ' LEU . 5.1 mp -76.72 -8.9 58.16 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.906 -1.121 . . . . 0.0 113.113 -176.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.452 ' HB ' ' HA ' ' A' ' 119' ' ' PRO . 3.0 m -74.91 -26.44 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 119.842 1.201 . . . . 0.0 114.186 172.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.12 1.42 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 CA-C-N 119.874 1.215 . . . . 0.0 113.846 -167.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.4 42.32 1.24 Allowed Pre-proline 0 CA--C 1.557 1.242 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -162.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . 0.402 ' HG2' ' HG1' ' B' ' 38' ' ' THR . 44.5 Cg_endo -73.88 164.23 35.11 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.49 2.127 . . . . 0.0 111.78 177.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -54.38 -32.84 57.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.438 1.095 . . . . 0.0 113.422 168.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.402 ' HG1' ' HG2' ' B' ' 36' ' ' PRO . 16.8 p -57.74 -20.59 35.9 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 120.606 -1.309 . . . . 0.0 113.638 173.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -60.03 -16.63 32.64 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 171.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.28 -41.81 19.62 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 121.461 1.937 . . . . 0.0 112.083 169.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -74.66 3.22 8.21 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.418 ' HB2' HD13 ' B' ' 48' ' ' LEU . 6.2 p90 -50.52 -23.16 2.32 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -179.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -50.54 -33.95 23.58 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 171.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.23 6.23 26.88 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 176.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -123.96 23.74 8.48 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.306 1.842 . . . . 0.0 111.206 -174.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.27 -97.2 0.03 OUTLIER Glycine 0 CA--C 1.539 1.569 0 C-N-CA 125.935 1.731 . . . . 0.0 116.052 168.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.79 -94.45 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 125.602 1.561 . . . . 0.0 112.788 -174.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.451 HD12 ' HB3' ' B' ' 32' ' ' LEU . 10.2 tt 58.46 -23.33 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 129.199 2.999 . . . . 0.0 118.023 174.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 59.3 p -53.81 -17.03 2.04 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 127.669 2.388 . . . . 0.0 115.939 -175.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 13.7 p -135.46 159.62 70.93 Favored Pre-proline 0 N--CA 1.472 0.672 0 C-N-CA 125.683 1.593 . . . . 0.0 111.604 166.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -57.61 -50.07 11.68 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.447 2.764 . . . . 0.0 114.451 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.29 -34.62 75.51 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.696 -0.627 . . . . 0.0 112.246 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.15 -51.26 70.37 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.458 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.81 -31.63 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 CA-C-N 121.294 1.861 . . . . 0.0 114.215 -174.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 6.1 ptp -90.6 -18.0 25.93 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 177.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.64 -14.1 55.86 Favored Glycine 0 CA--C 1.541 1.682 0 C-N-CA 124.238 0.923 . . . . 0.0 114.488 170.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -65.26 120.77 70.25 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 127.178 2.191 . . . . 0.0 113.308 -173.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -63.3 -32.53 72.76 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.783 2.322 . . . . 0.0 112.729 -177.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 38.9 tttp -70.55 -38.77 74.21 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.82 0.848 . . . . 0.0 112.309 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 72.6 t -65.9 -41.89 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.63 -0.669 . . . . 0.0 111.04 171.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -65.72 -44.23 86.66 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.472 1.033 . . . . 0.0 111.624 175.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.54 -50.19 73.67 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.673 1.124 . . . . 0.0 113.362 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -64.62 -35.85 82.36 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.002 -1.062 . . . . 0.0 111.629 173.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.57 -48.53 84.01 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 124.426 1.012 . . . . 0.0 112.78 173.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -58.25 -39.03 78.09 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.487 1.115 . . . . 0.0 111.999 171.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -66.82 -53.0 37.19 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.188 0.995 . . . . 0.0 113.374 175.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 4.5 m -60.14 -38.31 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 120.234 1.379 . . . . 0.0 111.61 176.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.415 HD21 HG12 ' B' ' 20' ' ' VAL . 7.0 tt -69.2 -44.97 71.03 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.403 -0.811 . . . . 0.0 111.903 175.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.73 -41.75 75.9 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.825 1.202 . . . . 0.0 112.029 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.29 89.89 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 171.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.4 ' CD1' ' CZ2' ' B' ' 15' ' ' TRP . 7.4 t80 -55.77 -41.58 74.23 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.884 -1.135 . . . . 0.0 112.1 170.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -63.74 -44.08 94.58 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.193 0.997 . . . . 0.0 112.228 176.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -30.31 66.21 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.761 1.224 . . . . 0.0 111.85 170.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.53 -63.2 5.44 Favored Glycine 0 C--N 1.34 0.753 0 C-N-CA 125.002 1.287 . . . . 0.0 110.659 169.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.56 -32.09 62.7 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.814 1.307 . . . . 0.0 113.833 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.84 -28.91 67.95 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 173.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -142.78 45.1 1.59 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.488 1.515 . . . . 0.0 113.183 -169.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.76 -19.66 59.69 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 120.774 -1.204 . . . . 0.0 113.987 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.85 -40.44 21.43 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.607 1.963 . . . . 0.0 114.041 177.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -157.29 134.39 10.29 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.303 1.041 . . . . 0.0 111.22 169.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 48.1 mt -104.15 -43.4 5.26 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.35 0.66 . . . . 0.0 112.142 -173.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -57.61 -24.84 58.56 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 125.541 1.536 . . . . 0.0 113.929 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.94 4.04 58.91 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 126.235 1.874 . . . . 0.0 115.429 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.23 -19.84 5.43 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.098 1.449 . . . . 0.0 113.529 173.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -106.83 13.3 28.0 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.681 1.193 . . . . 0.0 113.875 174.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.41 -40.14 64.88 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.93 1.241 . . . . 0.0 113.753 -177.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 6.2 p -64.42 -42.45 96.03 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.443 1.097 . . . . 0.0 112.664 173.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 15.4 mt -70.07 -32.79 71.05 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.702 -0.623 . . . . 0.0 112.026 175.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.566 ' HG ' ' HB3' ' B' ' 143' ' ' HIS . 7.3 t -62.93 -46.65 86.76 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.035 0.934 . . . . 0.0 111.31 172.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -62.71 -37.95 88.51 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.245 -0.91 . . . . 0.0 112.728 171.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.54 -56.66 17.6 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.557 -1.339 . . . . 0.0 111.953 174.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -73.96 -21.96 59.81 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 37.9 t -97.41 -53.3 3.5 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 174.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -85.83 -38.57 17.99 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.62 1.555 . . . . 0.0 113.264 -171.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -85.5 -28.65 24.84 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 77.1 mt -119.44 -39.59 2.87 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -174.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 50.89 18.09 0.48 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 127.646 2.378 . . . . 0.0 116.316 -178.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 1.3 m -52.02 140.96 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.015 1.726 . . . . 0.0 112.672 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.07 136.27 96.61 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-O 119.13 -0.462 . . . . 0.0 112.22 -175.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -48.78 -35.27 30.18 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.12 3.214 . . . . 0.0 116.599 -175.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -50.25 -30.39 11.6 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.32 -1.488 . . . . 0.0 113.274 173.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -62.76 -37.79 88.0 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.328 1.051 . . . . 0.0 111.597 176.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' B' ' 104' ' ' ARG . 0.4 OUTLIER -61.59 -46.26 90.6 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.625 1.102 . . . . 0.0 110.513 172.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . 0.407 ' N ' ' CD1' ' B' ' 103' ' ' PHE . 8.3 tpm_? -64.65 -36.9 85.75 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.922 0.889 . . . . 0.0 110.166 -173.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -47.6 85.64 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.175 0.99 . . . . 0.0 111.911 170.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -38.24 85.4 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.431 1.014 . . . . 0.0 111.403 176.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -64.05 -54.42 30.5 Favored Glycine 0 N--CA 1.466 0.69 0 O-C-N 121.51 -0.744 . . . . 0.0 113.236 174.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -58.11 -32.02 67.7 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 118.04 0.92 . . . . 0.0 111.536 177.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 6.7 t -63.67 -57.02 13.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 120.869 -1.144 . . . . 0.0 112.052 167.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 48.4 tp -56.35 -45.49 80.4 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 119.362 0.983 . . . . 0.0 111.796 -176.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 2.6 m -61.7 -26.7 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 121.452 -0.78 . . . . 0.0 112.389 178.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 20.3 t -94.21 -35.11 12.63 Favored 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -172.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . 0.596 HG13 ' HA ' ' B' ' 27' ' ' ALA . 0.2 OUTLIER -55.84 -38.57 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-N 120.106 1.321 . . . . 0.0 110.183 167.339 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 35.7 mt -64.0 -43.54 95.37 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.129 0.422 . . . . 0.0 111.357 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.02 -21.92 65.29 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 170.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.98 -60.01 2.51 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.128 0.876 . . . . 0.0 111.103 167.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -66.82 -26.0 66.72 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.606 0.639 . . . . 0.0 112.418 -170.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -129.99 39.38 3.69 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.857 1.663 . . . . 0.0 110.282 -175.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -49.05 -40.32 27.92 Favored Glycine 0 N--CA 1.474 1.192 0 C-N-CA 125.171 1.367 . . . . 0.0 114.629 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -9.6 5.49 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 171.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -134.82 11.09 3.66 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.163 1.785 . . . . 0.0 113.078 -176.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.16 27.14 0.06 Allowed 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -168.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 18.9 p -43.46 144.73 1.22 Allowed Pre-proline 0 N--CA 1.485 1.298 0 CA-C-N 120.23 1.377 . . . . 0.0 114.375 -159.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -41.64 -47.38 6.06 Favored 'Trans proline' 0 CA--C 1.546 1.108 0 C-N-CA 122.951 2.434 . . . . 0.0 115.444 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.58 -23.75 31.28 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 121.911 1.741 . . . . 0.0 115.229 173.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.44 -47.96 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 121.135 1.789 . . . . 0.0 110.413 173.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -64.26 -43.75 93.89 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.247 -0.908 . . . . 0.0 111.524 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.79 -32.6 69.47 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.386 0.675 . . . . 0.0 112.562 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.67 -52.18 22.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.429 0.691 . . . . 0.0 110.419 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -53.67 -46.87 70.76 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.517 0.599 . . . . 0.0 112.052 172.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -59.81 -39.25 84.37 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 117.912 -1.042 . . . . 0.0 112.971 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.34 -39.85 89.46 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 120.283 1.401 . . . . 0.0 113.377 172.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 17.5 t -65.88 -47.31 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 CA-C-N 119.754 1.161 . . . . 0.0 111.084 174.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.64 -40.84 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.223 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.76 -44.66 86.31 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.997 1.271 . . . . 0.0 111.22 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -60.08 -54.56 36.39 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 121.784 -0.573 . . . . 0.0 112.993 171.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -44.46 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 118.353 1.076 . . . . 0.0 110.465 -177.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.04 -41.74 94.96 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.579 1.152 . . . . 0.0 113.315 176.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -64.55 -19.55 65.69 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.416 1.007 . . . . 0.0 112.404 172.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.35 24.26 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.095 -1.003 . . . . 0.0 111.897 165.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.38 -27.65 69.23 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.551 -1.343 . . . . 0.0 112.799 174.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -75.11 -15.58 60.59 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.611 1.964 . . . . 0.0 113.922 172.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 143' ' ' HIS . . . . . 0.566 ' HB3' ' HG ' ' B' ' 89' ' ' SER . 7.2 t60 -52.87 -44.76 67.07 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.943 1.701 . . . . 0.0 114.286 -173.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -68.94 -15.0 63.37 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 173.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -102.35 -19.35 15.02 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 126.595 1.958 . . . . 0.0 113.281 178.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . 0.283 0.2 OUTLIER . . . . . 0 C--O 1.257 1.497 0 C-N-CA 128.787 2.835 . . . . 0.0 114.973 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.272 3.0 p . . . . . 0 N--CA 1.513 2.698 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 58.6 mt -141.96 165.98 25.97 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 120.645 1.566 . . . . 0.0 113.282 -172.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.35 165.79 24.37 Favored Pre-proline 0 N--CA 1.479 0.983 0 C-N-CA 126.826 2.051 . . . . 0.0 113.15 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -78.76 -49.74 0.08 OUTLIER 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 123.362 2.708 . . . . 0.0 114.138 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.72 -29.19 70.48 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 121.367 -0.833 . . . . 0.0 112.408 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -47.93 -61.43 1.96 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.856 1.262 . . . . 0.0 112.2 165.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -54.51 -47.25 73.3 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.82 0.848 . . . . 0.0 110.599 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 56.5 m -54.99 -49.23 72.01 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 118.819 0.736 . . . . 0.0 112.6 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -66.44 -37.43 85.14 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.997 0.817 . . . . 0.0 112.993 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 84.9 t -63.5 -48.34 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 118.753 -0.641 . . . . 0.0 110.922 174.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -58.32 -44.27 88.55 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.496 1.044 . . . . 0.0 111.284 174.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.88 -53.36 59.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.376 0.671 . . . . 0.0 111.661 176.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.2 -52.42 65.38 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.225 0.61 . . . . 0.0 111.598 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -62.21 -27.34 68.91 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.25 -42.03 98.03 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.613 1.101 . . . . 0.0 113.42 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -70.98 -36.01 72.33 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 118.592 1.196 . . . . 0.0 111.195 173.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.97 -43.0 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.436 1.094 . . . . 0.0 111.856 174.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.78 -142.6 7.12 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.501 1.048 . . . . 0.0 114.568 175.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.72 -21.82 63.34 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -66.26 -10.91 46.78 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.344 1.058 . . . . 0.0 113.394 177.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . 0.481 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -44.8 -48.22 10.94 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.88 1.272 . . . . 0.0 113.589 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.27 -36.12 92.39 Favored Glycine 0 N--CA 1.467 0.748 0 O-C-N 121.893 -0.505 . . . . 0.0 113.859 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.38 -46.51 83.0 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.395 1.078 . . . . 0.0 110.11 175.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -64.04 -36.2 83.23 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.75 0.82 . . . . 0.0 111.972 176.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.88 -46.36 82.66 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-N 118.67 0.668 . . . . 0.0 112.862 171.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.75 92.54 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.194 0.997 . . . . 0.0 111.602 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.97 -41.39 97.96 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 123.592 0.757 . . . . 0.0 111.86 173.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.18 -39.02 93.45 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.347 0.976 . . . . 0.0 112.671 176.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 45.5 mt -66.46 -50.83 62.01 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.632 1.173 . . . . 0.0 112.079 173.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -57.33 -45.59 84.12 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.363 -0.836 . . . . 0.0 111.786 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -47.47 79.95 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.18 1.792 . . . . 0.0 112.088 172.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 62.9 ttp -57.76 -49.64 75.92 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 118.69 0.677 . . . . 0.0 111.772 174.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -61.31 -40.25 93.5 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 pp -84.0 -29.63 26.81 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 66.2 m -68.65 -44.1 74.84 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.79 1.177 . . . . 0.0 112.316 170.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -127.58 81.28 70.46 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 125.89 1.676 . . . . 0.0 109.72 -174.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -50.1 -27.36 16.84 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.815 3.01 . . . . 0.0 115.193 175.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 2.2 p -51.92 -35.84 46.95 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.78 1.232 . . . . 0.0 113.122 170.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 69.7 p -64.33 -27.82 69.29 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -63.18 -37.26 86.54 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.619 1.099 . . . . 0.0 112.527 177.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.19 -32.27 73.79 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 121.179 -0.951 . . . . 0.0 113.016 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -62.81 -26.35 68.7 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -176.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -156.78 110.85 1.97 Allowed Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 123.446 0.699 . . . . 0.0 109.813 161.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -74.81 -133.77 0.01 OUTLIER 'Trans proline' 0 CA--C 1.549 1.253 0 C-N-CA 123.817 3.012 . . . . 0.0 109.552 171.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 p80 58.32 -11.85 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 127.579 2.352 . . . . 0.0 116.709 -174.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -72.29 114.95 10.95 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.523 1.929 . . . . 0.0 112.418 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -80.67 69.87 7.29 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.326 1.45 . . . . 0.0 111.148 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 36.8 mt -69.54 31.82 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.872 1.669 . . . . 0.0 114.836 -175.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 33.9 m -72.89 7.96 1.77 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.283 2.233 . . . . 0.0 114.962 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 12.5 m170 75.61 124.3 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 129.106 2.963 . . . . 0.0 112.657 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.92 2.04 59.64 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 124.909 1.243 . . . . 0.0 114.986 -175.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -53.98 117.01 2.87 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.835 2.054 . . . . 0.0 114.681 -170.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.72 -37.17 73.06 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.512 1.125 . . . . 0.0 113.373 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -68.17 -31.61 71.28 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 176.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 64.5 t -72.95 -48.34 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 119.897 1.226 . . . . 0.0 110.857 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -60.27 -41.92 94.29 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.338 0.517 . . . . 0.0 111.721 173.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.43 -48.67 80.44 Favored Glycine 0 N--CA 1.469 0.89 0 C-N-CA 124.168 0.889 . . . . 0.0 113.106 175.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -58.71 -43.05 90.0 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.868 1.334 . . . . 0.0 111.681 173.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.84 -50.69 49.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 121.437 -0.79 . . . . 0.0 113.581 170.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -55.06 -45.01 75.26 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.268 1.027 . . . . 0.0 112.201 172.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -63.6 -50.45 69.38 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.876 0.871 . . . . 0.0 112.512 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 80.6 t -54.74 -47.25 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.841 0.746 . . . . 0.0 110.859 174.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . 0.481 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -62.89 -41.29 99.37 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 178.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.96 -38.46 91.19 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.77 0.713 . . . . 0.0 111.394 175.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.22 -30.35 70.78 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 169.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.46 -43.42 94.3 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.894 1.225 . . . . 0.0 111.001 167.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 29.8 m -58.8 -46.39 87.7 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 120.266 1.394 . . . . 0.0 112.662 170.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -30.58 69.96 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.002 -1.061 . . . . 0.0 112.941 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.79 -56.77 16.0 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.269 1.028 . . . . 0.0 110.441 163.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 71.4 t -53.14 -41.54 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.709 1.14 . . . . 0.0 112.674 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.64 -23.88 67.56 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -138.3 29.67 2.45 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.442 1.497 . . . . 0.0 111.87 -172.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 12.9 p -62.76 -30.18 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -162.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -78.02 -15.14 59.19 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 173.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.3 17.5 10.64 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.883 2.473 . . . . 0.0 111.053 -173.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 13.3 ttp -55.91 -29.53 5.91 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 126.359 1.864 . . . . 0.0 115.906 -170.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -50.05 23.39 0.02 OUTLIER 'Trans proline' 0 CA--C 1.553 1.426 1 C-N-CA 126.743 4.962 . . . . 0.0 119.09 161.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -150.18 -36.05 0.16 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.745 2.018 . . . . 0.0 111.014 169.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.77 -33.97 64.82 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 mt -96.83 7.6 46.24 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -175.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 67.3 m -55.47 -38.38 69.02 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 120.672 1.578 . . . . 0.0 114.601 -175.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.09 -32.84 73.43 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.913 -1.117 . . . . 0.0 112.677 172.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 2.3 mt -79.78 -31.0 40.82 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.624 1.17 . . . . 0.0 111.206 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 45.1 t -54.82 -49.62 70.57 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 117.74 -1.124 . . . . 0.0 110.767 162.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -57.19 -36.69 71.13 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.45 1.477 . . . . 0.0 113.572 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -56.76 -62.23 1.88 Allowed 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.023 0.829 . . . . 0.0 110.853 170.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.57 -25.5 66.67 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -178.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.49 -33.2 16.04 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.926 1.239 . . . . 0.0 113.547 -173.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -135.19 2.79 3.08 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 -169.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -135.98 -18.2 1.6 Allowed 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 16.7 mt -141.23 -46.46 0.38 Allowed 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 116.539 2.051 . . . . 0.0 116.539 -172.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 46.46 32.62 1.65 Allowed 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 126.413 1.885 . . . . 0.0 115.708 -176.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 95.3 t -71.3 142.09 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.392 1.077 . . . . 0.0 111.93 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -58.65 131.74 85.74 Favored Pre-proline 0 CA--C 1.554 1.131 0 C-N-CA 125.051 1.34 . . . . 0.0 111.693 172.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -45.22 -19.84 0.4 Allowed 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.765 3.643 . . . . 0.0 116.793 173.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 10.2 p -47.92 -40.71 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 120.105 -1.622 . . . . 0.0 113.402 170.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -63.38 -33.9 76.56 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.198 -0.939 . . . . 0.0 112.379 174.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -57.98 -49.56 76.4 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.449 1.022 . . . . 0.0 109.316 173.345 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -57.89 -40.3 79.94 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.927 0.87 . . . . 0.0 110.978 -174.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.28 -51.12 62.83 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.653 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 52.4 tp -57.67 -48.05 80.58 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.644 -0.66 . . . . 0.0 112.666 176.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 88.1 p -63.58 -43.41 97.08 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.329 0.968 . . . . 0.0 111.681 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -58.51 -51.99 67.55 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.618 0.367 . . . . 0.0 110.633 172.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 92.7 m -60.49 -32.43 71.42 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 36.5 mt -68.5 -48.23 64.94 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.153 0.981 . . . . 0.0 111.809 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 18.1 mt -54.72 -40.57 69.37 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.488 -0.757 . . . . 0.0 110.64 173.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 76.2 t -63.52 -45.73 96.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.04 0.936 . . . . 0.0 112.877 174.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 19.6 p -67.57 -32.23 72.84 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 120.328 1.422 . . . . 0.0 112.446 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.75 -45.14 91.19 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.996 0.816 . . . . 0.0 111.082 169.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.06 -32.87 64.47 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.41 -12.24 61.45 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -128.56 -16.85 4.23 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -173.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.0 mp -114.38 124.49 30.64 Favored Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 124.969 1.308 . . . . 0.0 109.197 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -40.19 -61.03 0.49 Allowed 'Trans proline' 0 C--N 1.358 1.037 1 C-N-CA 125.789 4.326 . . . . 0.0 117.981 -159.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -132.62 40.96 3.23 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 125.321 1.448 . . . . 0.0 108.836 176.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -21.37 6.33 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -164.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -62.85 7.94 0.07 Allowed 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 165.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.82 149.87 5.77 Favored Pre-proline 0 N--CA 1.477 0.911 0 CA-C-N 120.856 1.662 . . . . 0.0 111.268 -178.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 119' ' ' PRO . . . . . 0.456 ' HA ' ' HB ' ' D' ' 33' ' ' VAL . 5.6 Cg_exo -48.95 -40.06 40.29 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.526 2.151 . . . . 0.0 114.784 173.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.02 -60.21 2.35 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 174.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.93 -37.96 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 120.954 -1.091 . . . . 0.0 112.694 -169.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 20.8 t-160 -78.36 -43.71 26.99 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.382 1.473 . . . . 0.0 113.57 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.32 -48.32 76.96 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 119.832 1.196 . . . . 0.0 109.438 172.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 29.3 m -53.74 -63.24 1.21 Allowed 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.572 0.749 . . . . 0.0 112.046 173.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 37.6 mt -61.12 -40.81 95.18 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 120.516 -1.365 . . . . 0.0 113.895 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -64.23 -48.73 74.69 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 120.29 1.404 . . . . 0.0 111.702 177.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -28.24 65.44 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.69 0.677 . . . . 0.0 112.721 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -67.95 -45.57 73.87 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.511 1.051 . . . . 0.0 111.501 169.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.11 -31.2 69.82 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.289 -1.507 . . . . 0.0 111.443 170.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.87 -30.8 65.8 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 172.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 78.9 p -78.71 -42.27 28.81 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.25 -1.531 . . . . 0.0 111.627 170.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 73.4 t -50.41 -54.53 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.659 1.183 . . . . 0.0 109.586 169.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 87.4 p -63.68 -46.71 84.3 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 1.9 m -48.34 -51.73 24.86 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.003 0.82 . . . . 0.0 110.657 173.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.13 -43.39 88.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 123.153 0.581 . . . . 0.0 111.535 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -31.96 65.49 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.928 0.891 . . . . 0.0 112.891 175.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 98.9 m -93.93 -7.97 41.48 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.3 2.24 . . . . 0.0 112.883 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 8.6 t -142.24 77.99 1.6 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.162 1.385 . . . . 0.0 111.49 -171.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -136.93 24.01 3.06 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.73 1.212 . . . . 0.0 113.427 -177.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -72.49 133.53 44.85 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.397 -0.814 . . . . 0.0 110.254 173.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.136 1.774 . . . . 0.0 111.633 173.826 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . 0.4 HG13 ' H ' ' D' ' 2' ' ' HIS 0.313 5.3 p . . . . . 0 N--CA 1.516 2.85 0 CA-C-O 117.004 -1.474 . . . . 0.0 112.95 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 2' ' ' HIS . . . . . 0.4 ' H ' HG13 ' D' ' 1' ' ' VAL . 44.4 m80 20.25 70.68 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 128.212 2.605 . . . . 0.0 115.355 -177.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.41 156.79 12.25 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.198 -177.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.49 147.25 83.35 Favored Pre-proline 0 N--CA 1.477 0.888 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.013 162.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -50.84 -38.46 57.45 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.909 2.406 . . . . 0.0 114.837 175.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -73.72 -36.03 65.16 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.907 0.776 . . . . 0.0 111.942 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -41.22 81.27 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.542 -0.724 . . . . 0.0 111.371 171.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -54.72 -51.3 66.05 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.682 170.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 45.8 m -55.34 -43.06 74.62 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.603 1.092 . . . . 0.0 112.185 174.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.38 -48.08 81.77 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 118.938 0.79 . . . . 0.0 112.966 177.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 3.6 p -69.31 -55.34 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 CA-C-N 119.494 1.043 . . . . 0.0 112.426 174.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -68.54 -34.74 76.39 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.708 -1.245 . . . . 0.0 112.715 -169.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.54 85.66 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.564 1.075 . . . . 0.0 112.127 174.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 tt -68.09 -35.4 78.11 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.33 -0.856 . . . . 0.0 111.008 172.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -32.12 71.94 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 167.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.53 -37.37 93.22 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.189 0.9 . . . . 0.0 114.099 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -90.42 -16.9 28.17 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.462 HG23 HG12 ' D' ' 23' ' ' VAL . 0.3 OUTLIER -58.68 135.39 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.763 0.825 . . . . 0.0 112.65 -167.334 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -87.07 88.12 7.62 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.759 0.824 . . . . 0.0 109.17 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . 0.422 HG12 HD21 ' D' ' 68' ' ' LEU . 70.5 t -52.98 -38.87 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-N 119.553 1.069 . . . . 0.0 113.828 -170.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -45.42 76.69 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 118.97 0.804 . . . . 0.0 112.85 175.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -79.26 -52.8 7.65 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.874 -0.516 . . . . 0.0 110.848 -175.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . 0.462 HG12 HG23 ' D' ' 18' ' ' VAL . 0.3 OUTLIER -61.05 -30.76 48.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.414 0 C-N-CA 123.772 0.829 . . . . 0.0 111.897 175.432 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.46 -45.67 17.69 Favored Glycine 0 C--N 1.341 0.854 0 CA-C-N 119.304 0.956 . . . . 0.0 111.985 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.63 -45.08 97.04 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-N 118.021 0.911 . . . . 0.0 112.52 170.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.16 -29.41 68.28 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-O 118.039 -0.982 . . . . 0.0 112.136 174.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 27' ' ' ALA . . . . . 0.59 ' HA ' HG13 ' D' ' 113' ' ' VAL . . . -68.91 -62.32 1.43 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 121.268 1.849 . . . . 0.0 111.703 172.155 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 17.4 tp -64.06 -37.37 87.19 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.661 -0.649 . . . . 0.0 110.453 -176.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -48.89 -62.75 4.34 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-O 118.18 -1.344 . . . . 0.0 111.985 161.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -50.5 -26.17 4.85 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 120.359 2.08 . . . . 0.0 114.305 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 tt -77.67 -51.25 10.9 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 120.562 1.528 . . . . 0.0 111.523 168.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . 0.447 ' HB3' HD12 ' D' ' 48' ' ' LEU . 5.1 mp -76.46 -9.04 58.35 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 120.885 -1.135 . . . . 0.0 113.115 -176.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 33' ' ' VAL . . . . . 0.456 ' HB ' ' HA ' ' C' ' 119' ' ' PRO . 2.9 m -74.8 -26.58 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 119.846 1.203 . . . . 0.0 114.116 172.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.16 1.51 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 CA-C-N 119.947 1.249 . . . . 0.0 113.845 -166.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.31 42.34 1.25 Allowed Pre-proline 0 CA--C 1.556 1.199 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -162.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 36' ' ' PRO . . . . . 0.405 ' HG2' ' HG1' ' D' ' 38' ' ' THR . 44.4 Cg_endo -73.89 164.24 35.07 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.451 2.101 . . . . 0.0 111.747 177.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -54.31 -32.96 57.76 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.406 1.082 . . . . 0.0 113.438 168.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 38' ' ' THR . . . . . 0.405 ' HG1' ' HG2' ' D' ' 36' ' ' PRO . 16.8 p -57.68 -20.53 34.48 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 120.558 -1.339 . . . . 0.0 113.661 173.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -60.01 -16.79 33.73 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 171.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.23 -41.78 19.1 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 121.468 1.94 . . . . 0.0 112.109 169.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -74.62 3.14 8.29 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 42' ' ' PHE . . . . . 0.406 ' HB2' HD13 ' D' ' 48' ' ' LEU . 6.2 p90 -50.59 -23.07 2.31 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -179.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -50.49 -34.04 23.55 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 171.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.09 6.07 27.06 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 176.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -123.91 23.83 8.49 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.373 1.869 . . . . 0.0 111.284 -174.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.13 -97.34 0.03 OUTLIER Glycine 0 CA--C 1.538 1.517 0 C-N-CA 125.778 1.656 . . . . 0.0 116.137 168.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.81 -94.5 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 125.643 1.577 . . . . 0.0 112.681 -174.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 48' ' ' LEU . . . . . 0.447 HD12 ' HB3' ' D' ' 32' ' ' LEU . 10.2 tt 58.6 -23.44 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 129.187 2.995 . . . . 0.0 117.995 174.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 59.7 p -53.8 -17.15 2.13 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.597 2.359 . . . . 0.0 115.944 -175.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 13.3 p -135.29 159.62 71.11 Favored Pre-proline 0 N--CA 1.471 0.608 0 C-N-CA 125.709 1.604 . . . . 0.0 111.659 166.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.45 -50.17 11.62 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.454 2.77 . . . . 0.0 114.535 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.24 -34.77 75.69 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.534 -0.729 . . . . 0.0 112.072 176.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.19 70.67 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 118.272 -0.87 . . . . 0.0 111.511 176.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 1.3 p -58.78 -31.65 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 CA-C-N 121.303 1.865 . . . . 0.0 114.239 -174.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 6.1 ptp -90.56 -17.94 26.09 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 177.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.79 -14.07 55.7 Favored Glycine 0 CA--C 1.54 1.649 0 C-N-CA 124.216 0.912 . . . . 0.0 114.439 170.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -65.23 120.9 71.32 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 127.014 2.126 . . . . 0.0 113.381 -173.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -63.4 -32.5 71.61 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.815 2.344 . . . . 0.0 112.764 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -70.43 -38.94 74.63 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.969 0.907 . . . . 0.0 112.301 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.82 -41.84 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.528 -0.733 . . . . 0.0 111.077 171.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -66.07 -43.88 86.1 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.479 1.036 . . . . 0.0 111.672 175.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.53 -50.37 72.96 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.799 1.181 . . . . 0.0 113.33 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -64.5 -35.86 82.33 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 120.837 -1.165 . . . . 0.0 111.707 173.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.52 -48.51 83.94 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 124.415 1.007 . . . . 0.0 112.716 173.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -58.35 -39.02 78.37 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.496 1.118 . . . . 0.0 111.977 171.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -66.8 -52.94 38.05 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.236 1.015 . . . . 0.0 113.471 175.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 4.4 m -59.94 -38.57 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 120.2 1.364 . . . . 0.0 111.633 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . 0.422 HD21 HG12 ' D' ' 20' ' ' VAL . 7.0 tt -69.08 -45.06 71.25 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.281 -0.887 . . . . 0.0 111.912 175.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.74 -41.66 75.77 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 124.884 1.231 . . . . 0.0 112.022 177.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.08 -46.18 90.21 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 171.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -55.97 -41.46 74.8 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 119.628 1.104 . . . . 0.0 112.134 170.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -63.8 -44.08 94.36 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.181 0.993 . . . . 0.0 112.138 176.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.18 -30.21 66.25 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.602 1.161 . . . . 0.0 112.027 170.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.51 -63.19 5.45 Favored Glycine 0 C--N 1.341 0.83 0 C-N-CA 124.864 1.221 . . . . 0.0 110.733 168.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.4 -32.18 62.45 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.776 1.288 . . . . 0.0 113.87 177.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.72 -28.9 68.05 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 173.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -142.82 44.95 1.59 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.43 1.492 . . . . 0.0 113.244 -169.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.68 -19.57 58.79 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.699 -1.25 . . . . 0.0 114.029 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.93 -40.54 22.31 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.648 1.979 . . . . 0.0 113.927 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -157.16 134.48 10.49 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.333 1.053 . . . . 0.0 111.204 169.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 47.5 mt -104.2 -43.43 5.24 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.472 0.709 . . . . 0.0 112.201 -173.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -57.55 -24.9 58.75 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.507 1.523 . . . . 0.0 113.954 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.79 4.0 59.19 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 126.216 1.865 . . . . 0.0 115.554 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.25 -19.85 5.42 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 119.1 1.45 . . . . 0.0 113.376 173.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -106.71 13.17 28.38 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.668 1.187 . . . . 0.0 113.966 174.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.34 -40.2 64.71 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.833 1.197 . . . . 0.0 113.754 -177.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 6.2 p -64.39 -42.43 96.13 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.315 1.046 . . . . 0.0 112.666 173.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 15.5 mt -70.13 -32.7 70.83 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.615 -0.678 . . . . 0.0 111.95 175.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 89' ' ' SER . . . . . 0.568 ' HG ' ' HB3' ' D' ' 143' ' ' HIS . 7.3 t -63.08 -46.49 87.18 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.999 0.92 . . . . 0.0 111.359 172.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.83 -37.78 88.15 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.112 -0.992 . . . . 0.0 112.716 171.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.71 -56.59 18.03 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.489 -1.382 . . . . 0.0 111.9 174.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -74.07 -21.8 59.78 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -174.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 38.2 t -97.58 -53.39 3.45 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 174.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -85.63 -38.72 18.09 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.669 1.577 . . . . 0.0 113.254 -171.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -85.37 -28.65 25.03 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 77.2 mt -119.42 -39.7 2.86 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -174.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 50.89 18.16 0.49 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 127.683 2.393 . . . . 0.0 116.348 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 1.2 m -52.16 140.96 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.931 1.692 . . . . 0.0 112.675 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.0 136.24 96.59 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-O 119.091 -0.481 . . . . 0.0 112.239 -175.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -48.67 -35.42 29.81 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 124.235 3.29 . . . . 0.0 116.673 -175.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -50.12 -30.54 11.35 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.286 -1.509 . . . . 0.0 113.279 173.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -62.79 -37.73 87.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.295 1.038 . . . . 0.0 111.548 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 103' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' D' ' 104' ' ' ARG . 0.4 OUTLIER -61.55 -46.18 91.01 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.601 1.091 . . . . 0.0 110.628 172.808 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 104' ' ' ARG . . . . . 0.408 ' N ' ' CD1' ' D' ' 103' ' ' PHE . 8.3 tpm_? -64.73 -36.96 85.97 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.974 0.909 . . . . 0.0 110.101 -173.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.78 -47.54 85.85 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.09 0.956 . . . . 0.0 112.007 170.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -38.19 85.53 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.581 1.082 . . . . 0.0 111.355 176.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -64.05 -54.44 30.4 Favored Glycine 0 N--CA 1.464 0.507 0 O-C-N 121.569 -0.707 . . . . 0.0 113.227 174.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -58.11 -31.99 67.67 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 121.96 0.886 . . . . 0.0 111.557 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 6.8 t -63.67 -57.06 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 120.85 -1.156 . . . . 0.0 112.008 167.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 48.3 tp -56.43 -45.46 80.75 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.383 0.992 . . . . 0.0 111.803 -177.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 2.6 m -61.59 -26.76 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 121.447 -0.783 . . . . 0.0 112.45 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 20.1 t -94.2 -35.08 12.65 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 -172.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 113' ' ' VAL . . . . . 0.59 HG13 ' HA ' ' D' ' 27' ' ' ALA . 0.2 OUTLIER -55.88 -38.52 52.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 CA-C-N 120.213 1.37 . . . . 0.0 110.246 167.269 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 35.7 mt -63.93 -43.45 95.85 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 118.177 0.444 . . . . 0.0 111.405 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.1 -21.93 65.39 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 170.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -60.06 2.49 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.247 0.93 . . . . 0.0 111.01 167.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -25.81 66.57 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.564 0.62 . . . . 0.0 112.537 -170.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -129.87 39.14 3.73 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.0 1.72 . . . . 0.0 110.32 -175.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -48.97 -40.49 27.59 Favored Glycine 0 N--CA 1.475 1.257 0 C-N-CA 125.145 1.355 . . . . 0.0 114.584 178.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -9.7 5.06 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 171.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -134.82 11.25 3.66 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.225 1.81 . . . . 0.0 113.052 -176.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.16 27.1 0.06 Allowed 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 -168.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 19.2 p -43.54 144.82 1.23 Allowed Pre-proline 0 N--CA 1.486 1.328 0 CA-C-N 120.292 1.405 . . . . 0.0 114.182 -159.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -41.91 -47.35 6.54 Favored 'Trans proline' 0 CA--C 1.547 1.125 0 C-N-CA 122.835 2.357 . . . . 0.0 115.389 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.47 -23.7 31.84 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 121.828 1.685 . . . . 0.0 115.26 173.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -47.93 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 121.194 1.816 . . . . 0.0 110.397 173.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -64.44 -43.83 93.05 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.311 -0.868 . . . . 0.0 111.435 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.57 -32.65 69.13 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.463 0.705 . . . . 0.0 112.581 174.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.56 -52.29 22.66 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.577 0.751 . . . . 0.0 110.448 176.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -53.66 -46.78 70.7 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.013 0.525 . . . . 0.0 112.043 172.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -59.97 -39.09 84.45 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 117.837 -1.077 . . . . 0.0 112.961 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.22 -40.08 90.05 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 120.376 1.444 . . . . 0.0 113.329 172.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 17.8 t -65.92 -47.29 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 CA-C-N 119.616 1.098 . . . . 0.0 111.024 174.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.64 -40.84 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.27 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.86 -44.68 86.75 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.934 1.243 . . . . 0.0 111.185 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.96 -54.54 36.66 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 121.846 -0.534 . . . . 0.0 113.007 171.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.76 -44.35 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 118.384 1.092 . . . . 0.0 110.361 -177.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.92 -42.0 95.07 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.728 1.211 . . . . 0.0 113.222 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -64.44 -19.48 65.57 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.367 0.985 . . . . 0.0 112.403 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.98 -42.28 24.23 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.058 -1.026 . . . . 0.0 111.905 165.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.32 -27.75 69.26 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 120.497 -1.377 . . . . 0.0 112.836 174.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -75.06 -15.55 60.62 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.415 1.886 . . . . 0.0 114.072 172.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 143' ' ' HIS . . . . . 0.568 ' HB3' ' HG ' ' D' ' 89' ' ' SER . 7.3 t60 -52.76 -44.74 66.7 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 120.794 1.634 . . . . 0.0 114.175 -173.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -69.14 -14.87 63.24 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 174.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -102.3 -19.52 14.99 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 126.701 2.0 . . . . 0.0 113.2 178.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . 0.28 0.2 OUTLIER . . . . . 0 C--O 1.254 1.33 0 C-N-CA 128.718 2.807 . . . . 0.0 115.028 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.509 2.495 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.5 mt -137.5 -176.86 4.55 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 119.946 -1.722 . . . . 0.0 111.126 -169.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.95 167.83 16.44 Favored Pre-proline 0 N--CA 1.487 1.375 0 C-N-CA 124.691 1.196 . . . . 0.0 112.718 -176.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.53 -50.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.272 1.981 . . . . 0.0 114.525 -169.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.25 -35.14 73.6 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -169.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -63.5 -37.71 88.33 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.127 -0.983 . . . . 0.0 112.341 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -59.17 -42.44 90.81 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.718 1.145 . . . . 0.0 111.945 173.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.8 m -59.39 -40.66 87.3 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.045 0.538 . . . . 0.0 111.12 174.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -67.96 -36.91 80.87 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.758 -0.588 . . . . 0.0 112.206 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.7 t -61.08 -48.07 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 119.435 1.016 . . . . 0.0 111.244 169.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.14 -44.29 97.56 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.669 0.668 . . . . 0.0 111.812 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.42 -52.96 63.41 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.427 0.691 . . . . 0.0 111.448 174.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.79 -53.82 52.04 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.14 0.976 . . . . 0.0 112.546 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.2 t-105 -63.39 -30.04 71.24 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.327 -0.858 . . . . 0.0 112.919 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.73 -36.68 90.62 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.456 1.027 . . . . 0.0 113.221 169.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -73.95 -36.81 64.66 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 118.456 1.128 . . . . 0.0 111.468 172.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.34 -54.4 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.777 0.831 . . . . 0.0 111.268 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.13 -128.06 4.41 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.336 0.97 . . . . 0.0 113.863 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.07 -22.44 50.37 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -72.31 -7.0 47.17 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.79 -44.2 63.35 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.789 -1.194 . . . . 0.0 112.772 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.04 -46.07 94.8 Favored Glycine 0 N--CA 1.469 0.895 0 C-N-CA 123.812 0.72 . . . . 0.0 113.829 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -67.86 -36.93 81.16 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.491 1.145 . . . . 0.0 112.05 177.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -66.86 -37.59 84.74 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.071 -1.018 . . . . 0.0 112.585 173.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.67 -44.01 90.62 Favored Glycine 0 CA--C 1.532 1.139 0 O-C-N 121.098 -1.001 . . . . 0.0 112.286 173.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.72 -50.67 71.5 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.161 0.984 . . . . 0.0 110.971 174.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -65.26 -24.77 67.41 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.092 0.957 . . . . 0.0 113.331 177.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.36 -38.6 49.81 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.499 1.045 . . . . 0.0 111.821 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.4 mt -60.93 -44.05 97.79 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.505 0.722 . . . . 0.0 110.727 169.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -61.09 -49.56 76.82 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.351 0.66 . . . . 0.0 112.203 173.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -60.46 -36.88 79.29 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.654 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.8 ttp -55.38 -52.23 64.23 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.947 1.249 . . . . 0.0 111.349 169.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -55.97 27.87 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.02 0.373 . . . . 0.0 111.648 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.11 -29.68 69.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.625 0.648 . . . . 0.0 112.025 -173.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.2 t -72.31 -24.11 61.27 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 177.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -150.86 67.35 7.8 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 123.799 0.84 . . . . 0.0 110.247 -172.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -51.28 -27.8 24.44 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 123.808 3.005 . . . . 0.0 115.329 -171.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.43 -33.8 14.97 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.758 1.623 . . . . 0.0 114.39 172.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.5 p -70.9 -17.99 62.69 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 120.901 1.682 . . . . 0.0 114.295 175.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -57.73 -31.05 66.05 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 120.771 1.623 . . . . 0.0 112.958 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 t -73.21 -18.22 61.27 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.763 1.024 . . . . 0.0 113.763 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -32.76 74.36 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 120.695 -1.253 . . . . 0.0 112.208 177.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -147.97 78.01 9.86 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 125.656 1.582 . . . . 0.0 111.443 175.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -77.68 -0.9 11.08 Favored 'Trans proline' 0 CA--C 1.548 1.195 0 C-N-CA 123.653 2.902 . . . . 0.0 114.383 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.03 0.17 0.43 Allowed 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 -176.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.93 147.61 42.51 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.248 1.419 . . . . 0.0 112.824 -176.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -76.93 152.06 35.47 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.485 0.714 . . . . 0.0 110.401 167.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -154.45 13.87 0.43 Allowed 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 -174.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -86.63 56.41 3.99 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.119 1.368 . . . . 0.0 112.921 -173.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 68.97 118.18 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 127.566 2.346 . . . . 0.0 113.623 -177.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.33 14.08 74.99 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 121.242 -0.911 . . . . 0.0 115.064 174.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 t -58.49 133.61 55.95 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.338 1.055 . . . . 0.0 112.921 178.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.66 -27.67 68.85 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 173.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -80.64 -40.25 25.94 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.615 -0.678 . . . . 0.0 111.688 175.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.3 t -66.22 -34.01 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 121.463 -0.773 . . . . 0.0 111.794 175.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -59.87 -38.19 81.46 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 120.004 1.275 . . . . 0.0 112.718 174.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.77 -53.19 6.57 Favored Glycine 0 N--CA 1.47 0.922 0 C-N-CA 124.351 0.976 . . . . 0.0 111.854 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.36 -33.8 68.15 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.761 -0.847 . . . . 0.0 112.117 175.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -61.73 -50.66 63.81 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 125.034 1.302 . . . . 0.0 113.801 170.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -56.77 -36.13 69.46 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 118.958 1.379 . . . . 0.0 113.232 170.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -66.28 -51.76 54.26 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.005 0.82 . . . . 0.0 112.889 173.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 77.8 t -56.78 -43.35 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 CA-C-N 119.42 1.009 . . . . 0.0 111.093 173.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.57 80.78 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.133 0.973 . . . . 0.0 113.237 174.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.98 -38.82 87.34 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.96 0.8 . . . . 0.0 112.228 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.49 94.21 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 170.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.18 -44.89 88.23 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 118.818 -0.61 . . . . 0.0 111.581 172.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.9 m -57.28 -49.27 76.59 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.702 1.137 . . . . 0.0 111.9 172.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -21.93 65.52 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 120.089 1.313 . . . . 0.0 113.03 177.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.23 -51.9 18.87 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 119.472 1.033 . . . . 0.0 110.418 167.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.1 t -54.55 -46.94 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.821 1.191 . . . . 0.0 111.543 177.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.38 -21.43 50.2 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.024 1.329 . . . . 0.0 113.961 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -143.24 35.67 1.35 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.564 1.146 . . . . 0.0 111.214 -176.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.05 -23.77 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 119.602 -1.936 . . . . 0.0 116.001 -162.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -119.1 27.48 8.82 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.61 1.164 . . . . 0.0 112.402 170.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -153.68 29.02 0.48 Allowed 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 129.339 3.055 . . . . 0.0 111.661 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.9 ptt? -101.22 18.07 0.05 OUTLIER Pre-proline 0 N--CA 1.482 1.132 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 -176.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -64.86 -41.59 17.48 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 CA-C-N 123.459 2.271 . . . . 0.0 113.743 -161.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -84.82 -19.37 32.6 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.127 0.971 . . . . 0.0 112.909 171.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.43 -10.0 52.31 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -173.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.0 mt -107.39 5.26 27.19 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 120.958 -1.088 . . . . 0.0 112.984 168.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.6 m -59.37 -35.05 73.18 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.572 -1.33 . . . . 0.0 113.344 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.23 -16.22 42.84 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 172.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mt -97.29 -38.6 9.6 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.336 1.454 . . . . 0.0 110.68 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.5 t -52.21 -42.57 63.66 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.571 1.148 . . . . 0.0 111.418 161.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.64 -53.83 41.62 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.673 1.189 . . . . 0.0 111.949 170.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -54.52 -53.31 56.14 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.319 0.963 . . . . 0.0 110.983 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -52.89 -43.52 66.23 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.84 1.256 . . . . 0.0 113.607 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.8 -31.91 14.18 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -174.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -84.57 -45.47 12.53 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.169 0.988 . . . . 0.0 112.837 -175.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -147.66 52.34 1.05 Allowed 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -178.407 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.37 -62.08 0.84 Allowed 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.391 -0.818 . . . . 0.0 111.158 169.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 57.32 18.27 4.23 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 124.661 1.184 . . . . 0.0 113.623 -175.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.3 t -83.14 143.04 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 126.582 1.953 . . . . 0.0 111.655 -173.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -58.78 143.3 82.89 Favored Pre-proline 0 CA--C 1.55 0.978 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 172.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -50.73 -16.99 2.7 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 124.311 3.341 . . . . 0.0 116.574 173.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.8 p -47.92 -41.01 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 119.735 1.152 . . . . 0.0 112.995 171.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -65.36 -34.08 77.48 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.429 -0.796 . . . . 0.0 112.565 175.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -59.34 -51.81 68.32 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 119.625 1.102 . . . . 0.0 109.104 170.056 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -55.83 -51.71 66.54 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.333 0.587 . . . . 0.0 109.899 -175.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.3 mt -58.85 -50.1 75.25 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 124.006 0.922 . . . . 0.0 112.2 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.53 -41.46 93.07 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.83 1.195 . . . . 0.0 112.61 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.9 m -66.0 -46.05 79.36 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.167 1.349 . . . . 0.0 112.886 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -61.21 -43.81 98.28 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.505 1.048 . . . . 0.0 111.233 173.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 91.1 m -67.25 -34.12 76.78 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.196 -0.94 . . . . 0.0 113.489 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.4 mt -64.55 -47.12 79.93 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.042 1.292 . . . . 0.0 111.174 170.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.7 mt -53.91 -42.59 68.91 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 121.69 -0.631 . . . . 0.0 111.381 171.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 37.1 t -69.35 -38.12 76.81 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 117.749 -1.119 . . . . 0.0 113.593 177.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.6 p -73.05 -39.37 65.99 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 121.839 2.108 . . . . 0.0 112.477 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.73 -59.32 5.19 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 167.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -47.65 -47.21 29.39 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.8 -20.02 59.95 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 -174.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -131.17 -16.36 3.17 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -172.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.1 75.63 53.44 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 129.891 3.277 . . . . 0.0 106.995 170.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -44.62 146.03 2.4 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.879 3.053 . . . . 0.0 114.413 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.41 16.91 0.05 Allowed 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 176.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 52.01 19.02 0.92 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.931 2.092 . . . . 0.0 114.208 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.6 p90 44.2 8.41 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 128.997 2.919 . . . . 0.0 117.207 -166.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.0 144.03 81.7 Favored Pre-proline 0 N--CA 1.478 0.93 0 O-C-N 120.513 -1.367 . . . . 0.0 111.547 -176.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -64.34 -33.34 59.19 Favored 'Trans proline' 0 CA--C 1.536 0.59 0 C-N-CA 122.519 2.146 . . . . 0.0 112.422 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.0 -39.45 72.4 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.519 -0.738 . . . . 0.0 112.423 176.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.5 t -71.63 -38.65 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-N 119.879 1.218 . . . . 0.0 111.293 174.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -61.84 -34.39 75.88 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.248 -0.908 . . . . 0.0 113.235 172.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.27 -57.14 9.19 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.495 0.589 . . . . 0.0 110.151 165.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.4 p -58.62 -55.45 34.9 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 117.687 -1.149 . . . . 0.0 113.445 -165.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.34 -43.69 97.01 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 120.11 1.323 . . . . 0.0 112.203 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.18 -51.34 31.89 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.163 0.585 . . . . 0.0 111.387 -175.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -35.84 74.63 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.063 0.545 . . . . 0.0 111.321 169.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -67.61 -44.82 77.15 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 119.701 1.137 . . . . 0.0 111.129 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.86 -28.97 68.77 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 120.465 1.484 . . . . 0.0 111.595 173.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.26 97.13 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 118.131 -0.938 . . . . 0.0 113.243 166.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 94.1 p -76.55 -35.49 58.21 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 121.535 1.971 . . . . 0.0 113.795 176.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 95.8 t -54.66 -53.59 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 119.495 1.043 . . . . 0.0 108.963 165.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.0 t -52.39 -60.34 3.34 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.907 173.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 28.4 m -51.4 -47.71 62.85 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 117.893 -1.051 . . . . 0.0 112.554 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 81.5 t -70.93 -38.48 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-N 120.417 1.462 . . . . 0.0 111.972 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.84 -41.74 78.45 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 120.27 1.395 . . . . 0.0 110.312 168.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 69.9 p -92.06 31.16 1.3 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.058 1.743 . . . . 0.0 113.596 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.3 p -169.02 -154.76 0.13 Allowed 'General case' 0 CA--C 1.545 0.784 0 O-C-N 120.443 -1.41 . . . . 0.0 111.285 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.408 ' HB2' ' HB2' ' C' ' 139' ' ' LYS . 10.0 tmtt? -142.62 -53.16 0.4 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 153.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.66 157.34 27.48 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -170.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.246 0 C-N-CA 125.982 1.713 . . . . 0.0 114.745 -164.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.315 7.4 p . . . . . 0 N--CA 1.511 2.604 0 CA-C-O 117.58 -1.2 . . . . 0.0 112.979 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 5.2 t60 35.18 74.03 0.07 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.075 2.15 . . . . 0.0 115.58 178.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 68.3 mt -54.43 122.54 10.69 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.318 -0.864 . . . . 0.0 111.37 176.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 63.6 m -52.55 132.47 45.24 Favored Pre-proline 0 N--CA 1.478 0.968 0 CA-C-O 117.291 -1.338 . . . . 0.0 109.523 168.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -48.72 -41.62 37.88 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.445 2.764 . . . . 0.0 116.602 -171.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.41 -36.81 79.63 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.297 -0.877 . . . . 0.0 112.382 176.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.11 -39.54 75.42 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.434 -0.791 . . . . 0.0 111.926 172.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.13 -47.21 78.59 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 117.526 -1.225 . . . . 0.0 110.386 167.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.0 t -56.8 -47.04 81.13 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.897 1.226 . . . . 0.0 111.611 175.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.87 -57.28 11.52 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.499 1.12 . . . . 0.0 113.826 177.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.96 -49.83 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 119.107 0.867 . . . . 0.0 111.555 176.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.411 ' HG1' HD22 ' B' ' 75' ' ' LEU . 17.2 m -66.42 -35.53 80.54 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.807 1.185 . . . . 0.0 112.154 -167.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.84 -38.01 87.75 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.463 1.029 . . . . 0.0 112.459 172.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 tt -70.46 -35.05 73.1 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.364 -0.835 . . . . 0.0 111.377 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -36.57 75.36 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.44 1.096 . . . . 0.0 112.9 166.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.46 -41.45 98.63 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.799 1.19 . . . . 0.0 113.957 175.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -87.3 -16.91 33.74 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.13 131.21 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.939 1.296 . . . . 0.0 111.814 -178.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -88.33 77.71 8.13 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.596 1.158 . . . . 0.0 109.861 -177.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 62.0 t -49.84 -38.89 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 124.731 1.212 . . . . 0.0 113.731 -169.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -13.57 62.37 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.894 1.278 . . . . 0.0 114.045 -178.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -124.87 -50.03 1.72 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.916 1.286 . . . . 0.0 111.198 -176.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.85 -29.56 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.107 -0.996 . . . . 0.0 112.846 173.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.65 -40.01 11.42 Favored Glycine 0 N--CA 1.47 0.958 0 O-C-N 121.344 -0.848 . . . . 0.0 112.715 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.96 -43.06 99.87 Favored Glycine 0 N--CA 1.476 1.321 0 CA-C-N 118.131 0.966 . . . . 0.0 112.02 169.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -56.57 -56.54 20.0 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 124.42 1.088 . . . . 0.0 111.13 166.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.51 94.55 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 121.351 1.887 . . . . 0.0 114.344 -175.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 tp -69.51 -49.74 51.78 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.096 0.862 . . . . 0.0 111.745 176.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.63 -39.62 96.79 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-N 118.263 0.483 . . . . 0.0 112.232 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -54.52 -45.73 73.41 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 117.133 -1.413 . . . . 0.0 112.01 172.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.26 -49.06 17.8 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.918 1.236 . . . . 0.0 112.12 -177.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.53 -44.39 96.47 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.983 0.913 . . . . 0.0 112.706 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -78.14 -27.87 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 O-C-N 121.408 -0.808 . . . . 0.0 112.576 -177.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 19.2 t -67.77 -46.44 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 126.663 1.985 . . . . 0.0 111.049 175.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -133.74 83.75 46.64 Favored Pre-proline 0 CA--C 1.541 0.611 0 C-N-CA 124.61 1.164 . . . . 0.0 110.483 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -50.18 -18.65 3.51 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 124.613 3.542 . . . . 0.0 117.091 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 -60.26 -33.73 72.72 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.129 1.331 . . . . 0.0 112.945 170.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 73.9 p -62.96 -20.84 65.63 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 15.6 tm0? -53.42 -30.75 41.95 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.976 0.91 . . . . 0.0 113.136 167.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -60.02 -15.71 24.91 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 120.84 1.654 . . . . 0.0 114.339 175.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -108.82 1.61 21.05 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.989 1.716 . . . . 0.0 113.344 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -53.33 59.47 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.156 1.344 . . . . 0.0 112.513 -173.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 26.13 5.15 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.392 1 C-N-CA 134.585 5.154 . . . . 0.0 120.677 -176.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -162.48 -28.43 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.928 2.091 . . . . 0.0 113.007 -169.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -52.36 -32.55 38.88 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 176.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.56 159.51 17.32 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.859 1.218 . . . . 0.0 114.891 175.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 49.5 t0 42.5 -98.53 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 127.028 2.131 . . . . 0.0 114.078 -173.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 47.59 9.93 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 118.972 2.953 . . . . 0.0 118.972 176.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -57.71 -22.18 44.85 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -172.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' THR . . . . . 0.68 ' HG1' ' H ' ' B' ' 53' ' ' ALA . 69.3 p -134.54 162.45 57.66 Favored Pre-proline 0 N--CA 1.471 0.586 0 C-N-CA 126.205 1.802 . . . . 0.0 110.573 171.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -50.06 -40.72 50.25 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.104 2.536 . . . . 0.0 114.263 167.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -62.75 -44.51 96.01 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.482 0.713 . . . . 0.0 111.795 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.68 ' H ' ' HG1' ' B' ' 50' ' ' THR . . . -62.86 -45.02 94.52 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.616 0.766 . . . . 0.0 112.796 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -66.21 -37.65 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 O-C-N 120.988 -1.07 . . . . 0.0 112.781 -177.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 3.0 ttm -79.64 -12.93 59.81 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.69 -21.86 10.04 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.074 1.321 . . . . 0.0 115.11 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -55.16 117.15 13.4 Favored Pre-proline 0 CA--C 1.554 1.13 0 CA-C-N 119.221 1.51 . . . . 0.0 111.893 177.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -51.35 -40.28 62.08 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 124.072 3.181 . . . . 0.0 115.159 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -26.16 61.53 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.038 -1.038 . . . . 0.0 112.514 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 97.7 t -69.13 -33.4 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 119.488 1.04 . . . . 0.0 111.456 169.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -64.71 -44.81 89.04 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.457 1.481 . . . . 0.0 111.746 168.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.08 -49.42 77.72 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 118.776 0.717 . . . . 0.0 112.804 174.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -67.12 -28.29 68.03 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.691 -1.255 . . . . 0.0 112.195 174.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.73 -49.07 82.52 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 125.815 1.674 . . . . 0.0 113.094 168.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -58.55 -40.19 82.32 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.992 -0.711 . . . . 0.0 111.564 168.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -63.77 -51.82 63.11 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.326 1.05 . . . . 0.0 112.639 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 13.1 p -62.51 -46.62 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 119.273 0.942 . . . . 0.0 112.317 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 tt -69.39 -37.38 77.49 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.508 -0.745 . . . . 0.0 110.866 177.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.8 -43.92 48.24 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 125.262 1.41 . . . . 0.0 112.718 170.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.67 80.41 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 118.733 1.266 . . . . 0.0 112.428 172.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -59.01 -37.02 75.93 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.285 -1.51 . . . . 0.0 113.279 172.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.3 t -67.86 -43.92 78.31 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.978 1.311 . . . . 0.0 112.884 175.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -56.59 -37.42 70.61 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.998 0.919 . . . . 0.0 111.225 168.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.16 -57.61 18.29 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 123.429 0.538 . . . . 0.0 112.294 170.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.411 HD22 ' HG1' ' B' ' 12' ' ' THR . 10.7 mt -57.94 -24.26 57.16 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 176.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.47 -19.73 27.58 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.573 1.549 . . . . 0.0 114.824 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -141.19 41.04 1.78 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.688 1.595 . . . . 0.0 112.764 -172.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 95.8 mt -55.8 -19.19 10.49 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 120.634 -1.291 . . . . 0.0 114.222 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -52.69 -42.06 64.45 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.816 1.646 . . . . 0.0 113.186 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -153.73 113.49 3.85 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.691 1.596 . . . . 0.0 110.212 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 88.5 mt -94.32 2.43 55.84 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.253 1.021 . . . . 0.0 113.453 176.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -87.21 -53.24 4.95 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.525 -1.359 . . . . 0.0 112.443 -174.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.18 -36.77 71.71 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.605 0.622 . . . . 0.0 113.467 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.8 p -69.31 -12.64 61.83 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.231 1.813 . . . . 0.0 114.486 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -130.03 9.65 5.33 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.191 1.396 . . . . 0.0 112.912 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.37 -34.51 70.77 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 -170.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 21.9 p -65.81 -39.31 90.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.996 0.918 . . . . 0.0 112.018 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 53.0 mt -73.65 -40.77 63.49 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.755 1.222 . . . . 0.0 111.638 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 98.6 p -64.43 -41.52 96.54 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.781 1.173 . . . . 0.0 111.445 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.2 -48.57 79.94 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.382 0.673 . . . . 0.0 112.67 170.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.6 tp -51.27 -55.16 19.69 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.645 0.778 . . . . 0.0 111.828 173.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -74.72 -31.04 61.73 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.096 -1.003 . . . . 0.0 113.329 -173.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 85.2 m -78.66 -39.03 38.05 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.6 1.091 . . . . 0.0 113.799 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -107.65 -24.49 11.72 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -169.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -24.86 19.76 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 174.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 32.0 mt -128.23 -44.81 1.4 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.515 1.126 . . . . 0.0 113.585 -172.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 15.2 t60 55.97 22.32 5.69 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 127.659 2.383 . . . . 0.0 116.39 -176.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 23.9 m -61.13 154.23 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 120.733 -1.229 . . . . 0.0 112.595 173.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.03 157.58 86.8 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 127.9 2.48 . . . . 0.0 113.08 -176.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.02 -41.24 40.62 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 124.646 3.564 . . . . 0.0 115.204 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -61.07 -30.11 70.14 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.923 -1.11 . . . . 0.0 113.13 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -62.7 -41.02 98.91 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.13 0.877 . . . . 0.0 111.388 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -65.49 -46.78 78.38 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.557 0.743 . . . . 0.0 110.325 174.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -55.45 -43.8 75.75 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.076 0.55 . . . . 0.0 110.961 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 34.9 mt -58.37 -45.08 88.92 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.015 1.326 . . . . 0.0 113.431 175.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 tt -58.88 -46.58 87.51 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.593 1.088 . . . . 0.0 110.534 173.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.12 -38.44 95.58 Favored Glycine 0 CA--C 1.534 1.277 0 O-C-N 121.107 -0.996 . . . . 0.0 113.929 174.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -63.44 -39.93 95.79 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.652 1.226 . . . . 0.0 111.803 174.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.54 -54.21 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.447 -0.783 . . . . 0.0 110.708 167.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 45.9 tp -50.98 -53.57 32.05 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.375 1.07 . . . . 0.0 111.944 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 24.7 m -60.03 -35.73 62.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 118.928 0.785 . . . . 0.0 112.564 177.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 24.3 t -64.3 -38.27 90.45 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.784 0.72 . . . . 0.0 111.719 178.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 1.9 m -67.93 -43.69 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.05 -1.031 . . . . 0.0 111.46 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -38.43 84.44 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.585 -0.697 . . . . 0.0 111.595 172.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.66 -21.44 62.8 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.146 0.884 . . . . 0.0 112.895 172.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -63.11 1.46 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.493 0.717 . . . . 0.0 111.559 166.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -66.4 -27.43 67.84 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 119.568 1.077 . . . . 0.0 113.753 -170.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -114.58 28.13 8.95 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.185 1.794 . . . . 0.0 111.072 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.87 -36.92 51.65 Favored Glycine 0 N--CA 1.472 1.085 0 C-N-CA 124.763 1.173 . . . . 0.0 115.396 -175.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -65.39 -7.18 12.6 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.531 1.533 . . . . 0.0 114.66 173.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -126.27 22.73 7.12 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.173 1.789 . . . . 0.0 111.949 -168.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -59.65 80.62 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 127.299 2.24 . . . . 0.0 113.922 175.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.92 148.59 87.67 Favored Pre-proline 0 N--CA 1.482 1.133 0 O-C-N 120.231 -1.543 . . . . 0.0 111.588 176.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . 0.439 ' CB ' ' HD3' ' B' ' 125' ' ' PRO 0.364 12.5 Cg_exo -33.37 -93.54 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 2.011 1 C-N-CA 126.865 5.043 . . . . 0.0 118.199 -173.191 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . 0.439 ' HD3' ' CB ' ' B' ' 124' ' ' PRO . 70.6 Cg_exo -70.13 17.82 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 CA-C-N 124.576 2.67 . . . . 0.0 118.585 169.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 2.4 p -53.91 -42.96 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-N 123.261 2.755 . . . . 0.0 113.871 -167.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -64.16 -41.36 97.17 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.245 -0.909 . . . . 0.0 111.802 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.74 -46.14 91.58 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.437 1.095 . . . . 0.0 111.789 174.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.67 95.95 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.288 1.035 . . . . 0.0 111.088 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -59.77 -52.29 66.12 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 118.591 -0.718 . . . . 0.0 112.415 168.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -38.04 64.83 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.839 1.2 . . . . 0.0 112.505 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -61.69 -51.86 66.67 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.796 1.239 . . . . 0.0 113.378 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.4 -36.29 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 CA-C-N 120.041 1.291 . . . . 0.0 113.018 175.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 26.1 t -59.13 -45.6 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.949 1.299 . . . . 0.0 111.394 173.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.11 94.5 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.124 0.875 . . . . 0.0 111.774 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.65 -50.52 64.64 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 121.851 -0.531 . . . . 0.0 112.827 170.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 33.1 t -61.04 -44.59 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 117.98 0.89 . . . . 0.0 112.277 175.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -57.7 -49.73 75.54 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.32 0.964 . . . . 0.0 111.969 175.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.4 -36.88 85.18 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.167 0.587 . . . . 0.0 112.184 176.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.65 95.96 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.416 -0.802 . . . . 0.0 112.63 172.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 8.6 mt -68.25 -31.95 71.8 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 120.599 -1.313 . . . . 0.0 112.202 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.46 -6.65 41.95 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 169.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -56.31 -41.49 76.05 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.149 -1.595 . . . . 0.0 113.188 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -70.31 5.7 1.63 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.316 1.446 . . . . 0.0 114.838 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -58.69 -18.13 28.41 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 120.387 1.449 . . . . 0.0 113.628 167.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 3.3 p80 . . . . . 0 C--O 1.255 1.37 0 C-N-CA 125.502 1.521 . . . . 0.0 114.947 176.93 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.51 2.551 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 45.2 mt -137.53 -176.93 4.57 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 119.967 -1.708 . . . . 0.0 111.212 -169.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.91 167.93 16.11 Favored Pre-proline 0 N--CA 1.487 1.384 0 C-N-CA 124.689 1.196 . . . . 0.0 112.837 -176.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.61 -50.12 0.09 OUTLIER 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.317 2.011 . . . . 0.0 114.429 -169.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.34 -34.88 73.19 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -169.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -63.64 -37.38 87.11 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.085 -1.01 . . . . 0.0 112.379 177.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -59.55 -42.38 92.27 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.688 1.131 . . . . 0.0 111.827 173.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 38.7 m -59.48 -41.01 88.82 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.189 0.596 . . . . 0.0 110.939 174.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -67.48 -37.04 82.28 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.724 -0.61 . . . . 0.0 112.253 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 69.9 t -61.16 -48.06 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.481 1.037 . . . . 0.0 111.227 170.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -60.99 -44.33 97.56 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.763 0.711 . . . . 0.0 111.898 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.39 -53.0 63.23 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.426 0.69 . . . . 0.0 111.429 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.72 -53.88 51.16 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.056 0.942 . . . . 0.0 112.589 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -63.3 -29.99 71.21 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.21 -0.931 . . . . 0.0 112.956 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.92 -36.51 90.39 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.408 1.004 . . . . 0.0 113.215 169.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -73.96 -36.73 64.63 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 118.411 1.105 . . . . 0.0 111.528 172.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 90.6 t -59.39 -54.4 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.826 0.85 . . . . 0.0 111.205 176.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.05 -128.1 4.34 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.326 0.965 . . . . 0.0 113.883 -177.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.01 -22.48 49.84 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -72.37 -6.79 45.88 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.01 -44.03 63.96 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 120.854 -1.154 . . . . 0.0 112.792 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.15 -45.93 95.03 Favored Glycine 0 C--N 1.341 0.854 0 CA-C-O 119.297 -0.724 . . . . 0.0 113.881 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -67.88 -36.96 81.16 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.57 1.185 . . . . 0.0 112.053 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -66.8 -37.8 85.24 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 121.135 -0.978 . . . . 0.0 112.507 173.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.46 -43.97 91.27 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 121.186 -0.946 . . . . 0.0 112.368 173.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.86 -50.55 72.11 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.105 0.962 . . . . 0.0 111.072 174.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -65.25 -24.74 67.41 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 124.116 0.966 . . . . 0.0 113.443 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.45 -38.41 49.46 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.555 1.07 . . . . 0.0 111.884 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.09 -44.03 97.98 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.523 0.729 . . . . 0.0 110.658 169.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -61.06 -49.48 77.18 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.307 0.643 . . . . 0.0 112.278 173.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -60.52 -36.93 79.57 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 117.902 -1.047 . . . . 0.0 112.583 175.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 26.8 ttp -55.44 -52.14 64.58 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.977 1.262 . . . . 0.0 111.396 169.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -55.87 29.1 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 117.956 0.344 . . . . 0.0 111.644 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.06 -29.67 69.52 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.583 0.628 . . . . 0.0 112.158 -173.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 8.2 t -72.24 -24.22 61.34 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 177.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -150.81 67.51 7.88 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 123.762 0.825 . . . . 0.0 110.198 -172.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -51.53 -27.65 25.84 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.835 3.023 . . . . 0.0 115.242 -171.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.18 -33.85 13.24 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.889 1.676 . . . . 0.0 114.417 172.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 35.9 p -71.14 -18.07 62.52 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 120.856 1.662 . . . . 0.0 114.039 175.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -57.61 -31.21 66.0 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 120.93 1.696 . . . . 0.0 112.952 -178.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 1.7 t -73.22 -18.03 61.28 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -32.64 74.13 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.772 -1.205 . . . . 0.0 112.195 177.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -148.07 78.16 9.72 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.665 1.586 . . . . 0.0 111.446 174.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -77.65 -0.86 11.04 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 C-N-CA 123.739 2.959 . . . . 0.0 114.372 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.17 0.28 0.44 Allowed 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 -176.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.99 147.7 42.51 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.3 1.44 . . . . 0.0 112.826 -176.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -77.17 152.15 34.96 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.461 0.704 . . . . 0.0 110.407 167.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -154.57 14.04 0.42 Allowed 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 115.254 1.576 . . . . 0.0 115.254 -174.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -86.8 56.41 3.99 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.156 1.383 . . . . 0.0 112.875 -173.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 69.13 118.15 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.567 2.347 . . . . 0.0 113.761 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.24 14.34 74.61 Favored Glycine 0 CA--C 1.536 1.389 0 O-C-N 121.135 -0.978 . . . . 0.0 115.088 174.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -58.51 133.89 56.22 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.444 1.097 . . . . 0.0 112.86 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.14 -26.68 68.45 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.038 0.935 . . . . 0.0 113.378 173.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -81.69 -40.33 22.97 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.737 -0.602 . . . . 0.0 111.741 175.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -66.14 -33.84 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 121.286 -0.884 . . . . 0.0 111.882 175.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -60.27 -37.77 81.48 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 120.041 1.292 . . . . 0.0 112.69 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.88 -53.15 6.49 Favored Glycine 0 N--CA 1.471 1.03 0 C-N-CA 124.395 0.997 . . . . 0.0 111.85 177.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.41 -33.95 68.4 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.801 -0.823 . . . . 0.0 111.973 175.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -61.6 -50.66 63.99 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 124.973 1.273 . . . . 0.0 113.806 170.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -56.79 -36.21 69.62 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 118.988 1.394 . . . . 0.0 113.166 170.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -66.12 -51.74 55.08 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.087 0.858 . . . . 0.0 112.943 173.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 76.5 t -57.01 -43.17 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 119.475 1.034 . . . . 0.0 111.091 174.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.82 -48.46 81.24 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.015 0.926 . . . . 0.0 113.261 174.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.07 -38.78 87.46 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.924 0.784 . . . . 0.0 112.217 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.26 -45.56 94.02 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 170.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.27 -44.6 88.5 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.628 172.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 96.2 m -57.55 -49.18 77.19 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.736 1.153 . . . . 0.0 111.822 172.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -22.23 65.65 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 120.143 1.338 . . . . 0.0 113.018 177.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.19 -51.63 20.26 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 119.495 1.043 . . . . 0.0 110.394 167.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 69.9 t -54.59 -47.16 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 119.963 1.256 . . . . 0.0 111.465 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.29 -21.49 49.14 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.092 1.357 . . . . 0.0 113.899 -178.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -143.2 35.58 1.35 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.58 1.152 . . . . 0.0 111.313 -176.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.16 -23.69 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 119.555 -1.966 . . . . 0.0 115.927 -162.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -119.1 27.36 8.89 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.642 1.177 . . . . 0.0 112.469 170.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -153.71 29.15 0.47 Allowed 'General case' 0 CA--C 1.559 1.307 0 C-N-CA 129.186 2.994 . . . . 0.0 111.531 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 15.1 ptt? -101.2 18.08 0.05 OUTLIER Pre-proline 0 N--CA 1.481 1.085 0 N-CA-C 116.261 1.949 . . . . 0.0 116.261 -176.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -64.9 -41.75 16.75 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 CA-C-N 123.475 2.277 . . . . 0.0 113.651 -161.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -84.6 -19.54 32.87 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.053 0.941 . . . . 0.0 113.005 171.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.19 -10.15 52.21 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -173.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 52.2 mt -107.31 5.44 27.52 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.695 1.134 . . . . 0.0 113.102 168.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 58.7 m -59.52 -35.09 73.49 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.649 -1.282 . . . . 0.0 113.357 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.16 -16.31 43.26 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 172.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mt -97.04 -38.75 9.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.483 1.513 . . . . 0.0 110.725 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 14.9 t -52.08 -42.71 63.42 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.693 1.197 . . . . 0.0 111.418 161.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.67 -53.82 42.05 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.711 1.204 . . . . 0.0 111.927 170.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -54.58 -53.07 59.43 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.367 0.985 . . . . 0.0 111.017 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -53.05 -43.63 66.78 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.793 1.237 . . . . 0.0 113.58 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.79 -31.83 14.22 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -173.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -84.48 -45.59 12.5 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.092 0.957 . . . . 0.0 112.819 -176.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER -147.52 51.81 1.06 Allowed 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -178.256 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.93 -62.23 0.86 Allowed 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.496 -0.753 . . . . 0.0 111.193 169.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 57.24 18.47 4.27 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.64 1.176 . . . . 0.0 113.549 -175.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 58.2 t -83.2 143.06 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 126.516 1.926 . . . . 0.0 111.637 -173.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -58.79 143.32 82.91 Favored Pre-proline 0 CA--C 1.551 1.003 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 172.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -50.77 -17.01 2.74 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 124.291 3.327 . . . . 0.0 116.536 173.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.04 -40.72 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 119.783 1.174 . . . . 0.0 112.994 171.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -65.51 -34.08 77.42 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.444 -0.788 . . . . 0.0 112.507 175.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . 0.438 ' C ' ' CD1' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -59.57 -51.48 69.66 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.598 1.09 . . . . 0.0 109.029 170.212 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -56.16 -51.67 67.14 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.274 0.559 . . . . 0.0 109.866 -175.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 63.8 mt -58.72 -50.17 74.88 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.932 0.893 . . . . 0.0 112.24 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.46 -41.53 93.27 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.829 1.195 . . . . 0.0 112.588 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 37.6 m -66.01 -46.13 79.04 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 120.215 1.371 . . . . 0.0 112.791 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -61.19 -43.8 98.31 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.602 1.092 . . . . 0.0 111.265 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 90.6 m -67.41 -33.8 75.91 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 27.5 mt -64.58 -47.26 79.37 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.145 1.338 . . . . 0.0 111.222 170.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 7.7 mt -53.9 -42.67 68.94 Favored 'General case' 0 C--O 1.224 -0.246 0 O-C-N 121.623 -0.673 . . . . 0.0 111.371 171.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 37.2 t -69.21 -38.1 77.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 117.784 -1.103 . . . . 0.0 113.68 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 32.2 p -72.83 -39.83 66.28 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 121.761 2.073 . . . . 0.0 112.536 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 19.8 mt -56.43 -59.39 5.04 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 167.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -47.67 -47.26 29.59 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.62 -20.15 60.02 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 -174.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -131.17 -16.16 3.2 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -172.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.23 75.62 52.58 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 129.953 3.301 . . . . 0.0 106.994 170.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -44.71 146.09 2.45 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.86 3.04 . . . . 0.0 114.412 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.6 17.14 0.05 Allowed 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 176.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 51.96 18.88 0.88 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.813 2.045 . . . . 0.0 114.4 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 43.0 p90 44.36 8.42 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 128.953 2.901 . . . . 0.0 117.151 -166.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.08 144.08 81.52 Favored Pre-proline 0 N--CA 1.478 0.946 0 O-C-N 120.573 -1.329 . . . . 0.0 111.522 -176.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -64.44 -33.37 57.92 Favored 'Trans proline' 0 CA--C 1.537 0.675 0 C-N-CA 122.396 2.064 . . . . 0.0 112.339 175.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.56 72.86 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.647 0.658 . . . . 0.0 112.383 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 58.9 t -71.77 -38.53 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 119.863 1.21 . . . . 0.0 111.132 174.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -61.95 -34.43 76.1 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.324 -0.86 . . . . 0.0 113.153 172.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.22 -56.92 10.07 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.656 0.662 . . . . 0.0 110.144 165.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 26.7 p -59.04 -55.16 38.72 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 117.741 -1.123 . . . . 0.0 113.519 -164.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.32 -43.59 97.36 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 120.019 1.281 . . . . 0.0 112.268 -175.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.2 -51.36 31.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.28 0.632 . . . . 0.0 111.346 -175.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.18 -36.13 74.78 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.101 0.56 . . . . 0.0 111.313 169.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -67.43 -44.76 77.95 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 119.735 1.152 . . . . 0.0 111.322 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.94 -28.87 68.64 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.527 1.512 . . . . 0.0 111.577 173.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.42 97.38 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-O 118.118 -0.944 . . . . 0.0 113.219 166.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 95.3 p -76.66 -35.38 58.0 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 121.516 1.962 . . . . 0.0 113.736 176.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.63 -53.65 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.625 1.102 . . . . 0.0 108.998 165.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 26.6 t -52.35 -60.26 3.44 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.907 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 26.6 m -51.66 -47.56 63.73 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 117.916 -1.04 . . . . 0.0 112.564 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 80.8 t -71.02 -38.42 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 120.497 1.499 . . . . 0.0 111.98 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.81 -41.94 78.69 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 120.247 1.385 . . . . 0.0 110.316 168.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 70.2 p -91.91 31.32 1.25 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.971 1.708 . . . . 0.0 113.411 175.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 4.3 p -169.03 -154.88 0.13 Allowed 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.499 -1.376 . . . . 0.0 111.366 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 139' ' ' LYS . . . . . 0.408 ' HB2' ' HB2' ' A' ' 139' ' ' LYS . 10.0 tmtt? -142.58 -53.07 0.4 Allowed 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 153.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.54 157.24 27.37 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -170.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.287 0 C-N-CA 125.904 1.681 . . . . 0.0 114.824 -164.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.315 7.4 p . . . . . 0 N--CA 1.513 2.718 0 CA-C-O 117.614 -1.184 . . . . 0.0 112.987 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 5.2 t60 34.99 74.07 0.07 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.057 2.143 . . . . 0.0 115.595 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 67.6 mt -54.58 122.66 11.05 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.371 -0.831 . . . . 0.0 111.269 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 61.6 m -52.55 132.43 45.22 Favored Pre-proline 0 N--CA 1.478 0.946 0 CA-C-O 117.253 -1.356 . . . . 0.0 109.558 168.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -48.76 -41.77 37.92 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.482 2.788 . . . . 0.0 116.512 -170.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -68.24 -36.93 80.23 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.484 -0.76 . . . . 0.0 112.367 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.01 -39.38 75.88 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.348 -0.845 . . . . 0.0 112.063 172.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -47.26 79.18 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 117.557 -1.211 . . . . 0.0 110.367 167.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 20.6 t -56.84 -47.02 81.29 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 120.05 1.295 . . . . 0.0 111.639 175.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.9 -57.31 11.45 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.491 1.116 . . . . 0.0 113.891 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.77 -49.89 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 119.177 0.899 . . . . 0.0 111.63 176.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 17.6 m -66.29 -35.53 80.63 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.78 1.173 . . . . 0.0 112.229 -167.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.9 -38.07 87.77 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.395 0.998 . . . . 0.0 112.464 172.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 tt -70.38 -34.95 73.17 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.253 -0.904 . . . . 0.0 111.334 173.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -36.53 76.0 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.638 1.175 . . . . 0.0 112.725 166.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.45 -41.8 98.75 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.81 1.195 . . . . 0.0 113.963 175.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -86.85 -16.93 34.62 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 175.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.14 131.26 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.883 1.273 . . . . 0.0 111.865 -178.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -88.47 77.88 7.98 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.548 1.139 . . . . 0.0 109.813 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -50.0 -38.95 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 124.813 1.245 . . . . 0.0 113.676 -168.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -13.56 62.36 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.833 1.253 . . . . 0.0 114.136 -178.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -124.6 -50.13 1.75 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.725 1.21 . . . . 0.0 111.17 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.71 -29.63 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 119.285 0.948 . . . . 0.0 112.798 173.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.77 -39.89 11.42 Favored Glycine 0 N--CA 1.472 1.064 0 O-C-N 121.337 -0.852 . . . . 0.0 112.676 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.95 -43.05 99.87 Favored Glycine 0 N--CA 1.476 1.305 0 CA-C-N 118.16 0.98 . . . . 0.0 112.008 169.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -56.69 -56.58 19.63 Favored 'General case' 0 C--O 1.214 -0.793 0 C-N-CA 124.487 1.115 . . . . 0.0 111.014 167.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.58 94.3 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 121.43 1.923 . . . . 0.0 114.369 -176.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 33.6 tp -69.63 -49.52 53.08 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.136 0.88 . . . . 0.0 111.834 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.62 -39.68 96.86 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-N 118.298 0.499 . . . . 0.0 112.22 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -54.49 -45.72 73.29 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 117.163 -1.398 . . . . 0.0 112.037 172.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -49.24 17.01 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 120.086 1.312 . . . . 0.0 112.057 -177.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.4 -44.32 96.72 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.109 0.964 . . . . 0.0 112.736 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -78.34 -27.91 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 121.374 -0.829 . . . . 0.0 112.508 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 19.1 t -67.77 -46.35 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.71 2.004 . . . . 0.0 111.07 175.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -133.78 83.68 46.61 Favored Pre-proline 0 CA--C 1.539 0.549 0 C-N-CA 124.619 1.167 . . . . 0.0 110.472 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_exo -50.08 -18.79 3.48 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 124.714 3.609 . . . . 0.0 117.04 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 -60.24 -33.79 72.78 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 120.135 1.334 . . . . 0.0 112.979 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 73.0 p -62.72 -20.99 65.45 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -53.4 -30.67 41.24 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.909 0.884 . . . . 0.0 113.135 167.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -60.04 -15.73 25.29 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 120.979 1.718 . . . . 0.0 114.228 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -108.88 1.48 20.85 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.077 1.751 . . . . 0.0 113.299 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -53.32 59.61 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.205 1.366 . . . . 0.0 112.475 -173.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 26.05 5.1 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.471 1 C-N-CA 134.547 5.139 . . . . 0.0 120.627 -176.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -162.3 -28.56 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.049 2.14 . . . . 0.0 113.087 -169.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -52.28 -32.55 37.95 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 176.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.64 159.49 17.55 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.841 1.21 . . . . 0.0 114.858 175.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 49.4 t0 42.49 -98.42 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 127.084 2.154 . . . . 0.0 114.078 -173.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 47.43 10.02 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 119.019 2.97 . . . . 0.0 119.019 176.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -57.8 -22.15 45.8 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -172.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 50' ' ' THR . . . . . 0.648 ' HG1' ' H ' ' D' ' 53' ' ' ALA . 68.8 p -134.43 162.48 57.47 Favored Pre-proline 0 N--CA 1.473 0.713 0 C-N-CA 126.209 1.804 . . . . 0.0 110.643 171.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -50.01 -40.67 49.79 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.069 2.513 . . . . 0.0 114.399 167.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -62.8 -44.53 95.91 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.503 0.721 . . . . 0.0 111.725 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . 0.648 ' H ' ' HG1' ' D' ' 50' ' ' THR . . . -62.72 -45.12 94.22 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.661 0.784 . . . . 0.0 112.88 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -66.21 -37.79 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 O-C-N 121.1 -1.0 . . . . 0.0 112.669 -177.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 3.0 ttm -79.56 -12.75 59.84 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.94 -21.89 9.82 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.988 1.28 . . . . 0.0 115.079 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -55.14 117.04 12.98 Favored Pre-proline 0 CA--C 1.557 1.237 0 CA-C-N 119.185 1.492 . . . . 0.0 111.926 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -51.24 -40.32 61.04 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 123.946 3.097 . . . . 0.0 115.167 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -26.1 61.57 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.999 -1.063 . . . . 0.0 112.582 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.21 -33.24 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 CA-C-N 119.44 1.018 . . . . 0.0 111.513 169.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.71 -45.02 88.36 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 120.426 1.466 . . . . 0.0 111.739 168.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.85 -49.45 77.66 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -67.16 -28.3 68.0 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.469 -1.394 . . . . 0.0 112.215 174.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.81 -49.08 82.38 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.828 1.68 . . . . 0.0 113.043 168.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -58.51 -40.26 82.37 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 122.042 -0.681 . . . . 0.0 111.497 168.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -63.69 -51.8 63.47 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.299 1.04 . . . . 0.0 112.661 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 13.8 p -62.53 -46.54 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 119.354 0.979 . . . . 0.0 112.363 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.57 -37.44 76.99 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.482 -0.761 . . . . 0.0 110.751 177.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.59 -43.99 46.39 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 125.161 1.363 . . . . 0.0 112.904 169.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.33 -48.48 81.11 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.558 1.179 . . . . 0.0 112.516 172.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -59.09 -37.02 76.13 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.316 -1.49 . . . . 0.0 113.24 172.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 7.3 t -67.73 -44.14 78.3 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.167 1.387 . . . . 0.0 112.753 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -56.55 -37.32 70.35 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.902 0.881 . . . . 0.0 111.27 168.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.16 -57.65 18.11 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 123.453 0.549 . . . . 0.0 112.313 170.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.5 mt -57.78 -24.43 57.11 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 176.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.43 -19.76 27.59 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.567 1.547 . . . . 0.0 114.882 175.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -141.19 41.07 1.78 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.648 1.579 . . . . 0.0 112.767 -172.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 96.2 mt -55.65 -19.19 9.71 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.65 -1.282 . . . . 0.0 114.257 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -52.83 -42.14 64.88 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.733 1.613 . . . . 0.0 113.126 172.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -153.63 113.31 3.84 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.678 1.591 . . . . 0.0 110.223 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 88.6 mt -94.25 2.48 55.88 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.11 0.964 . . . . 0.0 113.445 176.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -87.17 -53.06 5.06 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 120.45 -1.406 . . . . 0.0 112.449 -174.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.24 -36.82 71.18 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 123.661 0.648 . . . . 0.0 113.555 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.9 p -69.37 -12.6 61.79 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.21 1.804 . . . . 0.0 114.431 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -130.06 9.53 5.31 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.241 1.416 . . . . 0.0 112.952 -177.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.22 -34.5 70.48 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -170.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 21.8 p -65.97 -39.28 90.24 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.96 0.904 . . . . 0.0 111.908 171.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 53.3 mt -73.74 -40.59 63.42 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.581 1.152 . . . . 0.0 111.645 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 96.5 p -64.34 -41.66 96.65 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 119.82 1.191 . . . . 0.0 111.462 176.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -58.12 -48.44 80.2 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.562 -0.711 . . . . 0.0 112.685 170.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 15.4 tp -51.6 -55.09 21.21 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.738 0.815 . . . . 0.0 111.712 173.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -74.75 -30.92 61.64 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.106 -0.996 . . . . 0.0 113.247 -173.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 85.2 m -78.77 -39.17 36.73 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.684 1.129 . . . . 0.0 113.793 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -107.42 -24.53 11.79 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -169.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.2 -24.99 19.75 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.983 0.811 . . . . 0.0 113.077 174.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 32.3 mt -128.2 -44.84 1.41 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.528 1.131 . . . . 0.0 113.591 -172.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 15.0 t60 56.2 22.16 5.89 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 127.544 2.337 . . . . 0.0 116.391 -176.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 23.2 m -61.19 154.32 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 O-C-N 120.766 -1.209 . . . . 0.0 112.549 173.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.14 157.64 86.56 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 127.923 2.489 . . . . 0.0 113.078 -176.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -49.05 -41.29 40.77 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 124.625 3.55 . . . . 0.0 115.187 178.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -61.02 -30.11 70.11 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 120.856 -1.153 . . . . 0.0 113.289 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -62.67 -40.88 98.47 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.98 0.809 . . . . 0.0 111.49 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -65.65 -46.79 77.82 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.58 0.752 . . . . 0.0 110.25 174.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -55.47 -43.81 75.87 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.994 0.518 . . . . 0.0 110.974 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 34.9 mt -58.36 -44.92 89.03 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.925 1.29 . . . . 0.0 113.495 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.02 -46.51 88.03 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.702 1.137 . . . . 0.0 110.491 173.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.21 -38.41 95.59 Favored Glycine 0 CA--C 1.535 1.302 0 O-C-N 121.137 -0.977 . . . . 0.0 113.918 174.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -63.37 -40.03 96.15 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.582 1.191 . . . . 0.0 111.716 174.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 71.0 t -59.39 -54.45 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.314 -0.866 . . . . 0.0 110.61 167.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 45.8 tp -50.91 -53.59 31.4 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.301 1.04 . . . . 0.0 111.968 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 24.9 m -60.06 -35.69 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 118.849 0.749 . . . . 0.0 112.522 177.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 24.5 t -64.47 -38.08 89.76 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.763 0.711 . . . . 0.0 111.681 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 1.9 m -68.0 -43.68 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 121.09 -1.006 . . . . 0.0 111.486 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -38.64 85.33 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.504 -0.748 . . . . 0.0 111.609 172.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.55 -21.52 62.65 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.056 0.843 . . . . 0.0 112.923 172.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.79 -63.27 1.42 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.591 0.756 . . . . 0.0 111.476 166.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -66.2 -27.33 67.9 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -170.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -114.72 27.95 9.08 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.175 1.79 . . . . 0.0 111.119 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.57 -37.47 50.15 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.927 1.251 . . . . 0.0 115.412 -175.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -64.95 -7.5 11.81 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.541 1.536 . . . . 0.0 114.791 173.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -125.9 21.97 7.48 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.111 1.765 . . . . 0.0 111.877 -168.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -58.77 83.84 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 127.045 2.138 . . . . 0.0 113.749 175.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.26 149.5 94.33 Favored Pre-proline 0 N--CA 1.481 1.106 0 O-C-N 120.353 -1.467 . . . . 0.0 111.444 176.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . 0.437 ' CB ' ' HD3' ' D' ' 125' ' ' PRO 0.364 13.1 Cg_exo -33.62 -93.35 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.052 1 C-N-CA 126.978 5.119 . . . . 0.0 118.159 -173.896 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' D' D ' 125' ' ' PRO . . . . . 0.437 ' HD3' ' CB ' ' D' ' 124' ' ' PRO . 71.6 Cg_exo -70.21 17.84 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 CA-C-N 124.538 2.656 . . . . 0.0 118.718 169.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 2.0 p -53.76 -43.11 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 CA-C-N 123.273 2.76 . . . . 0.0 113.881 -167.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -64.46 -41.16 96.69 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.42 -0.8 . . . . 0.0 111.691 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.11 92.01 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.324 1.05 . . . . 0.0 111.755 174.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.23 -43.59 95.92 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.147 0.979 . . . . 0.0 111.206 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -59.75 -52.34 65.92 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 118.565 -0.731 . . . . 0.0 112.422 168.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.02 -37.92 64.6 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.837 1.199 . . . . 0.0 112.583 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -61.84 -51.76 66.92 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.827 1.251 . . . . 0.0 113.404 173.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.36 -36.33 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 CA-C-N 119.941 1.246 . . . . 0.0 112.962 175.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 25.8 t -59.26 -45.61 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.963 1.305 . . . . 0.0 111.336 173.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.14 94.42 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.141 0.882 . . . . 0.0 111.727 175.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.58 -50.65 63.46 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 123.374 0.512 . . . . 0.0 112.86 170.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 32.8 t -60.89 -44.62 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 117.921 0.86 . . . . 0.0 112.319 175.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -57.79 -49.67 75.84 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.311 0.96 . . . . 0.0 111.932 175.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.27 -37.03 85.64 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.751 -0.593 . . . . 0.0 112.272 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.69 96.22 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.348 -0.845 . . . . 0.0 112.648 172.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 8.7 mt -68.18 -31.95 71.85 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 120.556 -1.34 . . . . 0.0 112.153 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.46 -6.64 41.94 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 169.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -56.21 -41.63 75.91 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.191 -1.568 . . . . 0.0 113.114 -173.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -70.35 5.84 1.59 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.349 1.46 . . . . 0.0 114.876 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -59.0 -17.8 28.37 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 120.346 1.43 . . . . 0.0 113.671 168.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 3.2 p80 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 125.472 1.509 . . . . 0.0 114.956 176.767 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.497 1.912 0 CA-C-O 116.147 -1.883 . . . . 0.0 108.468 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.1 mt 131.7 -169.87 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 131.157 3.783 . . . . 0.0 111.15 -173.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.52 165.28 23.73 Favored Pre-proline 0 N--CA 1.476 0.843 0 C-N-CA 127.003 2.121 . . . . 0.0 112.363 -173.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.78 -39.77 1.71 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.215 1.944 . . . . 0.0 112.111 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.49 -34.19 60.84 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 118.816 -0.612 . . . . 0.0 112.201 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.423 ' OD2' ' HE3' ' A' ' 127' ' ' LYS . 0.6 OUTLIER -61.17 -44.41 97.34 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 119.953 1.251 . . . . 0.0 110.702 178.076 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -51.75 -50.86 59.8 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.938 0.895 . . . . 0.0 112.338 173.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.3 m -54.85 -44.43 73.97 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.259 0.936 . . . . 0.0 111.469 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -72.42 -33.09 66.86 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.8 -51.06 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-N 119.175 0.898 . . . . 0.0 110.384 169.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -60.88 -41.32 95.75 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.746 0.819 . . . . 0.0 111.021 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.58 -54.14 49.98 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.302 0.641 . . . . 0.0 111.384 172.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.8 -54.06 47.13 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.657 0.662 . . . . 0.0 111.973 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -65.65 -25.07 67.18 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.028 0.931 . . . . 0.0 113.463 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.85 -36.8 93.88 Favored Glycine 0 CA--C 1.534 1.263 0 O-C-N 121.18 -0.95 . . . . 0.0 113.253 169.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -77.1 -32.48 56.63 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 118.043 0.922 . . . . 0.0 111.765 172.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.6 t -58.94 -50.98 77.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.146 0.978 . . . . 0.0 111.41 173.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.45 -134.62 6.6 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 123.887 0.756 . . . . 0.0 113.79 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.73 -19.57 64.08 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -70.4 -6.51 36.14 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.042 -1.036 . . . . 0.0 113.54 176.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.519 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -40.05 -56.42 1.87 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.443 1.497 . . . . 0.0 113.074 175.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.95 -33.47 87.33 Favored Glycine 0 N--CA 1.468 0.83 0 O-C-N 121.657 -0.652 . . . . 0.0 114.247 -178.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.36 -47.57 85.26 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.385 1.074 . . . . 0.0 109.755 173.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -67.47 -37.94 83.65 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.901 0.48 . . . . 0.0 111.964 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.81 -49.27 80.52 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-N 118.625 0.648 . . . . 0.0 112.708 171.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.72 -49.83 75.91 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.138 0.969 . . . . 0.0 111.292 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -57.32 -37.26 72.23 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 173.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -67.92 -37.31 81.51 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.198 0.908 . . . . 0.0 113.033 -179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.46 -46.41 88.61 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.148 0.979 . . . . 0.0 111.531 170.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.42 -48.04 83.01 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.792 -0.568 . . . . 0.0 112.023 176.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -54.33 -46.18 72.84 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 118.198 -0.906 . . . . 0.0 111.753 172.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.8 ttp -57.48 -46.61 83.5 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.977 0.808 . . . . 0.0 112.675 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.43 -54.14 50.2 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.583 0.629 . . . . 0.0 110.918 172.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.8 -40.64 97.14 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.297 0.639 . . . . 0.0 112.273 -173.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.8 p -76.51 -29.68 56.88 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.133 1.373 . . . . 0.0 112.922 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.89 76.01 23.62 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.714 1.606 . . . . 0.0 109.32 -172.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -49.53 -28.1 15.71 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 124.279 3.319 . . . . 0.0 115.392 -177.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -40.64 -44.99 2.26 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.631 1.972 . . . . 0.0 113.343 165.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 p -63.34 -26.21 68.66 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -176.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -54.78 -30.98 58.16 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.611 1.096 . . . . 0.0 113.04 174.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 t -59.03 -31.41 68.81 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 175.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.433 ' CD1' HG23 ' A' ' 93' ' ' VAL . 30.2 m-85 -80.27 12.06 3.16 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.828 1.251 . . . . 0.0 113.6 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -123.64 63.39 27.4 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 126.583 1.953 . . . . 0.0 110.586 172.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -70.42 -4.65 14.9 Favored 'Trans proline' 0 CA--C 1.548 1.18 0 C-N-CA 123.917 3.078 . . . . 0.0 114.512 -176.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.85 22.03 1.6 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.127 1.771 . . . . 0.0 113.736 -170.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -129.03 109.17 10.98 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.75 1.22 . . . . 0.0 110.31 -168.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -73.9 113.38 10.99 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.613 -0.68 . . . . 0.0 111.203 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.8 mt -89.1 35.01 0.79 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.008 0.923 . . . . 0.0 112.216 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.0 m -53.38 150.99 5.85 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.519 1.528 . . . . 0.0 112.105 174.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -58.33 125.07 21.7 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.23 -0.919 . . . . 0.0 110.976 176.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.63 20.58 78.6 Favored Glycine 0 CA--C 1.541 1.66 0 CA-C-O 118.842 -0.977 . . . . 0.0 115.074 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.51 117.18 2.27 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.062 1.431 . . . . 0.0 114.102 -175.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.33 -35.92 68.16 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.436 1.095 . . . . 0.0 113.01 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -63.22 -38.35 90.81 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 173.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.6 t -70.46 -42.89 78.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 CA-C-N 119.789 1.177 . . . . 0.0 110.874 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -60.66 -47.79 84.66 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.876 0.871 . . . . 0.0 111.561 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.98 -57.45 19.66 Favored Glycine 0 C--O 1.222 -0.656 0 C-N-CA 125.154 1.359 . . . . 0.0 111.882 173.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -52.32 -43.77 64.73 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.68 1.24 . . . . 0.0 112.237 176.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.47 -49.1 40.27 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.262 -0.743 . . . . 0.0 114.249 170.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -55.8 -44.91 78.25 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.417 1.109 . . . . 0.0 111.934 172.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -62.84 -52.07 64.56 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 118.945 0.793 . . . . 0.0 111.649 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.0 t -53.25 -47.45 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.993 0.917 . . . . 0.0 110.805 175.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.519 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -73.62 -34.42 65.02 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -176.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -65.39 -36.65 84.63 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 121.162 -0.961 . . . . 0.0 111.58 170.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.44 -30.13 70.42 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.154 -0.966 . . . . 0.0 112.787 168.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -45.72 90.09 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.733 -1.23 . . . . 0.0 111.255 166.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 54.0 m -55.36 -46.41 76.44 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 120.143 1.338 . . . . 0.0 112.479 169.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.93 -27.5 65.81 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.839 -1.163 . . . . 0.0 112.816 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.57 -56.61 14.6 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 117.182 -1.39 . . . . 0.0 110.422 160.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -48.47 -39.6 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 CA-C-N 121.359 1.89 . . . . 0.0 112.666 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.17 -24.7 66.7 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -145.43 42.16 1.26 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.002 1.721 . . . . 0.0 112.95 -169.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.3 p -87.31 -45.76 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -161.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -80.29 -7.91 59.24 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 120.696 1.589 . . . . 0.0 111.729 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -119.49 2.68 11.25 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.325 -1.484 . . . . 0.0 113.57 -170.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 mtt -27.31 88.33 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.19 0 C-N-CA 128.216 2.607 . . . . 0.0 115.427 -167.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -91.57 49.62 0.66 Allowed 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.522 2.814 . . . . 0.0 111.487 -165.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . 0.339 0.0 OUTLIER 72.44 16.49 4.94 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.503 1.921 . . . . 0.0 114.457 -164.591 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.12 -16.81 61.22 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -177.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.1 mt -101.48 4.19 40.97 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 119.589 1.086 . . . . 0.0 112.504 170.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.6 t -59.74 -36.64 77.01 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.777 -1.202 . . . . 0.0 113.649 -174.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.7 -28.15 63.57 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.252 0.933 . . . . 0.0 112.571 172.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mt -85.17 -43.1 14.12 Favored 'General case' 0 CA--C 1.526 0.052 0 C-N-CA 124.722 1.209 . . . . 0.0 110.341 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -55.47 -38.75 69.49 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.874 -0.584 . . . . 0.0 111.606 169.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -64.37 -48.25 76.19 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.069 1.348 . . . . 0.0 112.561 171.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.17 -45.58 72.13 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.451 1.023 . . . . 0.0 110.254 175.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -69.37 -61.99 1.56 Allowed 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.657 -0.652 . . . . 0.0 110.242 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.6 -28.48 65.63 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -173.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -109.18 3.87 22.29 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.067 0.947 . . . . 0.0 112.993 -174.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -142.04 -35.95 0.43 Allowed 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -176.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.87 -48.42 0.33 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 115.659 1.726 . . . . 0.0 115.659 -173.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 52.54 50.0 19.17 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 127.642 2.377 . . . . 0.0 114.955 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.433 HG23 ' CD1' ' A' ' 42' ' ' TYR . 6.3 t -59.35 148.37 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.508 0.723 . . . . 0.0 112.076 175.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.2 139.68 97.75 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 123.978 0.911 . . . . 0.0 111.587 175.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.23 -13.02 1.77 Allowed 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 124.019 3.146 . . . . 0.0 115.547 170.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.3 p -51.43 -45.39 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 120.79 1.632 . . . . 0.0 111.946 168.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.11 -37.85 78.17 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.439 -0.788 . . . . 0.0 111.03 174.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.449 ' CG ' ' HB3' ' A' ' 133' ' ' SER . 12.4 t80 -60.27 -51.01 71.36 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 118.561 -0.733 . . . . 0.0 110.881 173.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -57.59 -32.21 66.95 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 119.283 0.947 . . . . 0.0 112.262 -177.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.8 mt -70.65 -57.76 4.37 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.412 1.085 . . . . 0.0 110.003 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.3 tp -50.54 -45.1 56.7 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.837 1.655 . . . . 0.0 112.725 176.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.9 p -65.66 -44.96 84.73 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.371 -0.83 . . . . 0.0 112.827 -178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -39.07 88.85 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.566 -0.708 . . . . 0.0 111.068 170.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 76.8 m -64.25 -38.4 90.92 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.579 -0.701 . . . . 0.0 111.188 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.1 mt -63.66 -49.7 72.16 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.228 1.011 . . . . 0.0 111.638 173.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.2 mt -49.58 -47.44 49.41 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.283 0.947 . . . . 0.0 110.608 173.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.2 t -54.34 -48.56 67.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 123.353 0.661 . . . . 0.0 112.405 173.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -38.68 89.23 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 120.402 1.455 . . . . 0.0 112.581 177.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mt -59.23 -44.16 92.34 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.853 0.751 . . . . 0.0 109.836 176.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.65 -35.75 68.73 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.417 -0.802 . . . . 0.0 112.876 175.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.21 -6.98 10.82 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -137.91 -31.09 0.79 Allowed 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -173.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.2 170.32 16.57 Favored Pre-proline 0 CA--C 1.555 1.157 0 C-N-CA 124.919 1.287 . . . . 0.0 109.949 168.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -75.07 -128.67 0.01 OUTLIER 'Trans proline' 0 CA--C 1.546 1.096 0 C-N-CA 122.741 2.294 . . . . 0.0 108.798 164.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.4 61.07 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.408 1.483 . . . . 0.0 113.847 172.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.86 -17.11 1.22 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 119.394 -2.066 . . . . 0.0 114.462 176.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' B' ' 113' ' ' VAL . 0.2 OUTLIER -97.31 28.68 3.54 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 127.296 2.239 . . . . 0.0 112.793 179.332 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.5 170.88 1.16 Allowed Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 119.127 -2.233 . . . . 0.0 111.226 168.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -56.78 -51.4 9.09 Favored 'Trans proline' 0 C--N 1.346 0.434 0 CA-C-N 122.744 2.016 . . . . 0.0 111.615 166.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.2 -34.46 77.69 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.665 -0.683 . . . . 0.0 112.705 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.8 t -96.9 -38.05 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.661 1.118 . . . . 0.0 112.781 -176.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -69.68 -49.48 53.11 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 120.482 1.492 . . . . 0.0 111.603 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.04 -50.74 72.41 Favored 'General case' 0 C--N 1.345 0.412 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.3 t -48.66 -60.86 2.37 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 118.082 -0.961 . . . . 0.0 112.897 174.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.95 -41.54 91.11 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.913 1.233 . . . . 0.0 112.17 -173.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.83 -50.37 72.54 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.444 1.02 . . . . 0.0 111.963 176.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.423 ' HE3' ' OD2' ' A' ' 6' ' ' ASP . 0.0 OUTLIER -71.73 -31.02 66.26 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 178.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -60.54 -56.64 18.94 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.781 1.233 . . . . 0.0 109.842 171.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.53 -37.47 81.29 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.671 177.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.52 -38.13 74.16 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 120.495 1.498 . . . . 0.0 114.2 170.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.1 m -70.99 -36.91 72.66 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 120.215 -1.553 . . . . 0.0 112.684 170.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 94.8 t -57.56 -49.38 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-O 117.18 -1.39 . . . . 0.0 109.485 171.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.449 ' HB3' ' CG ' ' A' ' 98' ' ' PHE . 1.4 p -60.43 -43.69 96.53 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 120.98 1.718 . . . . 0.0 113.209 174.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 42.9 m -51.0 -48.32 61.42 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.965 1.257 . . . . 0.0 110.913 174.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 64.0 t -78.94 -26.31 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -3.07 29.83 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.351 -1.468 . . . . 0.0 113.369 168.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 84.9 m -123.45 -17.91 6.37 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.405 1.482 . . . . 0.0 112.473 -176.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.8 p -63.86 136.62 57.54 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 120.882 -1.136 . . . . 0.0 112.613 173.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -74.15 138.27 43.73 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.937 0.895 . . . . 0.0 110.553 173.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 54.05 -45.47 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 129.444 3.097 . . . . 0.0 118.358 178.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 . . . . . 0 C--O 1.25 1.105 0 C-N-CA 126.627 1.971 . . . . 0.0 110.772 173.394 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.301 1.4 p . . . . . 0 N--CA 1.515 2.812 0 CA-C-O 117.638 -1.173 . . . . 0.0 112.779 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 35.97 67.19 0.31 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 126.887 2.075 . . . . 0.0 114.742 172.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.21 162.59 4.39 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.349 0.66 . . . . 0.0 112.407 -173.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.15 151.16 87.21 Favored Pre-proline 0 N--CA 1.479 1.019 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.452 166.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -52.85 -35.48 70.26 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 122.61 2.207 . . . . 0.0 114.662 172.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -73.4 -42.54 61.99 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.531 -0.73 . . . . 0.0 112.388 176.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -63.5 -44.99 92.74 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.481 -0.762 . . . . 0.0 111.534 173.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -51.53 66.94 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.486 1.114 . . . . 0.0 110.524 172.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.8 t -51.44 -48.44 62.73 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.556 0.616 . . . . 0.0 111.067 175.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.4 -56.95 15.54 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 4.1 p -62.75 -49.26 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 120.144 1.338 . . . . 0.0 111.621 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -75.21 -33.43 61.37 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.927 0.785 . . . . 0.0 112.58 -171.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.85 -35.77 79.14 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 120.3 1.409 . . . . 0.0 111.768 172.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -36.34 77.31 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.384 -0.822 . . . . 0.0 111.336 172.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -58.61 -42.78 88.94 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.927 0.891 . . . . 0.0 112.146 167.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.16 -31.67 59.33 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.461 1.505 . . . . 0.0 115.618 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -94.61 -12.3 27.71 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 118.41 1.105 . . . . 0.0 113.519 174.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.416 HG23 HG12 ' B' ' 23' ' ' VAL . 0.4 OUTLIER -63.46 137.48 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 124.144 0.978 . . . . 0.0 111.801 -168.796 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -85.02 83.54 8.02 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 175.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 41.8 t -53.47 -33.74 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 119.699 1.136 . . . . 0.0 113.266 -169.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -38.81 92.31 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.617 1.567 . . . . 0.0 112.713 174.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -107.15 -40.14 5.51 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.451 0.7 . . . . 0.0 111.676 -166.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.416 HG12 HG23 ' B' ' 18' ' ' VAL . 0.3 OUTLIER -61.26 -33.6 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 119.327 0.967 . . . . 0.0 110.805 162.479 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.12 -47.89 7.27 Favored Glycine 0 C--N 1.342 0.906 0 O-C-N 121.504 -0.748 . . . . 0.0 111.387 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.88 -43.3 94.85 Favored Glycine 0 C--N 1.337 0.611 0 CA-C-N 117.678 0.739 . . . . 0.0 112.572 171.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.566 ' HB2' HH11 ' B' ' 30' ' ' ARG . 4.4 pt-20 -72.14 -43.61 64.41 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 116.851 -1.547 . . . . 0.0 111.98 176.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.99 95.72 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 122.612 2.46 . . . . 0.0 112.229 177.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.2 tp -68.14 -45.45 73.55 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-O 119.377 -0.344 . . . . 0.0 111.702 177.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.36 -44.14 93.59 Favored Glycine 0 N--CA 1.465 0.621 0 O-C-N 120.881 -1.137 . . . . 0.0 111.52 171.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.595 ' HA ' HG23 ' B' ' 33' ' ' VAL . 0.6 OUTLIER -63.39 -21.7 66.44 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 116.829 -1.558 . . . . 0.0 113.759 177.297 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 tp -65.97 -55.23 17.82 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.85 1.659 . . . . 0.0 110.205 161.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.83 -31.66 72.42 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.465 -0.772 . . . . 0.0 112.016 -172.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.595 HG23 ' HA ' ' B' ' 30' ' ' ARG . 12.4 m -68.5 -19.81 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 t -63.52 -3.99 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 CA-C-N 120.876 1.671 . . . . 0.0 112.056 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 45.38 45.52 2.35 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 126.14 1.776 . . . . 0.0 111.704 -161.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -76.15 167.41 25.99 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 121.018 1.145 . . . . 0.0 109.203 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -51.85 -23.09 4.34 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 168.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 3.1 p -57.56 -23.62 51.6 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.768 -1.208 . . . . 0.0 112.567 171.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -55.55 -19.24 9.34 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.741 1.216 . . . . 0.0 113.32 174.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.417 ' HD3' ' CD2' ' B' ' 41' ' ' PHE . 0.0 OUTLIER -51.13 -39.99 57.5 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.315 1.871 . . . . 0.0 112.749 167.496 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . 0.417 ' CD2' ' HD3' ' B' ' 40' ' ' ARG . 68.0 m-85 -88.87 6.49 38.91 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.405 1.082 . . . . 0.0 113.462 -178.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.24 -27.01 5.3 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 176.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -50.63 -18.2 0.65 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 128.6 2.76 . . . . 0.0 116.369 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 30.4 p -109.13 -3.16 17.54 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.722 1.609 . . . . 0.0 114.176 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -96.74 -17.14 20.49 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -171.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.06 150.78 0.55 Allowed Glycine 0 CA--C 1.536 1.396 0 CA-C-N 119.47 1.032 . . . . 0.0 114.619 -178.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 t0 37.54 -82.67 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 128.807 2.843 . . . . 0.0 115.939 -172.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 42.66 -12.01 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.236 1 C-N-CA 132.527 4.331 . . . . 0.0 121.61 176.44 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 21.9 t -58.15 -17.34 17.85 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.175 1.79 . . . . 0.0 114.551 -171.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' THR . . . . . 0.454 ' HG1' ' H ' ' B' ' 53' ' ' ALA . 2.1 p -136.7 166.45 27.44 Favored Pre-proline 0 N--CA 1.472 0.646 0 C-N-CA 126.71 2.004 . . . . 0.0 109.782 -176.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -59.63 -53.44 3.33 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 121.702 1.601 . . . . 0.0 112.47 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.42 -36.14 73.14 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.213 1.005 . . . . 0.0 111.73 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.454 ' H ' ' HG1' ' B' ' 50' ' ' THR . . . -61.7 -59.87 4.52 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.258 0.623 . . . . 0.0 111.634 170.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.6 p -65.59 -35.27 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 120.485 -1.385 . . . . 0.0 113.479 -171.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 5.9 mtt -77.2 -30.79 54.94 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.54 0.736 . . . . 0.0 112.862 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.47 -24.46 23.82 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 123.905 0.764 . . . . 0.0 114.32 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.486 HD21 HG21 ' B' ' 60' ' ' VAL . 8.0 t30 -61.83 125.76 85.64 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 124.642 1.177 . . . . 0.0 112.996 -174.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.33 -38.23 35.75 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.305 2.67 . . . . 0.0 113.645 -170.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -61.76 -38.55 88.44 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.186 0.903 . . . . 0.0 112.512 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.486 HG21 HD21 ' B' ' 57' ' ' ASN . 95.7 t -65.16 -37.63 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-O 118.701 -0.666 . . . . 0.0 110.806 172.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -67.93 -47.54 68.45 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 120.117 1.326 . . . . 0.0 111.873 175.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.86 75.63 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.97 0.908 . . . . 0.0 113.247 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.39 -36.53 80.51 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.748 -1.22 . . . . 0.0 111.09 171.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.0 -48.09 64.04 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 126.145 1.831 . . . . 0.0 113.192 169.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -60.56 -34.53 74.29 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 118.536 -0.745 . . . . 0.0 112.622 171.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -68.8 -50.35 50.96 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.103 0.961 . . . . 0.0 113.044 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -52.43 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 119.992 1.269 . . . . 0.0 111.139 175.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 tt -72.64 -32.26 65.75 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.944 -0.472 . . . . 0.0 112.263 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.72 -35.7 75.48 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 125.031 1.301 . . . . 0.0 112.793 170.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.14 86.74 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.726 1.263 . . . . 0.0 111.184 166.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.419 ' CE1' HG13 ' B' ' 137' ' ' VAL . 2.0 m-30 -59.18 -34.56 72.27 Favored 'General case' 0 CA--C 1.552 1.053 0 O-C-N 120.518 -1.364 . . . . 0.0 111.584 177.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -44.32 76.99 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.449 1.1 . . . . 0.0 113.63 171.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.22 -34.13 68.24 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.692 0.797 . . . . 0.0 111.457 170.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.42 -63.71 4.77 Favored Glycine 0 C--O 1.221 -0.679 0 CA-C-O 119.019 -0.878 . . . . 0.0 111.535 167.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.01 -31.53 30.06 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 118.983 1.391 . . . . 0.0 114.124 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.27 -25.62 51.59 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.788 1.635 . . . . 0.0 115.117 175.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -146.01 44.79 1.26 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.827 1.651 . . . . 0.0 112.645 -170.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.437 HD21 HD23 ' B' ' 81' ' ' LEU . 33.1 mt -57.45 -18.01 16.12 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -178.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -50.67 -39.87 52.15 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.465 1.506 . . . . 0.0 113.86 170.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -150.98 96.33 2.31 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.903 0.881 . . . . 0.0 112.096 -175.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.437 HD23 HD21 ' B' ' 78' ' ' LEU . 28.8 mt -81.46 -45.76 15.54 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.47 -0.768 . . . . 0.0 112.98 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -56.88 -23.85 47.64 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 173.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.5 -7.67 64.84 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.464 1.507 . . . . 0.0 115.142 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.81 -19.08 12.55 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 118.925 1.363 . . . . 0.0 112.758 175.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . 0.567 ' CE2' HG21 ' B' ' 137' ' ' VAL . 18.5 m-85 -108.43 5.57 25.45 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.09 -39.34 55.88 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 121.002 1.728 . . . . 0.0 114.992 -173.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 10.6 p -64.84 -35.95 82.75 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.424 1.09 . . . . 0.0 112.833 172.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.95 -41.77 70.67 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 124.578 1.151 . . . . 0.0 110.55 172.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -56.96 -42.41 80.06 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.651 1.114 . . . . 0.0 111.007 172.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -65.69 -45.1 84.11 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.328 -0.858 . . . . 0.0 112.688 172.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.07 -50.85 70.31 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 120.699 -1.251 . . . . 0.0 112.081 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -78.81 -8.33 58.69 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -176.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 11.4 t -119.61 -65.8 1.13 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.776 0.717 . . . . 0.0 112.764 176.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.59 -35.9 82.5 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.524 -1.36 . . . . 0.0 114.132 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -94.43 -69.36 0.76 Allowed 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 65.2 mt -77.69 -33.13 53.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.29 1.036 . . . . 0.0 112.147 -175.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 52.54 21.61 1.87 Allowed 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -176.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -45.79 127.99 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.185 1.394 . . . . 0.0 111.01 174.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.27 132.56 91.59 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-O 118.854 -0.593 . . . . 0.0 111.805 -173.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -47.94 -24.91 5.65 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 124.805 3.67 . . . . 0.0 118.488 -174.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -51.25 -35.56 37.77 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.913 1.233 . . . . 0.0 112.094 171.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -66.43 -35.16 79.62 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.482 1.513 . . . . 0.0 111.433 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -65.36 -46.62 79.45 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.784 0.834 . . . . 0.0 110.833 175.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -62.71 -43.72 98.07 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 121.726 -0.609 . . . . 0.0 111.798 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 19.8 mt -55.04 -49.72 70.87 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 119.387 -0.34 . . . . 0.0 111.382 172.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.54 -33.88 70.38 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.323 0.649 . . . . 0.0 112.63 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -68.15 -51.78 31.36 Favored Glycine 0 N--CA 1.467 0.746 0 O-C-N 121.27 -0.893 . . . . 0.0 113.763 169.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -63.74 -33.96 76.81 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.981 -0.717 . . . . 0.0 112.572 -177.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 15.5 m -67.74 -42.19 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 117.799 -1.096 . . . . 0.0 112.375 169.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 41.7 tp -60.09 -48.79 80.24 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 121.147 1.794 . . . . 0.0 111.337 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 33.6 m -59.23 -34.78 54.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.623 0.647 . . . . 0.0 111.909 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 8.1 t -64.34 -41.27 96.86 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.709 0.686 . . . . 0.0 112.802 171.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . 0.4 ' HA ' ' CE2' ' A' ' 117' ' ' PHE 0.266 1.5 m -72.21 -38.52 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 O-C-N 120.464 -1.398 . . . . 0.0 113.052 -179.8 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 21.8 mt -55.94 -42.86 76.82 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.389 0.675 . . . . 0.0 110.552 170.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.47 -22.25 64.9 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 115.049 1.499 . . . . 0.0 115.049 176.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -76.63 -63.55 1.32 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 121.371 1.896 . . . . 0.0 111.382 168.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -63.57 -23.26 67.31 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -168.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -125.7 18.89 7.99 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.137 1.375 . . . . 0.0 112.779 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -47.94 -41.01 20.56 Favored Glycine 0 N--CA 1.479 1.536 0 C-N-CA 125.3 1.429 . . . . 0.0 116.304 -172.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -58.98 -16.94 20.5 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 126.112 1.765 . . . . 0.0 114.83 176.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -134.14 13.39 3.9 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.336 2.254 . . . . 0.0 111.947 -177.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -95.58 59.5 2.12 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.651 1.18 . . . . 0.0 112.079 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 54.0 p -54.93 157.06 6.05 Favored Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 125.643 1.577 . . . . 0.0 113.325 -172.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -48.36 -47.05 21.18 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 121.943 1.762 . . . . 0.0 114.883 173.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -59.68 -31.23 93.91 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.091 1.86 . . . . 0.0 114.98 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.37 -40.51 73.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 121.264 1.847 . . . . 0.0 112.852 -178.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 8.6 tm0? -57.82 -51.83 67.96 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.95 -44.23 86.84 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 123.683 0.793 . . . . 0.0 112.718 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -56.51 -54.32 47.15 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.877 1.271 . . . . 0.0 111.558 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -53.15 -50.6 64.23 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.589 0.631 . . . . 0.0 112.126 171.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -36.61 72.8 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 118.421 -0.799 . . . . 0.0 111.781 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -69.87 -38.29 76.36 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.706 1.139 . . . . 0.0 112.847 177.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.77 -47.36 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 CA-C-N 119.574 1.079 . . . . 0.0 110.559 167.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 65.9 t -78.5 -26.33 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 122.842 0.457 . . . . 0.0 112.176 -171.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.85 97.56 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.042 -1.661 . . . . 0.0 110.56 167.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.52 -47.39 90.19 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 124.146 0.879 . . . . 0.0 113.088 169.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . 0.567 HG21 ' CE2' ' B' ' 85' ' ' PHE . 0.4 OUTLIER -57.15 -46.03 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 CA-C-N 119.313 1.556 . . . . 0.0 111.837 174.448 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.91 89.91 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.858 0.754 . . . . 0.0 111.311 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.31 -39.22 86.22 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.58 0.752 . . . . 0.0 112.776 172.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.61 -42.41 78.18 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.721 -0.612 . . . . 0.0 112.285 175.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.17 -41.12 98.01 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.443 1.474 . . . . 0.0 111.53 173.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.6 -11.45 11.45 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.709 1.203 . . . . 0.0 114.092 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -53.47 -35.42 60.54 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 121.55 1.977 . . . . 0.0 114.237 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -76.37 -6.95 53.86 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 176.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.74 -21.98 5.47 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.649 1.98 . . . . 0.0 113.783 -176.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 . . . . . 0 C--O 1.256 1.445 0 C-N-CA 129.004 2.922 . . . . 0.0 114.696 -174.163 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.5 2.06 0 CA-C-O 116.314 -1.803 . . . . 0.0 108.351 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 46.3 mt 131.56 -169.95 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 131.256 3.822 . . . . 0.0 111.234 -173.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.34 165.26 23.45 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 127.145 2.178 . . . . 0.0 112.383 -173.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -73.72 -40.04 1.63 Allowed 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.299 1.999 . . . . 0.0 111.992 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.39 -34.19 61.07 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 118.771 -0.633 . . . . 0.0 112.264 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . 0.426 ' OD2' ' HE3' ' C' ' 127' ' ' LYS . 0.6 OUTLIER -61.09 -44.57 97.16 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.898 1.226 . . . . 0.0 110.713 178.011 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -51.6 -50.87 59.37 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.939 0.895 . . . . 0.0 112.381 173.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 53.4 m -54.84 -44.38 73.87 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.234 0.925 . . . . 0.0 111.533 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -72.43 -33.18 66.91 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.56 -51.23 70.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 119.206 0.912 . . . . 0.0 110.486 169.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.71 -41.62 95.6 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.875 0.87 . . . . 0.0 111.042 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.34 -54.18 49.66 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.382 0.673 . . . . 0.0 111.474 172.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.79 -54.03 47.46 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.576 0.625 . . . . 0.0 111.996 176.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -65.62 -25.03 67.2 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.98 -36.7 93.81 Favored Glycine 0 CA--C 1.535 1.282 0 O-C-N 121.177 -0.952 . . . . 0.0 113.208 169.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -77.08 -32.47 56.76 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 118.095 0.948 . . . . 0.0 111.829 172.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.19 -50.94 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.214 1.006 . . . . 0.0 111.318 173.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.55 -134.65 6.72 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 123.742 0.687 . . . . 0.0 113.798 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.91 -19.42 64.2 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -70.43 -6.54 36.5 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.114 -0.991 . . . . 0.0 113.58 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . 0.539 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -40.05 -56.4 1.87 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.496 1.518 . . . . 0.0 112.986 175.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.95 -33.62 87.73 Favored Glycine 0 N--CA 1.468 0.825 0 O-C-N 121.71 -0.619 . . . . 0.0 114.226 -178.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.31 -47.64 85.01 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.477 1.111 . . . . 0.0 109.628 173.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -67.53 -37.6 82.98 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 122.973 0.509 . . . . 0.0 112.057 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.11 -49.02 82.81 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-N 118.662 0.665 . . . . 0.0 112.669 171.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.96 -49.82 75.9 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.118 0.959 . . . . 0.0 111.214 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -57.47 -37.33 72.71 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 173.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . 0.412 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -67.83 -37.27 81.71 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.177 0.899 . . . . 0.0 113.002 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.34 -46.3 89.31 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.192 0.997 . . . . 0.0 111.634 170.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.65 -47.88 83.38 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.741 -0.599 . . . . 0.0 112.006 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 71.6 mtt85 -54.49 -46.11 73.38 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 118.153 -0.927 . . . . 0.0 111.711 173.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 63.8 ttp -57.49 -46.57 83.58 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.954 0.797 . . . . 0.0 112.521 177.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.5 -54.09 50.74 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 118.636 0.653 . . . . 0.0 111.008 172.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.75 -40.65 97.24 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.304 0.641 . . . . 0.0 112.131 -173.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 86.4 p -76.55 -29.78 56.82 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.038 1.335 . . . . 0.0 112.942 -176.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.77 76.3 23.78 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.769 1.628 . . . . 0.0 109.316 -172.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.51 -28.42 16.28 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 124.202 3.268 . . . . 0.0 115.317 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -40.64 -44.18 2.08 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.43 1.892 . . . . 0.0 113.44 165.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 64.8 p -64.01 -26.41 68.56 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -54.82 -31.12 58.88 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.649 1.113 . . . . 0.0 112.908 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 1.1 t -58.83 -31.35 68.4 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' TYR . . . . . 0.444 ' CD1' HG23 ' C' ' 93' ' ' VAL . 29.9 m-85 -80.27 11.79 3.33 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.855 1.262 . . . . 0.0 113.568 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -123.34 63.34 24.31 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 126.625 1.97 . . . . 0.0 110.661 172.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -70.38 -4.61 14.8 Favored 'Trans proline' 0 CA--C 1.547 1.165 0 C-N-CA 123.801 3.0 . . . . 0.0 114.544 -176.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.75 21.99 1.62 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.267 1.827 . . . . 0.0 113.893 -170.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -128.94 109.14 10.99 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.758 1.223 . . . . 0.0 110.328 -168.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -73.9 113.48 11.11 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.666 -0.646 . . . . 0.0 111.211 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 21.7 mt -89.08 34.93 0.79 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.975 0.91 . . . . 0.0 112.347 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 19.9 m -53.31 150.98 5.72 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.446 1.498 . . . . 0.0 112.22 174.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -58.25 125.03 21.48 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.217 -0.927 . . . . 0.0 111.064 176.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.71 20.53 78.66 Favored Glycine 0 CA--C 1.54 1.621 0 CA-C-O 118.772 -1.016 . . . . 0.0 115.092 -177.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.55 117.26 2.33 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.047 1.423 . . . . 0.0 114.206 -175.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.38 -35.94 68.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.482 1.113 . . . . 0.0 113.037 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -63.2 -38.31 90.65 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 173.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 96.2 t -70.56 -42.79 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 CA-C-N 119.721 1.146 . . . . 0.0 110.797 176.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -60.86 -47.68 85.25 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.882 0.873 . . . . 0.0 111.483 175.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.95 -57.51 19.33 Favored Glycine 0 C--O 1.223 -0.589 0 C-N-CA 125.244 1.402 . . . . 0.0 111.897 173.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -52.33 -43.68 64.72 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.681 1.24 . . . . 0.0 112.278 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.4 -49.29 39.19 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 123.987 0.803 . . . . 0.0 114.102 170.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -55.85 -44.85 78.42 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.418 1.109 . . . . 0.0 111.916 172.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -62.9 -51.98 64.83 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.058 0.845 . . . . 0.0 111.652 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 94.9 t -53.18 -47.76 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.041 0.936 . . . . 0.0 110.691 175.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . 0.539 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -73.25 -34.5 65.89 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -176.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -65.47 -36.59 84.33 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.12 -0.988 . . . . 0.0 111.612 170.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.18 70.4 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.119 -0.988 . . . . 0.0 112.708 168.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.26 -45.68 90.35 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 120.67 -1.269 . . . . 0.0 111.239 166.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 53.3 m -55.51 -46.05 77.04 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.219 1.372 . . . . 0.0 112.524 169.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -27.73 66.13 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.977 -1.077 . . . . 0.0 112.805 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.67 -56.37 16.27 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 117.35 -1.309 . . . . 0.0 110.469 160.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 92.9 t -48.62 -39.29 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 CA-C-N 121.396 1.907 . . . . 0.0 112.693 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.57 -24.68 66.39 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 175.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -145.45 42.0 1.25 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.005 1.722 . . . . 0.0 112.957 -169.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 7.5 p -87.27 -45.75 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 O-C-N 120.099 -1.625 . . . . 0.0 115.024 -161.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -80.37 -8.3 59.45 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-N 120.719 1.6 . . . . 0.0 111.669 174.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -118.7 1.94 11.64 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.402 -1.436 . . . . 0.0 113.556 -171.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 1.6 mtt -26.16 87.52 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.183 0 C-N-CA 128.304 2.642 . . . . 0.0 115.594 -167.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -90.91 47.31 0.67 Allowed 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.521 2.814 . . . . 0.0 111.607 -165.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . 0.342 0.0 OUTLIER 74.58 16.07 3.24 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 126.921 2.088 . . . . 0.0 114.397 -164.061 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.97 -16.69 60.42 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 116.173 1.916 . . . . 0.0 116.173 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 64.1 mt -101.52 4.22 40.89 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.614 1.097 . . . . 0.0 112.49 170.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 35.9 t -59.45 -36.95 76.9 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.735 -1.228 . . . . 0.0 113.662 -174.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.67 -28.07 63.43 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.156 0.889 . . . . 0.0 112.674 172.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mt -85.13 -43.12 14.13 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.841 1.257 . . . . 0.0 110.385 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -55.64 -38.54 69.66 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.844 -0.598 . . . . 0.0 111.528 169.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -64.62 -48.0 76.5 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.031 1.333 . . . . 0.0 112.66 171.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.29 -45.38 72.5 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.464 1.029 . . . . 0.0 110.334 175.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -69.28 -62.18 1.49 Allowed 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 121.655 -0.653 . . . . 0.0 110.361 178.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.64 -28.36 65.61 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -173.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -109.1 3.89 22.46 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.236 1.014 . . . . 0.0 113.03 -174.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -142.2 -36.04 0.42 Allowed 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -176.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.85 -48.35 0.33 Allowed 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -173.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 33.4 ttt85 52.61 49.8 19.57 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 127.549 2.339 . . . . 0.0 114.974 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . 0.444 HG23 ' CD1' ' C' ' 42' ' ' TYR . 6.3 t -59.35 148.42 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 123.49 0.716 . . . . 0.0 112.143 175.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.18 139.61 97.73 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 123.927 0.891 . . . . 0.0 111.591 175.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -52.17 -13.04 1.73 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 124.108 3.205 . . . . 0.0 115.547 170.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 9.2 p -51.35 -45.5 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 120.722 1.601 . . . . 0.0 111.962 168.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -58.97 -38.01 78.11 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.382 -0.824 . . . . 0.0 111.004 174.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . 0.453 ' CG ' ' HB3' ' C' ' 133' ' ' SER . 12.3 t80 -60.15 -51.25 70.42 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.826 173.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -57.24 -32.26 66.37 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 119.385 0.993 . . . . 0.0 112.152 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 56.9 mt -70.98 -57.36 4.63 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.216 1.006 . . . . 0.0 109.864 175.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 tp -51.2 -44.51 61.61 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.632 1.573 . . . . 0.0 112.729 176.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 88.4 p -66.1 -44.7 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.377 -0.827 . . . . 0.0 112.769 -178.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -38.87 88.88 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.691 -0.63 . . . . 0.0 111.181 170.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 104' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 76.3 m -64.28 -38.65 91.79 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.599 -0.688 . . . . 0.0 111.2 179.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 49.2 mt -63.16 -50.37 70.65 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 124.248 1.019 . . . . 0.0 111.551 172.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 10.4 mt -49.07 -47.45 44.98 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.476 1.034 . . . . 0.0 110.754 173.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.31 -48.35 67.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 123.412 0.685 . . . . 0.0 112.515 173.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -38.57 88.04 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.222 1.374 . . . . 0.0 112.384 177.315 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mt -59.29 -44.02 92.53 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.873 0.761 . . . . 0.0 109.904 176.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.76 -35.65 68.88 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.52 -0.737 . . . . 0.0 112.889 175.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.3 -7.05 11.49 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -137.82 -31.04 0.8 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -173.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 9.4 mp -76.2 170.45 15.96 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 124.808 1.243 . . . . 0.0 109.926 168.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -75.08 -128.55 0.01 OUTLIER 'Trans proline' 0 CA--C 1.545 1.038 0 C-N-CA 122.698 2.266 . . . . 0.0 108.908 164.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.47 61.06 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.274 1.43 . . . . 0.0 113.825 172.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -17.32 1.22 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 119.471 -2.018 . . . . 0.0 114.608 175.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.17 28.59 3.53 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.176 2.19 . . . . 0.0 112.852 179.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.58 170.76 1.24 Allowed Pre-proline 0 N--CA 1.496 1.869 0 O-C-N 119.103 -2.248 . . . . 0.0 111.145 168.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -56.84 -50.78 10.58 Favored 'Trans proline' 0 C--N 1.347 0.477 0 CA-C-N 122.635 1.977 . . . . 0.0 111.644 167.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.45 77.94 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 4.8 t -96.91 -37.97 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 119.6 1.091 . . . . 0.0 112.783 -176.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -69.75 -49.43 53.2 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.49 1.495 . . . . 0.0 111.461 176.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.14 -50.56 73.06 Favored 'General case' 0 C--N 1.345 0.403 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 10.2 t -48.68 -60.95 2.31 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 118.157 -0.925 . . . . 0.0 112.845 174.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 82.0 mt -65.9 -41.44 91.46 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.786 1.175 . . . . 0.0 112.269 -173.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.97 -50.31 72.61 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.473 1.033 . . . . 0.0 111.963 176.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 127' ' ' LYS . . . . . 0.426 ' HE3' ' OD2' ' C' ' 6' ' ' ASP . 0.0 OUTLIER -71.61 -31.32 66.78 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 178.82 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -60.36 -56.81 16.94 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.744 1.217 . . . . 0.0 109.879 171.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.36 -37.61 81.25 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.702 177.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.44 -38.2 74.04 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 120.58 1.536 . . . . 0.0 114.164 170.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 16.3 m -70.89 -37.14 72.99 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.261 -1.524 . . . . 0.0 112.804 170.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 95.2 t -57.41 -49.4 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 117.116 -1.421 . . . . 0.0 109.578 171.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 133' ' ' SER . . . . . 0.453 ' HB3' ' CG ' ' C' ' 98' ' ' PHE . 1.4 p -60.27 -43.81 95.86 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 121.04 1.745 . . . . 0.0 113.329 174.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 43.2 m -50.72 -48.62 58.83 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.922 1.237 . . . . 0.0 110.917 174.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 63.6 t -78.86 -26.4 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -177.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -3.24 30.37 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 120.342 -1.474 . . . . 0.0 113.279 168.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 82.4 m -123.43 -17.69 6.44 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.366 1.466 . . . . 0.0 112.498 -176.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 35.4 p -63.99 136.66 57.51 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.828 -1.17 . . . . 0.0 112.648 173.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -74.21 138.31 43.63 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.927 0.891 . . . . 0.0 110.458 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 54.2 -45.61 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 129.534 3.134 . . . . 0.0 118.251 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 . . . . . 0 C--O 1.25 1.113 0 C-N-CA 126.507 1.923 . . . . 0.0 110.762 173.506 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.308 1.4 p . . . . . 0 N--CA 1.515 2.79 0 CA-C-O 117.618 -1.182 . . . . 0.0 112.723 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 36.02 67.31 0.31 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 127.033 2.133 . . . . 0.0 114.66 172.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.23 162.39 4.6 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.375 0.67 . . . . 0.0 112.496 -173.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.87 151.22 85.8 Favored Pre-proline 0 N--CA 1.481 1.077 0 CA-C-O 118.545 -0.741 . . . . 0.0 109.582 166.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -52.77 -35.68 70.23 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.729 2.286 . . . . 0.0 114.537 172.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -73.4 -42.54 61.97 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.584 -0.698 . . . . 0.0 112.378 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -63.49 -44.92 92.98 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.431 -0.793 . . . . 0.0 111.541 173.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.78 -51.38 67.62 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.314 1.046 . . . . 0.0 110.665 172.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 40.5 t -51.62 -48.28 63.35 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.582 0.628 . . . . 0.0 111.061 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.26 -56.99 14.88 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 4.0 p -62.86 -49.23 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 120.032 1.287 . . . . 0.0 111.616 -178.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -75.27 -33.28 61.25 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.872 0.76 . . . . 0.0 112.56 -171.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.96 -35.72 78.86 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 120.457 1.48 . . . . 0.0 111.704 172.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -36.37 77.35 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.435 -0.791 . . . . 0.0 111.427 172.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -58.53 -42.81 88.62 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.934 0.894 . . . . 0.0 112.082 167.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.17 -31.71 59.38 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.519 1.533 . . . . 0.0 115.485 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -94.61 -12.55 27.24 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 118.436 1.118 . . . . 0.0 113.503 174.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.418 HG23 HG12 ' D' ' 23' ' ' VAL . 0.4 OUTLIER -63.34 137.54 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 124.172 0.989 . . . . 0.0 111.889 -168.793 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -85.11 83.72 7.94 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 175.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 42.5 t -53.69 -33.59 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 O-C-N 120.803 -1.185 . . . . 0.0 113.304 -169.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -38.79 92.25 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.707 1.603 . . . . 0.0 112.772 174.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -107.22 -40.26 5.46 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.329 0.652 . . . . 0.0 111.576 -166.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . 0.418 HG12 HG23 ' D' ' 18' ' ' VAL . 0.3 OUTLIER -61.24 -33.54 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 119.332 0.969 . . . . 0.0 110.723 162.516 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.16 -48.01 7.17 Favored Glycine 0 C--N 1.343 0.959 0 O-C-N 121.513 -0.742 . . . . 0.0 111.292 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.02 -43.35 95.09 Favored Glycine 0 C--N 1.338 0.669 0 CA-C-N 117.758 0.779 . . . . 0.0 112.564 171.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . 0.575 ' HB2' HH11 ' D' ' 30' ' ' ARG . 4.3 pt-20 -71.76 -43.64 65.41 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-O 116.743 -1.598 . . . . 0.0 112.1 175.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.97 96.14 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 122.588 2.449 . . . . 0.0 112.084 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 31.3 tp -68.17 -45.36 73.68 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.81 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.15 -44.41 93.16 Favored Glycine 0 N--CA 1.466 0.672 0 O-C-N 120.87 -1.143 . . . . 0.0 111.593 171.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 30' ' ' ARG . . . . . 0.584 ' HA ' HG23 ' D' ' 33' ' ' VAL . 0.6 OUTLIER -63.23 -21.8 66.46 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 116.793 -1.575 . . . . 0.0 113.991 177.139 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.64 -55.27 18.4 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 120.882 1.674 . . . . 0.0 110.475 160.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.86 -31.76 72.58 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.494 -0.754 . . . . 0.0 111.993 -172.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 33' ' ' VAL . . . . . 0.584 HG23 ' HA ' ' D' ' 30' ' ' ARG . 12.2 m -68.27 -20.07 25.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 178.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 t -63.36 -4.1 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 CA-C-N 120.761 1.618 . . . . 0.0 112.095 176.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 45.57 45.4 2.31 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 126.187 1.795 . . . . 0.0 111.729 -161.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -76.17 167.5 25.8 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 N-CA-C 109.192 -1.119 . . . . 0.0 109.192 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -51.83 -23.06 4.25 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 168.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 3.2 p -57.56 -23.64 51.74 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 120.723 -1.236 . . . . 0.0 112.538 171.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -55.54 -19.23 9.28 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.796 1.238 . . . . 0.0 113.348 174.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . 0.412 ' HD3' ' CD2' ' D' ' 41' ' ' PHE . 0.0 OUTLIER -51.18 -39.99 57.64 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 121.268 1.849 . . . . 0.0 112.742 167.53 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 41' ' ' PHE . . . . . 0.412 ' CD2' ' HD3' ' D' ' 40' ' ' ARG . 67.3 m-85 -88.95 6.56 38.9 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.436 1.095 . . . . 0.0 113.472 -178.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.14 -27.04 5.16 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 176.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -50.61 -18.17 0.64 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.618 2.767 . . . . 0.0 116.367 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 30.7 p -109.24 -3.03 17.53 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.756 1.623 . . . . 0.0 114.161 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -96.76 -17.17 20.45 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -171.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.16 150.78 0.57 Allowed Glycine 0 CA--C 1.537 1.429 0 CA-C-N 119.329 0.968 . . . . 0.0 114.611 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 12.7 t0 37.51 -82.62 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 128.963 2.905 . . . . 0.0 115.834 -173.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 42.81 -12.25 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.251 1 C-N-CA 132.513 4.325 . . . . 0.0 121.588 176.398 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 21.9 t -57.99 -17.29 16.34 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.21 1.804 . . . . 0.0 114.635 -171.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 50' ' ' THR . . . . . 0.458 ' HG1' ' H ' ' D' ' 53' ' ' ALA . 2.1 p -136.86 166.25 28.78 Favored Pre-proline 0 N--CA 1.471 0.611 0 C-N-CA 126.742 2.017 . . . . 0.0 109.82 -176.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -59.51 -53.53 3.32 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 121.693 1.596 . . . . 0.0 112.37 174.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.49 -35.91 72.95 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.135 0.974 . . . . 0.0 111.769 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . 0.458 ' H ' ' HG1' ' D' ' 50' ' ' THR . . . -61.78 -60.04 4.25 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.296 0.638 . . . . 0.0 111.635 170.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 1.5 p -65.43 -35.27 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 120.552 -1.342 . . . . 0.0 113.53 -171.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 5.9 mtt -77.13 -30.61 55.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.555 0.742 . . . . 0.0 112.867 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.61 -24.13 24.35 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.928 0.775 . . . . 0.0 114.277 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 57' ' ' ASN . . . . . 0.46 HD21 HG21 ' D' ' 60' ' ' VAL . 7.6 t30 -62.16 125.86 86.38 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 124.647 1.179 . . . . 0.0 112.769 -174.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.12 -38.27 37.46 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.16 2.574 . . . . 0.0 113.891 -170.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -61.55 -40.23 93.97 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.216 -0.927 . . . . 0.0 112.394 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 60' ' ' VAL . . . . . 0.46 HG21 HD21 ' D' ' 57' ' ' ASN . 99.5 t -63.36 -38.05 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.658 0.783 . . . . 0.0 110.912 172.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -67.94 -47.79 67.71 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 120.14 1.336 . . . . 0.0 111.901 175.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.71 76.52 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.032 0.933 . . . . 0.0 113.326 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -36.58 80.61 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.796 -1.19 . . . . 0.0 111.055 171.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.06 -48.01 64.64 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 126.179 1.847 . . . . 0.0 113.167 169.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -60.66 -34.44 74.31 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 118.461 -0.78 . . . . 0.0 112.638 171.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -68.99 -50.32 50.01 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.375 0.989 . . . . 0.0 113.079 176.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -52.61 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 120.112 1.324 . . . . 0.0 111.118 174.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 tt -72.5 -32.31 66.07 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -177.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.59 -35.89 75.45 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.082 1.325 . . . . 0.0 112.82 170.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.53 -47.21 86.6 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.708 1.254 . . . . 0.0 111.173 166.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . 0.423 ' CE1' HG13 ' D' ' 137' ' ' VAL . 2.0 m-30 -58.98 -34.73 72.16 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 120.459 -1.401 . . . . 0.0 111.645 177.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.77 -44.36 77.66 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.527 1.131 . . . . 0.0 113.593 171.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -34.0 68.4 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.682 0.793 . . . . 0.0 111.456 170.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.25 -63.93 4.6 Favored Glycine 0 C--N 1.338 0.684 0 CA-C-O 118.976 -0.902 . . . . 0.0 111.671 167.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 5.8 mt -51.78 -31.72 28.13 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.018 1.409 . . . . 0.0 114.085 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.22 -25.69 51.92 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.773 1.629 . . . . 0.0 115.13 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -145.94 44.81 1.26 Allowed 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.798 1.639 . . . . 0.0 112.632 -170.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 78' ' ' LEU . . . . . 0.457 HD21 HD23 ' D' ' 81' ' ' LEU . 32.4 mt -57.43 -18.08 16.32 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -178.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -50.47 -40.01 49.64 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.517 1.527 . . . . 0.0 113.791 170.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.0 96.15 2.29 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.032 0.933 . . . . 0.0 112.053 -175.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 81' ' ' LEU . . . . . 0.457 HD23 HD21 ' D' ' 78' ' ' LEU . 28.8 mt -81.27 -45.75 15.79 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -57.0 -23.82 49.03 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 173.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.46 -7.82 64.76 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.504 1.526 . . . . 0.0 115.023 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.65 -19.16 12.59 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 118.937 1.368 . . . . 0.0 112.81 175.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 85' ' ' PHE . . . . . 0.563 ' CE2' HG21 ' D' ' 137' ' ' VAL . 18.6 m-85 -108.44 5.36 25.25 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 177.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.05 -39.45 56.01 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 121.092 1.769 . . . . 0.0 114.97 -173.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 10.1 p -64.69 -35.97 82.77 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.389 1.076 . . . . 0.0 112.981 172.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.88 -41.67 71.03 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 124.533 1.133 . . . . 0.0 110.601 172.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -57.18 -42.23 80.8 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.711 1.141 . . . . 0.0 110.947 172.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -65.91 -44.72 84.39 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.285 -0.884 . . . . 0.0 112.635 172.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 51.3 tp -62.3 -50.76 70.4 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 120.584 -1.322 . . . . 0.0 112.08 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 56.4 m80 -78.99 -8.4 58.88 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -176.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 11.3 t -119.45 -66.04 1.11 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.835 0.743 . . . . 0.0 112.744 176.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.3 -36.08 82.93 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.544 -1.348 . . . . 0.0 114.064 -177.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -94.39 -69.23 0.76 Allowed 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 65.2 mt -77.84 -32.92 52.39 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.335 1.054 . . . . 0.0 112.171 -175.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 52.31 21.57 1.73 Allowed 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -176.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -45.8 127.9 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.94 1.296 . . . . 0.0 111.137 174.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -68.22 132.58 91.66 Favored Pre-proline 0 CA--C 1.548 0.892 0 CA-C-O 118.705 -0.664 . . . . 0.0 111.918 -173.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -48.11 -24.71 5.84 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 124.951 3.767 . . . . 0.0 118.42 -174.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -51.36 -35.52 38.88 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.934 1.243 . . . . 0.0 112.11 171.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -66.6 -35.23 79.68 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.471 1.508 . . . . 0.0 111.277 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -65.29 -46.55 79.96 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.708 0.803 . . . . 0.0 110.814 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 41.0 mtt85 -62.79 -43.69 98.14 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.715 -0.615 . . . . 0.0 111.75 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 19.5 mt -55.1 -49.77 70.88 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.242 172.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.4 -34.0 70.26 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.378 0.671 . . . . 0.0 112.641 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 107' ' ' GLY . . . . . 0.41 ' HA3' HG12 ' D' ' 134' ' ' VAL . . . -68.2 -51.55 32.4 Favored Glycine 0 N--CA 1.466 0.686 0 O-C-N 121.309 -0.869 . . . . 0.0 113.864 169.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -63.88 -33.7 76.3 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 122.069 -0.666 . . . . 0.0 112.661 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 15.8 m -68.03 -42.03 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 117.776 -1.107 . . . . 0.0 112.481 169.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 42.2 tp -59.91 -49.13 78.88 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 121.214 1.825 . . . . 0.0 111.329 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 33.6 m -59.01 -34.86 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 118.629 0.649 . . . . 0.0 111.917 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 8.0 t -64.41 -41.06 96.84 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.648 0.658 . . . . 0.0 112.762 171.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . 0.265 1.5 m -72.46 -38.36 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 120.271 1.396 . . . . 0.0 112.977 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 21.6 mt -56.0 -42.91 77.13 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.386 0.674 . . . . 0.0 110.576 170.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.31 -22.43 64.88 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -76.52 -63.68 1.28 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 121.406 1.912 . . . . 0.0 111.359 168.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -63.31 -23.42 67.41 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.951 0.722 . . . . 0.0 112.951 -168.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -125.71 18.79 7.98 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.117 1.367 . . . . 0.0 112.76 -175.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -47.91 -40.83 20.09 Favored Glycine 0 N--CA 1.48 1.592 0 C-N-CA 125.326 1.441 . . . . 0.0 116.378 -172.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -59.19 -16.88 22.99 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 126.0 1.72 . . . . 0.0 114.834 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -134.17 13.35 3.89 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.371 2.268 . . . . 0.0 111.929 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -95.43 59.42 2.16 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.688 1.195 . . . . 0.0 112.163 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 52.6 p -54.93 157.02 6.1 Favored Pre-proline 0 N--CA 1.478 0.966 0 C-N-CA 125.653 1.581 . . . . 0.0 113.393 -172.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -48.35 -46.95 21.47 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 121.882 1.721 . . . . 0.0 114.903 173.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -59.72 -31.24 93.85 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 122.07 1.847 . . . . 0.0 114.863 172.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.36 -40.54 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 121.212 1.824 . . . . 0.0 112.779 -178.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -58.01 -51.62 68.89 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.98 87.89 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.531 0.733 . . . . 0.0 112.668 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -56.65 -54.24 48.43 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.96 1.304 . . . . 0.0 111.57 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -53.17 -50.67 64.13 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.699 0.681 . . . . 0.0 112.154 170.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -36.52 72.89 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.797 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -69.77 -38.26 76.66 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.714 1.143 . . . . 0.0 112.924 176.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 22.4 t -59.81 -47.34 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-N 119.664 1.12 . . . . 0.0 110.493 167.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 134' ' ' VAL . . . . . 0.41 HG12 ' HA3' ' D' ' 107' ' ' GLY . 65.2 t -78.67 -26.21 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 121.943 -0.473 . . . . 0.0 112.08 -171.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.81 97.5 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 120.143 -1.598 . . . . 0.0 110.596 167.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.7 -47.39 90.51 Favored Glycine 0 CA--C 1.532 1.099 0 CA-C-O 118.98 -0.9 . . . . 0.0 112.956 169.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 137' ' ' VAL . . . . . 0.563 HG21 ' CE2' ' D' ' 85' ' ' PHE . 0.4 OUTLIER -57.08 -45.94 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 119.232 1.516 . . . . 0.0 111.867 174.659 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.44 -43.67 89.71 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 118.707 0.685 . . . . 0.0 111.413 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.3 -39.3 86.48 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.7 0.8 . . . . 0.0 112.754 172.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.55 -42.49 78.32 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.74 -0.6 . . . . 0.0 112.44 175.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 7.0 mt -62.0 -41.24 97.84 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.311 1.414 . . . . 0.0 111.549 172.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.49 -11.51 11.12 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.691 1.196 . . . . 0.0 114.117 171.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -53.6 -35.37 60.79 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 121.403 1.91 . . . . 0.0 114.153 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -76.34 -7.08 54.21 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.83 -21.81 5.47 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 126.546 1.939 . . . . 0.0 113.664 -176.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 . . . . . 0 C--O 1.256 1.43 0 C-N-CA 129.042 2.937 . . . . 0.0 114.778 -174.115 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.277 9.2 p . . . . . 0 N--CA 1.511 2.616 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 47.4 mt -111.02 176.03 5.18 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 120.443 1.474 . . . . 0.0 111.926 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -94.24 163.49 23.12 Favored Pre-proline 0 N--CA 1.479 0.977 0 C-N-CA 125.366 1.466 . . . . 0.0 110.708 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -74.89 -43.0 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 121.943 1.762 . . . . 0.0 113.02 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.11 -45.83 72.61 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.763 -0.586 . . . . 0.0 111.972 -175.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -66.21 -32.96 74.7 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 118.449 -0.786 . . . . 0.0 111.668 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -52.93 -53.09 54.59 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.375 0.989 . . . . 0.0 111.633 170.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.3 m -58.09 -40.6 81.53 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.603 0.761 . . . . 0.0 111.332 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -68.15 -34.55 76.54 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 177.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.77 -50.37 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.411 1.005 . . . . 0.0 110.435 167.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -56.61 -47.12 80.32 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 118.973 0.806 . . . . 0.0 111.615 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.55 -48.11 81.97 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.245 1.018 . . . . 0.0 112.064 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.1 -51.99 61.37 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 175.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 17.6 t-105 -64.9 -25.91 68.09 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.137 -0.977 . . . . 0.0 113.29 -177.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.36 -42.21 93.54 Favored Glycine 0 CA--C 1.538 1.518 0 O-C-N 121.175 -0.953 . . . . 0.0 113.21 166.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -69.16 -31.52 70.23 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.121 0.96 . . . . 0.0 112.223 174.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.401 HG11 ' HB3' ' A' ' 21' ' ' ALA . 86.0 t -68.93 -14.19 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 125.556 1.542 . . . . 0.0 113.397 176.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.52 134.95 4.13 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 124.907 1.241 . . . . 0.0 114.816 176.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 59.62 -32.16 0.05 Allowed 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 128.665 2.786 . . . . 0.0 116.961 -171.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -78.66 -11.08 59.96 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.757 1.223 . . . . 0.0 114.013 173.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -49.84 -48.87 50.79 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.798 1.239 . . . . 0.0 113.504 -175.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.19 -38.16 91.79 Favored Glycine 0 N--CA 1.472 1.044 0 O-C-N 121.785 -0.572 . . . . 0.0 113.901 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -58.82 -45.61 89.57 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.528 1.131 . . . . 0.0 111.202 171.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -64.99 -39.08 92.93 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.361 -0.837 . . . . 0.0 112.682 174.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.63 -47.61 90.08 Favored Glycine 0 CA--C 1.534 1.242 0 CA-C-N 119.049 0.841 . . . . 0.0 112.716 172.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.61 -47.24 87.09 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.87 0.868 . . . . 0.0 111.615 176.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -59.07 -40.45 85.25 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 121.51 -0.744 . . . . 0.0 112.846 171.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.24 93.69 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.596 1.089 . . . . 0.0 112.136 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.9 mt -63.06 -50.49 70.41 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.256 1.023 . . . . 0.0 111.697 172.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.55 -49.02 79.22 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.53 0.732 . . . . 0.0 112.644 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.8 ttm105 -60.39 -41.16 93.26 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.949 1.3 . . . . 0.0 111.287 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 39.2 ttp -60.2 -49.14 78.79 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.351 0.978 . . . . 0.0 112.917 170.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.78 -38.96 76.36 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.974 -0.454 . . . . 0.0 112.144 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.7 mt -75.5 -41.56 54.97 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.715 0.806 . . . . 0.0 112.683 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.0 p -75.14 -22.72 57.96 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -174.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -139.41 73.39 36.43 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.899 1.28 . . . . 0.0 109.914 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -48.9 -27.72 12.01 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 124.84 3.693 . . . . 0.0 115.441 -174.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -35.48 -45.88 0.36 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 128.038 2.535 . . . . 0.0 113.445 166.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.3 p -60.05 -27.37 66.88 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.477 1.511 . . . . 0.0 114.866 -177.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -60.22 -24.51 64.89 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.315 0.962 . . . . 0.0 113.239 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -57.62 -28.18 63.44 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -65.56 -21.88 66.64 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.454 -0.779 . . . . 0.0 112.981 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 t80 33.26 57.09 1.53 Allowed Pre-proline 0 CA--C 1.558 1.262 0 C-N-CA 127.938 2.495 . . . . 0.0 114.147 175.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -81.04 51.56 3.99 Favored 'Trans proline' 0 CA--C 1.549 1.229 0 C-N-CA 124.797 3.664 . . . . 0.0 113.718 -157.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.265 31.2 p80 46.38 31.56 1.31 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 127.107 2.163 . . . . 0.0 114.729 -169.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -90.55 152.39 20.93 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.671 1.188 . . . . 0.0 111.04 168.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -121.08 109.44 15.04 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.149 1.38 . . . . 0.0 108.63 168.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.6 mt -76.96 31.27 0.13 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.1 1.36 . . . . 0.0 112.975 -176.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.8 t -62.38 152.9 32.79 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.302 1.441 . . . . 0.0 112.015 177.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -56.57 116.48 3.14 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.736 0.814 . . . . 0.0 111.421 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.69 12.74 79.53 Favored Glycine 0 CA--C 1.539 1.559 0 CA-C-O 118.83 -0.983 . . . . 0.0 115.397 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.4 t -51.61 116.45 2.11 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.113 1.456 . . . . 0.0 114.071 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.44 -27.04 68.27 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.11 -45.09 87.83 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.934 0.788 . . . . 0.0 111.833 174.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.81 -42.45 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.668 0.787 . . . . 0.0 111.254 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.73 -47.88 81.66 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.178 0.591 . . . . 0.0 111.743 175.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.86 -50.88 59.95 Favored Glycine 0 N--CA 1.468 0.768 0 C-N-CA 124.764 1.173 . . . . 0.0 112.409 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -59.39 -39.49 83.54 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.445 1.122 . . . . 0.0 112.054 174.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.33 -51.81 48.65 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 121.293 -0.879 . . . . 0.0 113.306 168.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -57.3 -41.76 80.46 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.401 1.08 . . . . 0.0 113.013 172.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -63.0 -51.94 64.9 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.948 1.249 . . . . 0.0 112.469 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 77.0 t -56.02 -44.58 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-N 119.361 0.982 . . . . 0.0 110.923 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.448 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -64.59 -46.14 83.98 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 177.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.88 -36.05 83.09 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.163 -0.961 . . . . 0.0 111.875 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.17 -37.92 89.11 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 169.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.97 -42.56 97.22 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 118.958 0.799 . . . . 0.0 112.069 168.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 57.1 m -58.68 -45.59 89.1 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.515 1.507 . . . . 0.0 111.788 172.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -57.96 -42.35 84.8 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.771 1.228 . . . . 0.0 112.497 172.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.93 -53.73 55.08 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.612 0.642 . . . . 0.0 111.328 171.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.9 t -56.7 -39.98 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.174 0.99 . . . . 0.0 111.993 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.06 -18.45 65.35 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -138.93 25.07 2.55 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.053 1.341 . . . . 0.0 112.313 -173.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.3 p -63.15 -23.42 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 -151.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.75 -4.38 57.7 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 174.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -124.02 2.32 8.65 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.769 2.428 . . . . 0.0 112.544 176.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.404 ' HA ' ' HB2' ' A' ' 79' ' ' ALA . 20.1 ptt? -54.67 -22.94 0.82 Allowed Pre-proline 0 CA--C 1.542 0.658 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 175.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -46.52 -23.38 2.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 123.236 2.624 . . . . 0.0 116.276 163.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -103.41 -42.43 5.71 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.611 1.096 . . . . 0.0 112.48 167.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.404 ' HB2' ' HA ' ' A' ' 76' ' ' MET . . . -63.54 -11.05 21.23 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -176.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 88.1 mt -109.35 7.77 25.23 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.042 1.337 . . . . 0.0 113.537 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 94.9 p -56.03 -33.61 65.09 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -175.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.79 -17.54 49.95 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 174.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.2 mt -106.13 -39.44 5.96 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.233 1.013 . . . . 0.0 111.357 -169.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.8 p -55.82 -43.61 77.12 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.936 -0.554 . . . . 0.0 110.283 157.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -56.98 -52.77 63.93 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 171.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.1 pp -60.94 -37.29 81.82 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.987 1.267 . . . . 0.0 112.832 -175.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -72.37 -47.33 50.27 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.592 1.087 . . . . 0.0 111.264 173.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.2 70.43 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -116.02 12.3 15.61 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -173.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -145.17 -28.71 0.46 Allowed 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 116.747 2.129 . . . . 0.0 116.747 176.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 70.0 mt -139.49 -25.88 0.83 Allowed 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 117.061 2.245 . . . . 0.0 117.061 -166.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 27.71 42.78 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 130.392 3.477 . . . . 0.0 117.431 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 76.4 t -69.56 138.89 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 O-C-N 120.948 -1.095 . . . . 0.0 110.522 173.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.85 161.26 78.81 Favored Pre-proline 0 CA--C 1.556 1.208 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.34 -14.67 4.71 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 124.514 3.476 . . . . 0.0 118.761 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.2 p -55.45 -38.5 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 122.079 2.218 . . . . 0.0 112.415 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -65.34 -29.97 70.77 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 133' ' ' SER . 0.0 OUTLIER -59.42 -57.51 12.65 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.828 1.195 . . . . 0.0 109.126 168.525 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -54.2 -48.92 70.46 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.139 0.576 . . . . 0.0 109.971 -172.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 56.9 mt -56.95 -61.11 2.67 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.36 1.064 . . . . 0.0 111.81 175.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -35.68 81.18 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.602 1.092 . . . . 0.0 111.625 -174.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.1 m -65.39 -44.16 88.38 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.818 1.19 . . . . 0.0 113.165 174.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -57.78 -46.8 84.06 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.252 -0.905 . . . . 0.0 110.564 170.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 99.3 m -63.68 -33.77 76.37 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 178.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.3 mt -64.88 -54.17 35.13 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 124.589 1.156 . . . . 0.0 111.067 171.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.4 mt -51.66 -44.02 62.89 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.602 0.761 . . . . 0.0 110.781 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.9 t -53.94 -48.09 63.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.53 1.132 . . . . 0.0 112.639 171.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -40.14 95.6 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.557 1.526 . . . . 0.0 113.457 171.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.8 mt -63.99 -43.98 94.03 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.098 0.863 . . . . 0.0 110.073 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.16 -34.79 46.49 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.175 0.99 . . . . 0.0 113.519 171.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.19 -9.84 59.67 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 -174.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -132.98 -31.13 1.31 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -175.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -72.46 171.47 9.77 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 118.855 0.752 . . . . 0.0 109.808 166.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.43 -158.47 0.01 OUTLIER 'Trans proline' 0 CA--C 1.546 1.091 0 C-N-CA 124.153 3.235 . . . . 0.0 113.241 156.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.7 52.57 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.02 1.728 . . . . 0.0 114.511 173.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -6.29 0.11 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.762 2.425 . . . . 0.0 115.643 -178.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -79.77 14.5 1.7 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.565 1.546 . . . . 0.0 113.871 168.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.5 p -54.16 155.87 6.18 Favored Pre-proline 0 N--CA 1.472 0.664 0 CA-C-N 119.383 0.992 . . . . 0.0 111.189 174.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -52.37 -31.56 47.98 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.478 2.119 . . . . 0.0 115.055 168.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.27 -33.33 65.19 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 175.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.1 t -110.7 -29.03 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 O-C-N 121.081 -1.012 . . . . 0.0 112.746 -166.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.37 -53.09 21.2 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 120.501 -1.374 . . . . 0.0 112.603 177.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.88 91.2 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 118.587 0.63 . . . . 0.0 110.539 172.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.6 t -49.2 -61.59 2.0 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.937 0.895 . . . . 0.0 111.943 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.05 -40.69 87.16 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.752 0.705 . . . . 0.0 112.717 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.66 -52.96 54.58 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.644 1.111 . . . . 0.0 111.984 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER -69.29 -25.42 64.24 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.319 0.648 . . . . 0.0 112.006 178.499 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -64.75 -54.87 24.67 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.912 1.233 . . . . 0.0 112.222 165.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.95 -37.47 82.48 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.894 1.224 . . . . 0.0 112.324 177.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.39 90.94 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 170.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.8 t -63.54 -42.01 98.42 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 120.384 -1.447 . . . . 0.0 112.318 170.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 66.8 t -58.73 -48.98 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 O-C-N 120.984 -1.073 . . . . 0.0 111.183 174.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.409 ' HB3' ' CD1' ' A' ' 98' ' ' PHE . 84.3 p -69.06 -40.62 78.41 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.338 0.972 . . . . 0.0 113.108 177.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.9 m -47.77 -51.15 23.42 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.001 1.32 . . . . 0.0 110.339 167.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 26.8 t -62.78 -44.76 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 O-C-N 121.438 -0.789 . . . . 0.0 111.586 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -13.64 23.79 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 176.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 2.5 t -115.59 -5.01 12.19 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.928 1.291 . . . . 0.0 113.051 175.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 68.7 m -66.58 178.0 1.41 Allowed 'General case' 0 CA--C 1.547 0.865 0 O-C-N 120.662 -1.274 . . . . 0.0 110.971 149.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm 57.79 23.49 9.68 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.268 1.427 . . . . 0.0 114.494 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -63.86 138.88 58.67 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.581 -0.699 . . . . 0.0 111.037 169.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.254 1.301 0 C-N-CA 129.665 3.186 . . . . 0.0 116.433 -171.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.339 2.6 p . . . . . 0 N--CA 1.513 2.709 0 CA-C-O 116.83 -1.557 . . . . 0.0 112.713 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 7.7 p80 24.7 71.51 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 127.581 2.352 . . . . 0.0 115.969 176.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.24 156.3 15.74 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.706 0.802 . . . . 0.0 111.64 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.607 ' HG1' ' H ' ' B' ' 7' ' ' GLU . 19.6 p -68.12 160.88 72.46 Favored Pre-proline 0 N--CA 1.479 1.014 0 O-C-N 121.724 -0.61 . . . . 0.0 110.542 163.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.52 -40.24 84.54 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 122.571 2.181 . . . . 0.0 113.673 172.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.66 -40.76 72.81 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.273 0.629 . . . . 0.0 112.196 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.607 ' H ' ' HG1' ' B' ' 4' ' ' THR . 92.5 mt-10 -60.66 -51.3 69.98 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.675 -0.64 . . . . 0.0 111.01 172.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -57.34 -44.37 84.21 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 118.055 -0.974 . . . . 0.0 111.604 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.5 t -55.85 -49.97 71.87 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.651 0.659 . . . . 0.0 111.078 175.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.0 -51.11 71.48 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.442 HG21 ' CZ ' ' B' ' 130' ' ' TYR . 2.8 p -66.37 -50.4 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 119.47 1.032 . . . . 0.0 112.108 177.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 27.1 m -67.92 -37.99 82.36 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 121.418 -0.801 . . . . 0.0 111.426 -170.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.71 94.24 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.255 0.934 . . . . 0.0 112.582 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.25 -40.68 77.73 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.695 -0.628 . . . . 0.0 111.055 175.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -37.38 72.32 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.794 -1.191 . . . . 0.0 112.924 168.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.53 -30.04 70.92 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.797 1.189 . . . . 0.0 114.994 175.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -100.51 -10.54 20.96 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 176.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.47 141.16 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 124.213 1.005 . . . . 0.0 112.424 -176.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -88.87 79.41 7.37 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.049 0.94 . . . . 0.0 109.772 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 89.1 t -48.1 -45.13 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 125.129 1.372 . . . . 0.0 114.616 -166.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.45 -54.62 43.38 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.903 0.881 . . . . 0.0 112.349 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -68.6 -54.91 13.57 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.521 0.728 . . . . 0.0 111.311 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.02 -33.42 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 O-C-N 121.514 -0.741 . . . . 0.0 112.696 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.0 -43.04 50.28 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.566 -0.574 . . . . 0.0 111.811 175.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.78 -45.83 94.91 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-N 118.05 0.925 . . . . 0.0 112.465 173.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -44.9 91.68 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 117.936 0.868 . . . . 0.0 111.028 172.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.22 -51.01 70.75 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 120.144 1.338 . . . . 0.0 112.709 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 tp -68.43 -35.72 78.03 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.569 -0.707 . . . . 0.0 111.825 -178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.25 -54.69 32.63 Favored Glycine 0 C--N 1.338 0.668 0 CA-C-N 119.391 0.996 . . . . 0.0 111.493 170.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.553 ' HA ' HG23 ' B' ' 33' ' ' VAL . 5.0 mtt-85 -45.42 -41.39 9.22 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 125.167 1.387 . . . . 0.0 113.648 175.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 31.7 tp -49.17 -52.76 24.61 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 124.022 0.826 . . . . 0.0 110.797 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.55 -32.73 66.3 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.278 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.553 HG23 ' HA ' ' B' ' 30' ' ' ARG . 0.8 OUTLIER -69.05 -9.1 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 178.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.44 -7.6 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-N 119.613 1.097 . . . . 0.0 112.997 166.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 10.3 t80 51.44 49.75 7.57 Favored Pre-proline 0 CA--C 1.561 1.379 0 O-C-N 120.466 -1.396 . . . . 0.0 113.915 -165.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -84.64 164.88 12.21 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.85 2.367 . . . . 0.0 113.182 -177.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -58.4 -30.24 66.69 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 165.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 64.6 p -56.6 -27.34 57.92 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 120.99 -1.069 . . . . 0.0 113.25 176.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -7.22 20.35 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 178.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -54.15 -24.74 19.12 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 121.463 1.938 . . . . 0.0 114.564 175.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -93.68 4.46 53.9 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 176.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.08 -18.84 1.59 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.83 -30.3 63.63 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.584 1.154 . . . . 0.0 113.629 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 80.8 p -79.69 -12.55 59.8 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -82.95 -15.4 51.44 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 120.992 -1.068 . . . . 0.0 111.873 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.82 25.63 74.11 Favored Glycine 0 N--CA 1.477 1.37 0 C-N-CA 125.397 1.475 . . . . 0.0 116.385 161.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -155.16 -119.33 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.247 1.019 . . . . 0.0 110.91 -164.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . 0.271 0.0 OUTLIER 51.64 3.52 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 130.513 3.525 . . . . 0.0 118.893 166.793 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 59.4 p -64.14 -17.92 63.93 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.345 1.458 . . . . 0.0 114.235 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 23.6 p -138.66 157.35 72.18 Favored Pre-proline 0 N--CA 1.473 0.698 0 C-N-CA 125.173 1.389 . . . . 0.0 111.437 172.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -63.94 -37.57 43.11 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.951 2.434 . . . . 0.0 113.989 177.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -71.33 -26.79 62.98 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.66 -51.57 26.88 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.622 0.769 . . . . 0.0 112.355 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -60.01 -35.6 62.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -171.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 27.3 ttm -83.72 -6.43 59.43 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.98 -20.67 5.19 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 125.14 1.352 . . . . 0.0 114.802 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -51.5 119.34 12.87 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 126.235 1.814 . . . . 0.0 113.067 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -47.09 -40.0 26.21 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 124.307 3.338 . . . . 0.0 115.308 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.88 -38.46 86.35 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.653 1.115 . . . . 0.0 112.556 178.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 85.1 t -69.53 -37.72 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 118.915 0.779 . . . . 0.0 111.253 173.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -61.46 -49.29 77.38 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.395 0.998 . . . . 0.0 112.024 171.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.42 -52.13 62.87 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.663 1.185 . . . . 0.0 112.717 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -34.03 72.27 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 120.89 -1.131 . . . . 0.0 111.324 173.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.12 -47.13 91.18 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.716 1.627 . . . . 0.0 113.957 169.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -57.76 -46.2 84.87 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 118.341 1.07 . . . . 0.0 111.003 169.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.72 -52.58 64.85 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.582 0.753 . . . . 0.0 112.619 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 p -58.31 -45.47 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-N 119.558 1.072 . . . . 0.0 112.019 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 tt -63.76 -40.21 96.14 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.78 -0.575 . . . . 0.0 111.681 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.01 -34.6 72.98 Favored Glycine 0 N--CA 1.473 1.101 0 C-N-CA 125.556 1.55 . . . . 0.0 114.926 177.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.17 -44.67 83.39 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.086 -1.244 . . . . 0.0 111.709 167.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.533 ' CE2' HD21 ' B' ' 110' ' ' LEU . 1.8 m-85 -62.91 -41.49 99.47 Favored 'General case' 0 CA--C 1.553 1.06 0 O-C-N 120.677 -1.265 . . . . 0.0 111.759 178.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.0 p -68.77 -39.04 80.42 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.761 -1.212 . . . . 0.0 113.12 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -58.4 -39.91 80.99 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 119.319 0.963 . . . . 0.0 111.868 169.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.85 -52.39 52.45 Favored Glycine 0 N--CA 1.467 0.744 0 C-N-CA 124.035 0.826 . . . . 0.0 112.132 174.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 32.0 mt -59.31 -8.97 1.92 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -111.74 -6.47 14.31 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.07 1.748 . . . . 0.0 114.262 176.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -138.43 30.02 2.4 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.891 1.677 . . . . 0.0 112.984 -177.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 76.4 mt -56.58 -20.69 22.15 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 -177.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -58.86 -40.75 85.24 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.126 0.97 . . . . 0.0 113.094 175.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -149.02 35.45 0.75 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.807 1.243 . . . . 0.0 113.286 -173.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -48.41 -28.05 3.01 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -54.12 -31.84 53.39 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.698 1.599 . . . . 0.0 113.523 176.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -89.12 -37.15 7.29 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.136 0.874 . . . . 0.0 113.855 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.95 -23.39 67.38 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 118.59 1.195 . . . . 0.0 113.955 -175.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -102.49 4.56 38.78 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -178.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.53 -35.1 52.66 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 120.784 1.629 . . . . 0.0 115.168 -170.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 24.7 p -66.66 -38.04 86.03 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.618 1.167 . . . . 0.0 112.947 173.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 30.0 mt -68.33 -41.46 80.75 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.778 0.831 . . . . 0.0 110.875 171.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -60.1 -38.39 82.82 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.011 0.823 . . . . 0.0 111.786 175.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.83 -49.3 75.46 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.616 -0.677 . . . . 0.0 112.199 171.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 45.8 tp -55.26 -51.18 67.46 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.099 -1.001 . . . . 0.0 111.57 174.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -76.07 -11.26 59.91 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -175.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 49.3 t -107.95 -80.87 0.57 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.326 1.05 . . . . 0.0 110.647 171.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -56.99 -20.69 25.36 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -172.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -116.33 -5.26 11.8 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 176.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 96.1 mt -144.07 -37.07 0.33 Allowed 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 -174.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 40.54 25.77 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.265 2.626 . . . . 0.0 116.129 -172.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 3.7 m -58.44 132.06 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.225 1.01 . . . . 0.0 111.93 -176.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.74 146.59 94.46 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 125.212 1.405 . . . . 0.0 113.499 -168.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -49.97 -36.5 44.28 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.842 3.028 . . . . 0.0 116.691 -175.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.96 -28.27 56.3 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.916 0.886 . . . . 0.0 112.893 174.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -69.38 -42.29 75.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.537 1.135 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -61.22 -47.76 84.6 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 122.883 0.473 . . . . 0.0 110.677 171.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -58.8 -41.27 86.32 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.699 0.8 . . . . 0.0 112.226 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.99 -48.29 82.52 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.37 0.668 . . . . 0.0 112.598 174.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.7 tt -61.98 -37.63 85.53 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.25 0.477 . . . . 0.0 111.162 175.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -50.92 -60.84 6.63 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 124.686 1.136 . . . . 0.0 114.162 167.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -50.12 -51.03 46.43 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.185 0.994 . . . . 0.0 111.595 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 48.6 t -57.07 -52.31 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 123.41 0.684 . . . . 0.0 111.963 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.533 HD21 ' CE2' ' B' ' 71' ' ' PHE . 46.3 tp -58.82 -50.38 74.17 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.812 0.845 . . . . 0.0 111.579 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 15.1 m -64.61 -32.41 57.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 118.628 0.649 . . . . 0.0 111.752 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 34.5 t -70.31 -29.01 65.63 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.458 -0.776 . . . . 0.0 112.485 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 1.1 t -62.63 -36.96 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 O-C-N 120.705 -1.247 . . . . 0.0 111.025 171.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.81 -40.45 88.06 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.408 0.683 . . . . 0.0 110.033 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.27 -29.27 65.68 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 172.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -74.1 -62.89 1.35 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.665 1.12 . . . . 0.0 113.029 168.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -64.54 -24.0 67.46 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -171.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -126.91 36.46 4.45 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.057 1.743 . . . . 0.0 110.737 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.38 -13.63 23.21 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 125.572 1.558 . . . . 0.0 116.215 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -84.91 -7.75 59.04 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.718 1.207 . . . . 0.0 113.425 169.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -130.06 -4.28 4.48 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.379 1.871 . . . . 0.0 113.57 -170.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.39 40.7 0.08 Allowed 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 127.847 2.459 . . . . 0.0 115.713 -173.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 61.1 p -49.57 145.99 7.51 Favored Pre-proline 0 N--CA 1.477 0.894 0 O-C-N 119.776 -1.827 . . . . 0.0 113.149 -172.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_exo -42.63 -44.3 8.58 Favored 'Trans proline' 0 CA--C 1.548 1.189 0 C-N-CA 123.162 2.575 . . . . 0.0 115.84 174.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.24 -27.05 35.25 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.798 1.665 . . . . 0.0 115.381 173.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.91 -46.71 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 122.358 2.345 . . . . 0.0 112.483 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -63.63 -35.68 81.32 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.944 1.247 . . . . 0.0 111.667 174.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.84 95.55 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.972 0.806 . . . . 0.0 112.665 171.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.6 -47.1 87.72 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.326 0.65 . . . . 0.0 111.401 177.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' TYR . . . . . 0.442 ' CZ ' HG21 ' B' ' 11' ' ' VAL . 30.2 m-85 -53.86 -55.47 26.46 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 122.458 0.303 . . . . 0.0 111.747 168.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -56.68 -36.19 69.32 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.807 -1.183 . . . . 0.0 113.233 -176.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -67.48 -38.48 84.47 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 120.189 1.359 . . . . 0.0 114.045 173.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.6 -33.69 50.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 CA-C-N 120.495 1.498 . . . . 0.0 112.429 171.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . 0.446 HG22 ' CE2' ' B' ' 71' ' ' PHE . 47.2 t -68.61 -34.74 66.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-N 119.017 0.826 . . . . 0.0 111.866 175.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.17 -43.48 82.64 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 119.935 -1.728 . . . . 0.0 111.0 167.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.53 -52.58 50.98 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-O 119.636 -0.536 . . . . 0.0 113.222 170.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -42.91 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 118.378 1.089 . . . . 0.0 111.835 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.25 -47.43 79.67 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.883 0.873 . . . . 0.0 111.921 177.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -62.08 -36.3 81.26 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.3 -44.01 80.3 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.641 0.655 . . . . 0.0 112.441 174.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.49 -39.38 93.3 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.055 1.298 . . . . 0.0 111.896 172.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.97 -4.67 13.89 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 173.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -57.45 -37.82 73.46 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.126 -1.609 . . . . 0.0 113.557 -176.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -74.27 -4.07 33.91 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 174.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.84 -12.18 15.24 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.746 2.019 . . . . 0.0 113.255 -175.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.259 1.575 0 C-N-CA 127.229 2.212 . . . . 0.0 116.565 -173.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.274 9.4 p . . . . . 0 N--CA 1.511 2.609 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 47.7 mt -110.89 176.06 5.18 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 120.502 1.501 . . . . 0.0 111.999 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 59.6 p -93.92 163.6 23.3 Favored Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 125.296 1.439 . . . . 0.0 110.726 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.84 -43.1 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.036 1.824 . . . . 0.0 112.948 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.03 -45.67 73.33 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.781 -0.575 . . . . 0.0 112.096 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -66.44 -33.01 74.75 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.432 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -52.83 -53.01 54.86 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 119.408 1.003 . . . . 0.0 111.619 170.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 88.0 m -58.27 -39.94 80.56 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.558 0.743 . . . . 0.0 111.09 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -69.47 -34.09 73.84 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 72.6 t -64.14 -50.09 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 119.317 0.962 . . . . 0.0 110.48 167.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -56.48 -47.19 79.75 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 119.226 0.921 . . . . 0.0 111.742 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.58 -48.0 82.4 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.225 1.01 . . . . 0.0 111.908 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.16 -51.86 61.82 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.959 0.504 . . . . 0.0 112.205 175.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -65.36 -25.41 67.57 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.228 -0.92 . . . . 0.0 113.214 -176.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.77 -42.15 94.33 Favored Glycine 0 CA--C 1.537 1.411 0 O-C-N 121.174 -0.954 . . . . 0.0 113.164 167.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -68.97 -31.62 70.62 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 118.138 0.969 . . . . 0.0 112.288 174.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' VAL . . . . . 0.406 HG11 ' HB2' ' C' ' 21' ' ' ALA . 77.5 t -68.63 -14.53 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.803 1.641 . . . . 0.0 113.509 176.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.45 135.12 4.01 Favored Glycine 0 CA--C 1.542 1.762 0 C-N-CA 124.837 1.208 . . . . 0.0 114.638 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 59.44 -32.0 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 128.641 2.776 . . . . 0.0 116.961 -171.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -78.49 -11.25 59.94 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.068 1.347 . . . . 0.0 114.024 172.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . 0.462 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -49.85 -49.02 50.73 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.793 1.237 . . . . 0.0 113.509 -175.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.19 -37.85 91.57 Favored Glycine 0 N--CA 1.474 1.202 0 O-C-N 121.622 -0.674 . . . . 0.0 113.932 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.92 -45.85 89.36 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.515 1.126 . . . . 0.0 111.418 170.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -64.68 -39.24 93.32 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.187 -0.946 . . . . 0.0 112.841 174.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.78 -47.45 90.91 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-N 118.885 0.766 . . . . 0.0 112.594 172.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.8 -47.09 87.91 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.765 0.826 . . . . 0.0 111.678 176.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -59.13 -40.38 85.3 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 171.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.05 93.23 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.63 1.104 . . . . 0.0 112.364 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.8 -50.87 69.3 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.44 1.096 . . . . 0.0 111.672 172.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -60.54 -48.94 79.54 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.368 0.667 . . . . 0.0 112.462 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 ttm105 -60.22 -41.48 93.16 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.899 1.279 . . . . 0.0 111.157 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 39.3 ttp -60.03 -49.18 78.66 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.358 0.981 . . . . 0.0 112.923 171.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -57.75 -39.0 76.33 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.961 -0.462 . . . . 0.0 112.199 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 76.7 mt -75.48 -41.55 55.18 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.585 0.754 . . . . 0.0 112.684 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 70.4 p -75.0 -22.79 58.31 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -174.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -139.68 73.6 34.53 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 125.01 1.324 . . . . 0.0 109.945 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -49.08 -27.62 12.53 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 124.909 3.739 . . . . 0.0 115.405 -174.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -35.39 -45.89 0.35 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 128.095 2.558 . . . . 0.0 113.382 166.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 77.0 p -60.71 -26.93 67.52 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.433 1.493 . . . . 0.0 114.7 -176.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -60.01 -24.62 64.63 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.273 0.942 . . . . 0.0 113.3 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -57.69 -28.09 63.51 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -65.57 -21.85 66.63 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 t80 33.29 56.93 1.53 Allowed Pre-proline 0 CA--C 1.556 1.198 0 C-N-CA 127.796 2.438 . . . . 0.0 114.249 175.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -81.05 51.61 4.01 Favored 'Trans proline' 0 CA--C 1.548 1.209 0 C-N-CA 124.793 3.662 . . . . 0.0 113.758 -157.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.266 31.3 p80 46.4 31.51 1.3 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 127.07 2.148 . . . . 0.0 114.715 -169.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -90.46 152.27 21.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.644 1.178 . . . . 0.0 111.139 168.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -120.92 109.45 15.12 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.243 1.417 . . . . 0.0 108.681 168.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 69.9 mt -76.76 31.23 0.13 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.973 1.309 . . . . 0.0 113.126 -176.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 14.0 t -62.32 153.04 32.11 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.2 1.4 . . . . 0.0 112.04 177.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -56.76 116.5 3.2 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.763 0.825 . . . . 0.0 111.432 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.82 12.67 79.45 Favored Glycine 0 CA--C 1.538 1.481 0 CA-C-O 118.862 -0.965 . . . . 0.0 115.348 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 47.5 t -51.61 116.45 2.11 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.225 1.512 . . . . 0.0 114.124 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -27.11 68.29 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.258 1.023 . . . . 0.0 113.703 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.18 -45.11 88.1 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 119.016 0.826 . . . . 0.0 111.809 175.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.83 -42.27 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.59 0.756 . . . . 0.0 111.303 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -62.9 -47.81 81.7 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.101 0.56 . . . . 0.0 111.639 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.92 -50.73 61.18 Favored Glycine 0 N--CA 1.467 0.725 0 C-N-CA 124.714 1.149 . . . . 0.0 112.473 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -59.47 -39.62 84.29 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.456 1.128 . . . . 0.0 111.949 174.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.21 -51.83 48.06 Favored Glycine 0 CA--C 1.532 1.126 0 O-C-N 121.347 -0.846 . . . . 0.0 113.323 168.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -57.38 -41.57 80.46 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.3 1.04 . . . . 0.0 113.002 172.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -63.27 -51.86 64.41 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 119.819 1.19 . . . . 0.0 112.409 175.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 77.5 t -55.98 -44.78 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 119.441 1.019 . . . . 0.0 110.934 176.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . 0.462 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -64.07 -46.94 82.09 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 176.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.28 -35.9 82.34 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.132 -0.98 . . . . 0.0 111.866 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.4 -38.04 89.62 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 169.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.55 -42.58 98.37 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.12 0.873 . . . . 0.0 112.308 168.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 57.3 m -58.72 -45.71 88.98 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 120.36 1.437 . . . . 0.0 111.677 172.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -58.05 -42.16 84.83 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.813 1.245 . . . . 0.0 112.419 172.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.02 -54.05 51.54 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.564 0.62 . . . . 0.0 111.252 171.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -56.44 -40.11 65.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.17 0.988 . . . . 0.0 111.912 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.1 -18.3 65.26 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -138.97 25.06 2.54 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.935 1.294 . . . . 0.0 112.242 -172.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 1.3 p -63.12 -23.47 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 -151.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.64 -4.35 57.83 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 174.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -124.02 2.45 8.66 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 127.702 2.401 . . . . 0.0 112.63 176.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 20.0 ptt? -54.53 -23.18 0.87 Allowed Pre-proline 0 CA--C 1.544 0.718 0 N-CA-C 116.602 2.075 . . . . 0.0 116.602 175.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -46.36 -23.59 2.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 C-N-CA 123.252 2.635 . . . . 0.0 116.238 163.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -103.27 -42.54 5.71 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.703 1.138 . . . . 0.0 112.44 168.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.42 -11.21 21.35 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 115.818 1.785 . . . . 0.0 115.818 -176.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 88.5 mt -109.38 8.08 25.29 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.884 1.274 . . . . 0.0 113.56 175.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 95.8 p -56.25 -33.58 65.57 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -175.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.59 -17.68 48.06 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 174.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 18.0 mt -105.98 -39.61 5.94 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.366 1.067 . . . . 0.0 111.391 -169.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 2.8 p -55.89 -43.79 77.56 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.989 -0.529 . . . . 0.0 110.091 157.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -56.86 -52.7 64.1 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 171.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 pp -60.91 -37.35 81.96 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.872 1.214 . . . . 0.0 112.767 -175.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -72.43 -47.28 50.26 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.638 1.108 . . . . 0.0 111.179 173.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.84 -32.45 70.68 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -177.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -115.82 12.38 15.85 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -173.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 9.8 ttpp -145.17 -28.79 0.45 Allowed 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 176.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 69.9 mt -139.33 -26.09 0.83 Allowed 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 -166.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 27.91 42.69 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 130.362 3.465 . . . . 0.0 117.37 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.41 138.65 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 O-C-N 121.016 -1.053 . . . . 0.0 110.538 172.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.67 161.21 78.63 Favored Pre-proline 0 CA--C 1.557 1.237 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -53.37 -14.77 4.87 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 124.516 3.477 . . . . 0.0 118.784 -178.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 5.1 p -55.24 -38.5 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 122.126 2.239 . . . . 0.0 112.579 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -65.42 -29.92 70.67 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 175.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . 0.41 ' CD1' ' HB3' ' C' ' 133' ' ' SER . 0.0 OUTLIER -59.53 -57.49 12.74 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 119.774 1.17 . . . . 0.0 109.13 168.514 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -54.04 -49.0 69.95 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.081 0.552 . . . . 0.0 110.075 -172.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 57.5 mt -57.36 -60.51 3.53 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.975 0.91 . . . . 0.0 111.945 175.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.56 -35.37 80.26 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.774 1.17 . . . . 0.0 111.801 -174.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 58.0 m -65.51 -44.23 87.64 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.648 1.113 . . . . 0.0 113.151 174.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 60.0 m170 -57.64 -47.05 83.31 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.285 0.948 . . . . 0.0 110.697 169.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 98.5 m -63.36 -34.04 76.85 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 19.8 mt -65.12 -53.51 44.1 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.54 1.136 . . . . 0.0 111.149 171.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 61.4 mt -51.87 -44.06 63.54 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.287 1.035 . . . . 0.0 110.64 176.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 10.1 t -54.15 -48.23 66.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 124.56 1.144 . . . . 0.0 112.539 171.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -40.68 96.99 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.361 1.437 . . . . 0.0 113.263 172.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.73 -43.74 95.62 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.296 0.953 . . . . 0.0 110.184 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.31 -34.77 48.43 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 171.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.89 -10.03 59.68 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -174.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -132.86 -31.38 1.32 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -174.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.2 mp -72.33 171.12 10.44 Favored Pre-proline 0 CA--C 1.554 1.125 0 CA-C-N 118.758 0.708 . . . . 0.0 109.894 166.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.31 -158.32 0.01 OUTLIER 'Trans proline' 0 CA--C 1.548 1.19 0 C-N-CA 124.145 3.23 . . . . 0.0 113.307 156.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.75 52.17 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.072 1.749 . . . . 0.0 114.716 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.16 -6.51 0.1 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 127.92 2.488 . . . . 0.0 115.626 -178.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -80.07 14.78 1.71 Allowed 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.494 1.518 . . . . 0.0 113.792 168.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 5.6 p -54.44 156.16 6.36 Favored Pre-proline 0 N--CA 1.468 0.474 0 CA-C-N 119.169 0.895 . . . . 0.0 110.991 174.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -52.8 -31.43 51.43 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 122.391 2.061 . . . . 0.0 115.082 168.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.21 -33.38 65.34 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 175.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 47.2 t -110.82 -28.97 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 121.092 -1.005 . . . . 0.0 112.605 -166.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.37 -53.2 20.65 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.662 -1.274 . . . . 0.0 112.532 177.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.83 91.08 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 118.797 0.726 . . . . 0.0 110.648 172.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 7.5 t -49.17 -61.85 1.85 Allowed 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.039 0.936 . . . . 0.0 111.961 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.76 -41.16 88.22 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.754 0.706 . . . . 0.0 112.851 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.0 -53.91 42.58 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.562 1.074 . . . . 0.0 112.007 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . 0.272 0.0 OUTLIER -68.39 -25.55 65.11 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.324 0.65 . . . . 0.0 112.405 177.82 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -64.9 -54.87 23.95 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.868 1.213 . . . . 0.0 112.054 165.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.02 -37.3 82.06 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 120.027 1.285 . . . . 0.0 112.351 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.48 -38.48 91.29 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.471 0.708 . . . . 0.0 112.676 170.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 21.9 t -63.4 -42.14 98.77 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 120.445 -1.409 . . . . 0.0 112.49 169.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.6 -48.93 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 120.909 -1.12 . . . . 0.0 111.307 174.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 133' ' ' SER . . . . . 0.41 ' HB3' ' CD1' ' C' ' 98' ' ' PHE . 84.9 p -68.9 -40.78 78.96 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.275 0.943 . . . . 0.0 113.121 177.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 1.9 m -47.71 -51.3 22.45 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.954 1.302 . . . . 0.0 110.313 167.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 32.9 t -63.31 -42.16 95.36 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 O-C-N 121.406 -0.809 . . . . 0.0 112.917 175.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -13.48 40.08 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 174.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 2.4 t -115.35 -5.01 12.31 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.893 1.277 . . . . 0.0 113.185 175.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 68.5 m -66.56 177.96 1.41 Allowed 'General case' 0 CA--C 1.546 0.799 0 O-C-N 120.606 -1.309 . . . . 0.0 110.962 149.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm 57.69 23.64 9.69 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 125.33 1.452 . . . . 0.0 114.514 -177.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -63.86 138.94 58.7 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.54 -0.725 . . . . 0.0 111.024 169.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.181 0 C-N-CA 129.571 3.148 . . . . 0.0 116.391 -171.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.338 2.6 p . . . . . 0 N--CA 1.514 2.766 0 CA-C-O 116.849 -1.548 . . . . 0.0 112.712 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 7.7 p80 24.84 71.39 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 127.452 2.301 . . . . 0.0 115.983 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.07 156.14 15.58 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.803 0.841 . . . . 0.0 111.697 178.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.603 ' HG1' ' H ' ' D' ' 7' ' ' GLU . 20.0 p -68.01 160.93 71.72 Favored Pre-proline 0 N--CA 1.477 0.905 0 O-C-N 121.692 -0.63 . . . . 0.0 110.607 163.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -54.53 -40.25 84.57 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 122.734 2.289 . . . . 0.0 113.646 172.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.67 -40.89 72.71 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.38 0.672 . . . . 0.0 112.252 178.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 7' ' ' GLU . . . . . 0.603 ' H ' ' HG1' ' D' ' 4' ' ' THR . 92.4 mt-10 -60.42 -51.46 69.38 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.729 -0.607 . . . . 0.0 111.032 171.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -57.17 -44.47 83.55 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.626 177.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 34.5 t -55.77 -50.1 71.34 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 118.532 0.605 . . . . 0.0 110.995 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.77 -51.28 70.67 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 11' ' ' VAL . . . . . 0.441 HG21 ' CZ ' ' D' ' 130' ' ' TYR . 2.6 p -67.73 -47.05 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 119.576 1.08 . . . . 0.0 112.556 178.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 27.6 m -69.83 -38.43 76.53 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 120.319 -1.488 . . . . 0.0 111.281 -171.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.95 -39.07 92.93 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.008 -1.058 . . . . 0.0 112.268 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.67 -40.58 76.33 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.988 -0.445 . . . . 0.0 110.925 175.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -37.27 72.08 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.031 -1.043 . . . . 0.0 112.971 168.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.65 -29.7 70.48 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.673 1.13 . . . . 0.0 114.995 175.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -100.74 -10.61 20.66 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.38 141.21 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.192 0.997 . . . . 0.0 112.496 -176.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -88.97 79.4 7.3 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.06 0.944 . . . . 0.0 109.677 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 88.1 t -48.05 -45.11 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 125.192 1.397 . . . . 0.0 114.604 -166.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -60.53 -54.88 40.16 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.775 0.83 . . . . 0.0 112.249 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -68.12 -55.1 13.63 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.443 0.697 . . . . 0.0 111.339 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 p -64.99 -33.38 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 O-C-N 121.492 -0.755 . . . . 0.0 112.583 -175.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.02 -42.87 50.65 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-N 118.474 0.579 . . . . 0.0 111.763 175.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.93 -45.54 95.45 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-N 118.031 0.916 . . . . 0.0 112.505 173.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -44.74 92.76 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 117.847 0.824 . . . . 0.0 111.027 172.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.91 -51.41 69.4 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 120.044 1.293 . . . . 0.0 112.688 176.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 tp -68.57 -35.44 77.39 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.641 -0.662 . . . . 0.0 111.892 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.23 -54.6 33.34 Favored Glycine 0 N--CA 1.466 0.671 0 CA-C-N 119.463 1.029 . . . . 0.0 111.463 170.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 30' ' ' ARG . . . . . 0.575 ' HA ' HG23 ' D' ' 33' ' ' VAL . 4.7 mtt-85 -44.75 -44.91 9.63 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.642 1.577 . . . . 0.0 112.0 175.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 32.5 tp -46.38 -53.52 10.8 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.91 0.756 . . . . 0.0 110.563 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.21 -32.84 67.12 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.02 0.827 . . . . 0.0 111.002 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 33' ' ' VAL . . . . . 0.575 HG23 ' HA ' ' D' ' 30' ' ' ARG . 0.8 OUTLIER -69.08 -9.03 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 178.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.52 -7.44 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-N 119.543 1.065 . . . . 0.0 112.996 166.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 10.3 t80 51.31 49.73 7.6 Favored Pre-proline 0 CA--C 1.564 1.511 0 O-C-N 120.48 -1.388 . . . . 0.0 113.878 -165.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -84.44 164.83 12.59 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.81 2.34 . . . . 0.0 113.191 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -58.3 -30.22 66.48 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 165.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 59.7 p -56.58 -27.34 57.68 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 120.843 -1.161 . . . . 0.0 113.184 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -6.97 19.44 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 178.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -54.47 -24.59 20.98 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 121.26 1.845 . . . . 0.0 114.649 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -93.63 4.41 53.99 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.748 1.219 . . . . 0.0 114.041 176.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.35 -18.72 1.72 Allowed 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 116.39 1.996 . . . . 0.0 116.39 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -56.61 -30.48 63.3 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.601 1.16 . . . . 0.0 113.743 177.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 81.0 p -79.66 -12.3 59.82 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 175.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -83.14 -15.43 50.73 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 121.106 -0.996 . . . . 0.0 111.795 177.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.88 25.69 74.15 Favored Glycine 0 N--CA 1.476 1.361 0 C-N-CA 125.391 1.472 . . . . 0.0 116.303 161.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -155.22 -119.26 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 124.249 1.02 . . . . 0.0 110.994 -164.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . 0.267 0.0 OUTLIER 51.52 3.59 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 130.717 3.607 . . . . 0.0 118.826 166.769 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 59.6 p -64.09 -17.73 63.7 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.202 1.401 . . . . 0.0 114.38 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 22.8 p -138.76 157.27 72.14 Favored Pre-proline 0 N--CA 1.475 0.78 0 C-N-CA 125.195 1.398 . . . . 0.0 111.332 172.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -63.9 -37.45 44.23 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.922 2.415 . . . . 0.0 114.013 177.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.96 -28.67 64.64 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.29 -51.59 35.75 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.653 0.781 . . . . 0.0 112.378 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.93 -35.57 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -171.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 27.4 ttm -83.9 -6.27 59.39 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.82 -20.81 5.21 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.093 1.33 . . . . 0.0 114.918 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -51.35 119.39 12.66 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 126.304 1.842 . . . . 0.0 113.043 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.16 -39.97 26.7 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 124.248 3.299 . . . . 0.0 115.275 174.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.87 -38.44 86.32 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.671 1.123 . . . . 0.0 112.584 178.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 85.2 t -69.6 -37.69 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 118.78 0.718 . . . . 0.0 111.3 173.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -61.41 -49.49 76.65 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.339 0.972 . . . . 0.0 111.957 171.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.39 -51.88 63.97 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.502 1.121 . . . . 0.0 112.846 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -33.79 72.29 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.685 -1.259 . . . . 0.0 111.444 173.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.29 -47.12 91.47 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.799 1.666 . . . . 0.0 113.941 169.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -57.67 -46.19 84.58 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.366 1.083 . . . . 0.0 111.074 169.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.95 -52.34 65.9 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-O 118.454 -0.784 . . . . 0.0 112.668 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 p -58.12 -46.05 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 119.636 1.107 . . . . 0.0 112.116 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 tt -63.29 -40.1 96.42 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.587 -0.696 . . . . 0.0 111.768 176.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.44 -37.64 82.97 Favored Glycine 0 N--CA 1.47 0.961 0 C-N-CA 125.672 1.606 . . . . 0.0 113.145 177.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.38 -44.22 92.03 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 117.973 0.886 . . . . 0.0 111.898 169.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 71' ' ' PHE . . . . . 0.538 ' CE2' HD21 ' D' ' 110' ' ' LEU . 1.8 m-85 -63.1 -41.24 99.34 Favored 'General case' 0 CA--C 1.551 0.99 0 O-C-N 120.646 -1.284 . . . . 0.0 111.586 178.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 78.6 p -69.39 -37.96 77.77 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.931 -1.106 . . . . 0.0 113.336 174.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -58.43 -40.33 82.26 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.501 1.046 . . . . 0.0 111.552 168.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.95 -52.32 52.96 Favored Glycine 0 C--N 1.339 0.712 0 C-N-CA 124.073 0.844 . . . . 0.0 112.153 174.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 32.2 mt -59.11 -9.25 1.9 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.328 1.451 . . . . 0.0 114.91 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -111.49 -6.72 14.39 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.299 1.839 . . . . 0.0 114.382 176.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -138.34 30.04 2.42 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.702 1.601 . . . . 0.0 112.918 -177.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 75.5 mt -56.67 -20.45 21.61 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -177.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -59.05 -40.63 85.69 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.175 0.99 . . . . 0.0 113.067 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -149.06 35.44 0.75 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 124.753 1.221 . . . . 0.0 113.289 -173.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -48.39 -28.04 2.97 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -54.17 -31.81 53.75 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.64 1.576 . . . . 0.0 113.495 176.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -89.14 -37.06 7.31 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.15 0.881 . . . . 0.0 113.907 176.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.99 -23.47 67.46 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 118.576 1.188 . . . . 0.0 113.988 -175.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -102.41 4.53 38.95 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -177.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.53 -34.96 52.29 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 120.814 1.643 . . . . 0.0 115.23 -170.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 24.6 p -66.79 -38.09 85.86 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.708 1.203 . . . . 0.0 112.924 173.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 29.8 mt -68.31 -41.64 80.58 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.716 0.806 . . . . 0.0 110.918 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 3.5 m -59.72 -38.46 81.74 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.073 0.851 . . . . 0.0 111.906 174.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -62.94 -49.29 75.33 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.638 -0.664 . . . . 0.0 112.144 171.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 45.7 tp -55.26 -51.17 67.52 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.037 -1.04 . . . . 0.0 111.6 174.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -75.94 -11.43 59.96 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -175.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 49.2 t -107.95 -80.73 0.57 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.146 0.978 . . . . 0.0 110.696 171.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -56.95 -20.65 24.85 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 -172.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -116.32 -5.25 11.8 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 175.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 96.2 mt -144.19 -37.1 0.32 Allowed 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 40.67 25.76 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.163 2.585 . . . . 0.0 116.217 -172.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 3.6 m -58.54 132.01 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.235 1.014 . . . . 0.0 111.887 -176.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.56 146.6 93.74 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 125.198 1.399 . . . . 0.0 113.532 -168.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -50.0 -36.53 44.63 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.941 3.094 . . . . 0.0 116.734 -175.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.9 -27.91 54.22 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.986 0.915 . . . . 0.0 113.001 174.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -70.22 -41.97 72.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.302 1.041 . . . . 0.0 110.901 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -61.1 -47.9 84.18 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.172 0.589 . . . . 0.0 110.719 171.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -58.82 -40.82 85.29 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.969 0.908 . . . . 0.0 112.604 178.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.26 -48.42 81.5 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.593 0.757 . . . . 0.0 112.85 173.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.01 -37.83 86.33 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 118.569 0.622 . . . . 0.0 110.869 175.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -51.48 -60.34 7.43 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 125.045 1.307 . . . . 0.0 114.357 167.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -49.62 -51.74 35.41 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.796 1.238 . . . . 0.0 111.923 173.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.42 -53.52 39.47 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.949 0.9 . . . . 0.0 111.591 177.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 110' ' ' LEU . . . . . 0.538 HD21 ' CE2' ' D' ' 71' ' ' PHE . 46.2 tp -58.63 -49.88 75.89 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.09 0.859 . . . . 0.0 111.521 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 m -64.42 -32.47 57.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 C-N-CA 120.053 -0.659 . . . . 0.0 112.367 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 35.3 t -70.24 -28.26 65.11 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.08 -1.013 . . . . 0.0 112.398 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 1.1 t -63.06 -37.27 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 O-C-N 120.753 -1.217 . . . . 0.0 111.346 171.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 mt -65.96 -41.05 91.73 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.939 0.896 . . . . 0.0 110.248 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.1 -29.34 65.39 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 172.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -74.23 -62.93 1.35 Allowed 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.802 1.183 . . . . 0.0 112.869 168.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -64.55 -23.98 67.45 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -171.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -127.14 36.4 4.43 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.002 1.721 . . . . 0.0 110.724 -177.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.28 -13.58 22.21 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 125.539 1.542 . . . . 0.0 116.253 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -84.99 -7.82 58.99 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.625 1.17 . . . . 0.0 113.468 169.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -129.69 -4.72 4.67 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.442 1.897 . . . . 0.0 113.671 -170.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.79 40.65 0.07 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 127.761 2.425 . . . . 0.0 115.935 -173.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 66.6 p -49.99 146.13 8.42 Favored Pre-proline 0 N--CA 1.473 0.682 0 O-C-N 119.719 -1.863 . . . . 0.0 113.179 -172.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -42.57 -44.54 8.45 Favored 'Trans proline' 0 CA--C 1.55 1.276 0 C-N-CA 123.184 2.589 . . . . 0.0 115.859 174.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.05 -26.96 36.52 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 121.709 1.606 . . . . 0.0 115.378 173.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.02 -46.49 78.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 122.364 2.347 . . . . 0.0 112.452 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -63.62 -36.05 82.53 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.177 1.353 . . . . 0.0 111.424 174.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.48 -45.58 93.21 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.989 0.813 . . . . 0.0 112.64 171.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.07 -48.1 82.84 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.908 0.883 . . . . 0.0 111.286 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 130' ' ' TYR . . . . . 0.441 ' CZ ' HG21 ' D' ' 11' ' ' VAL . 29.2 m-85 -54.38 -54.43 40.62 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 122.074 -0.391 . . . . 0.0 111.509 169.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -57.28 -35.85 70.3 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.921 -1.112 . . . . 0.0 113.207 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -67.83 -38.12 82.79 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 120.021 1.282 . . . . 0.0 114.059 173.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 11.0 p -71.74 -33.77 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 120.469 1.486 . . . . 0.0 112.244 171.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 48.6 t -68.69 -34.49 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 119.029 0.831 . . . . 0.0 111.847 174.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.9 -42.97 85.8 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.036 -1.04 . . . . 0.0 111.109 168.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.43 -52.68 50.29 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 123.519 0.58 . . . . 0.0 113.284 170.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.8 -43.15 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 118.416 1.108 . . . . 0.0 111.891 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.81 -47.88 79.08 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.015 0.926 . . . . 0.0 111.747 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -62.13 -36.24 81.19 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.764 -0.585 . . . . 0.0 112.563 174.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.0 -44.26 80.79 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.694 0.679 . . . . 0.0 112.422 174.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 8.3 mt -62.27 -39.69 93.74 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.273 1.397 . . . . 0.0 111.918 172.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.77 -4.64 13.04 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 173.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -57.65 -37.83 74.03 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 120.054 -1.654 . . . . 0.0 113.41 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -74.11 -4.13 33.79 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 174.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.84 -12.3 15.22 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.816 2.047 . . . . 0.0 113.201 -175.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.256 1.447 0 C-N-CA 127.201 2.201 . . . . 0.0 116.535 -173.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.509 2.486 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.8 mt -142.06 -167.41 2.46 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.738 1.615 . . . . 0.0 112.956 -170.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.26 164.0 30.5 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 127.899 2.48 . . . . 0.0 111.03 -178.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.04 -44.25 0.13 Allowed 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.436 2.09 . . . . 0.0 113.269 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.17 72.35 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.597 -0.689 . . . . 0.0 112.453 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.44 -45.52 84.59 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.615 0.643 . . . . 0.0 110.921 176.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -53.81 -49.54 68.12 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.863 0.865 . . . . 0.0 110.766 175.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.2 m -56.04 -45.58 79.17 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.384 0.674 . . . . 0.0 112.127 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -67.41 -35.62 79.65 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.555 -0.716 . . . . 0.0 112.611 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.5 t -65.22 -51.19 68.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 118.628 0.649 . . . . 0.0 111.192 172.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.3 -41.15 83.78 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.189 0.996 . . . . 0.0 111.036 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.7 -53.98 50.87 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.655 0.782 . . . . 0.0 111.841 173.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.46 -54.76 41.93 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.492 0.587 . . . . 0.0 111.352 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -62.14 -26.16 68.15 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.76 -41.36 98.94 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.761 1.172 . . . . 0.0 113.717 172.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -22.1 39.77 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 118.607 1.203 . . . . 0.0 112.867 170.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.7 t -62.18 -44.41 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-O 117.948 -1.025 . . . . 0.0 111.69 168.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 40.38 -128.88 2.96 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 124.976 1.274 . . . . 0.0 115.683 168.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.76 -24.59 67.83 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 121.168 -1.195 . . . . 0.0 114.048 175.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -67.46 -12.79 61.14 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.145 1.378 . . . . 0.0 113.197 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.545 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -46.68 -49.95 18.54 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.644 1.178 . . . . 0.0 114.131 -177.243 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.09 -39.92 97.64 Favored Glycine 0 CA--C 1.528 0.858 0 CA-C-O 119.531 -0.594 . . . . 0.0 113.605 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -40.7 91.94 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 117.885 0.843 . . . . 0.0 111.522 175.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -66.78 -38.59 86.84 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.269 -0.895 . . . . 0.0 112.124 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.62 -50.55 65.99 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-N 119.011 0.823 . . . . 0.0 112.296 169.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.13 -51.12 69.11 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.998 0.919 . . . . 0.0 112.522 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.04 -43.47 91.66 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 123.193 0.597 . . . . 0.0 112.187 174.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.06 -35.71 77.68 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 118.816 0.735 . . . . 0.0 112.884 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.8 mt -67.28 -53.68 27.65 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.622 0.769 . . . . 0.0 111.72 174.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -55.61 -45.33 77.5 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.951 0.882 . . . . 0.0 112.214 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.469 HH12 ' HB ' ' A' ' 107' ' ' VAL . 10.7 mmm-85 -55.12 -48.29 73.85 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.279 1.432 . . . . 0.0 112.96 170.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.9 tmm? -60.74 -41.8 96.09 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.544 1.065 . . . . 0.0 111.833 176.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -59.14 -43.32 92.03 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 120.226 1.375 . . . . 0.0 113.765 174.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.4 mt -75.61 -46.86 29.24 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.148 0.579 . . . . 0.0 111.437 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 t -86.5 -7.62 58.24 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.006 1.722 . . . . 0.0 114.253 -170.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CG ' HD13 ' A' ' 100' ' ' LEU . 2.0 t80 -144.27 72.15 16.17 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 123.993 0.917 . . . . 0.0 109.879 174.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -44.4 -29.53 3.18 Favored 'Trans proline' 0 C--N 1.359 1.104 1 C-N-CA 125.413 4.075 . . . . 0.0 116.556 -170.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.9 m -45.0 -35.53 2.96 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 125.849 1.659 . . . . 0.0 114.595 170.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 37.5 p -67.26 -26.07 66.38 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 121.225 1.83 . . . . 0.0 113.391 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -62.32 -26.4 68.41 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.627 -1.296 . . . . 0.0 112.446 166.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.542 HG21 ' HB2' ' D' ' 93' ' ' CYS . 0.4 OUTLIER -65.32 -17.33 64.43 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 170.638 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -0.45 6.73 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.767 1.167 . . . . 0.0 114.142 174.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 t80 47.99 59.82 16.21 Favored Pre-proline 0 CA--C 1.554 1.11 0 C-N-CA 125.252 1.421 . . . . 0.0 112.298 -171.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -55.05 133.7 59.6 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.262 1.975 . . . . 0.0 111.29 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -73.81 -11.35 60.35 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 172.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.76 155.51 30.01 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.636 1.974 . . . . 0.0 113.816 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.0 -33.8 17.05 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -176.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.9 mt 45.61 36.29 2.53 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 126.346 1.859 . . . . 0.0 114.246 -173.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.5 t -87.28 29.79 0.83 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.098 1.759 . . . . 0.0 114.229 -169.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.6 t60 61.79 138.04 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 127.65 2.38 . . . . 0.0 114.124 -165.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.93 15.92 58.8 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.698 1.142 . . . . 0.0 115.402 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -53.15 123.16 11.0 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.38 1.872 . . . . 0.0 115.017 -166.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.59 -29.19 64.27 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.087 1.355 . . . . 0.0 114.197 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -76.76 -36.31 57.15 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.529 -0.732 . . . . 0.0 112.788 176.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.9 t -72.65 -39.45 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.215 -0.928 . . . . 0.0 111.485 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -61.92 -39.57 92.5 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 119.664 1.12 . . . . 0.0 112.957 172.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.03 -47.15 39.6 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 124.104 0.859 . . . . 0.0 112.74 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -59.61 -44.38 93.43 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.958 -0.73 . . . . 0.0 111.059 171.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.24 -51.74 40.11 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 124.903 1.24 . . . . 0.0 113.403 173.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -55.71 -40.73 72.83 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 118.976 1.388 . . . . 0.0 112.931 171.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -46.15 69.51 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.536 1.062 . . . . 0.0 113.173 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.0 t -55.96 -46.15 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 124.564 1.145 . . . . 0.0 110.383 171.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.545 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -62.88 -46.77 86.28 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 177.119 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.51 -37.14 86.17 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 119.392 0.996 . . . . 0.0 111.828 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.33 -34.22 77.81 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.178 -0.951 . . . . 0.0 113.531 169.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.33 -44.95 93.46 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 120.176 1.353 . . . . 0.0 112.126 165.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.4 m -54.77 -44.5 73.74 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 120.583 1.538 . . . . 0.0 111.723 170.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -60.42 -40.81 92.39 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.262 1.025 . . . . 0.0 112.176 173.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.6 82.98 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 118.459 0.572 . . . . 0.0 111.237 172.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.0 t -58.74 -44.97 91.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 119.676 1.125 . . . . 0.0 112.029 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.21 -23.12 67.19 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.245 1.418 . . . . 0.0 113.923 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -137.11 34.81 2.56 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 125.266 1.426 . . . . 0.0 111.268 -171.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . 0.255 2.5 p -63.57 -21.79 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 O-C-N 119.359 -2.088 . . . . 0.0 115.459 -159.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -106.0 5.14 30.1 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.848 1.659 . . . . 0.0 113.007 173.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -133.92 -1.86 2.97 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.95 2.5 . . . . 0.0 112.393 -168.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.3 ptt? -73.09 -10.0 0.17 Allowed Pre-proline 0 CA--C 1.546 0.791 0 CA-C-O 114.199 -2.81 . . . . 0.0 118.008 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -38.91 -42.22 1.94 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 123.834 3.023 . . . . 0.0 116.37 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -101.75 -18.4 15.82 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 171.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.0 -23.81 64.14 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 120.529 1.513 . . . . 0.0 114.093 -176.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.7 mt -96.52 7.5 46.37 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.595 0.758 . . . . 0.0 112.121 169.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.4 t -57.97 -39.93 79.4 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.057 1.299 . . . . 0.0 113.115 -174.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.65 -32.9 67.75 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 119.169 0.895 . . . . 0.0 112.6 173.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.64 -34.47 34.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.59 1.156 . . . . 0.0 111.551 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.0 t -59.6 -51.88 67.91 Favored 'General case' 0 N--CA 1.462 0.143 0 O-C-N 122.226 -0.296 . . . . 0.0 110.986 166.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -56.75 -37.87 71.62 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.433 1.093 . . . . 0.0 111.637 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.03 -71.27 0.09 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 118.045 -0.979 . . . . 0.0 111.431 161.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -19.17 64.03 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.999 1.272 . . . . 0.0 113.697 -165.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.73 -67.96 0.83 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 126.289 1.836 . . . . 0.0 110.349 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -64.87 -15.11 61.51 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -130.7 153.15 49.28 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.446 1.898 . . . . 0.0 110.42 169.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.0 mt 57.51 -17.73 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 117.972 2.582 . . . . 0.0 117.972 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.435 ' HD3' ' HA ' ' D' ' 41' ' ' PHE . 0.0 OUTLIER 52.77 22.29 2.25 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.878 2.471 . . . . 0.0 117.05 -171.453 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.2 t -35.19 105.89 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.435 1.894 . . . . 0.0 112.927 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.66 123.74 75.76 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-O 118.42 -0.8 . . . . 0.0 111.151 -177.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -55.52 -19.86 24.7 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.993 2.462 . . . . 0.0 114.583 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.1 t -57.92 -34.69 49.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 O-C-N 119.803 -1.811 . . . . 0.0 111.034 168.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -57.12 -36.8 71.09 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 120.256 1.389 . . . . 0.0 113.91 172.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 133' ' ' SER . 3.3 t80 -56.62 -45.13 81.66 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -59.18 -34.02 71.63 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.615 -0.678 . . . . 0.0 111.57 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.434 ' H ' ' HG ' ' A' ' 100' ' ' LEU . 1.4 mt -69.48 -51.03 39.77 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 124.821 1.249 . . . . 0.0 110.153 -178.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.27 -35.36 78.74 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 117.676 0.217 . . . . 0.0 110.812 176.079 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.7 m -66.62 -46.54 75.49 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.618 1.167 . . . . 0.0 113.146 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -49.4 -49.98 42.47 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.477 0.58 . . . . 0.0 109.781 162.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 72.7 m -58.65 -40.08 82.42 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 117.727 -1.13 . . . . 0.0 113.821 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.3 mt -59.62 -58.42 8.67 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 117.522 -1.227 . . . . 0.0 111.674 168.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -45.15 -46.25 11.86 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.537 1.135 . . . . 0.0 110.933 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.529 HG22 ' HA ' ' B' ' 112' ' ' CYS . 55.4 t -59.15 -52.19 63.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 174.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.7 m -64.23 -36.84 85.39 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 122.015 -0.428 . . . . 0.0 112.138 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.3 mt -60.54 -46.93 88.36 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.336 0.654 . . . . 0.0 109.327 172.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.56 70.51 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.96 -5.07 3.95 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 172.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -134.81 -26.64 1.34 Allowed 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.4 mp -91.84 165.95 19.08 Favored Pre-proline 0 CA--C 1.559 1.293 0 C-N-CA 125.695 1.598 . . . . 0.0 113.294 -177.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.48 -56.97 1.21 Allowed 'Trans proline' 0 C--N 1.361 1.234 0 C-N-CA 124.001 3.134 . . . . 0.0 115.124 -170.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.67 -50.77 2.07 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.391 1.476 . . . . 0.0 111.115 171.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 64.3 -22.36 0.07 Allowed 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 -171.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -98.18 13.77 30.04 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.155 1.782 . . . . 0.0 114.842 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.46 163.86 13.53 Favored Pre-proline 0 N--CA 1.488 1.431 0 CA-C-N 120.445 1.475 . . . . 0.0 110.397 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -56.91 -50.25 12.05 Favored 'Trans proline' 0 C--N 1.348 0.552 0 CA-C-N 121.561 1.593 . . . . 0.0 111.486 169.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.5 86.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.993 0.917 . . . . 0.0 112.185 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.4 t -89.35 -41.47 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 121.297 -0.877 . . . . 0.0 112.564 -177.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -72.46 -50.32 26.97 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 120.202 1.365 . . . . 0.0 112.391 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.99 -45.49 82.95 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 119.456 1.026 . . . . 0.0 110.07 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 31.1 t -56.87 -58.7 7.0 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 174.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 58.8 mt -68.54 -33.32 73.89 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 120.466 1.485 . . . . 0.0 112.493 -174.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -62.08 -49.7 74.88 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 120.22 1.373 . . . . 0.0 112.012 170.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -29.81 57.61 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -178.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -66.02 -55.02 18.77 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 125.313 1.445 . . . . 0.0 109.736 170.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -58.61 -40.81 84.33 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.248 0.931 . . . . 0.0 108.73 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.82 -41.15 67.03 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 119.403 -2.061 . . . . 0.0 114.299 170.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.8 p -72.02 -35.47 69.42 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.946 1.703 . . . . 0.0 113.761 173.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.78 -41.96 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-N 119.814 1.188 . . . . 0.0 109.716 167.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.47 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . 3.6 t -59.39 -58.22 9.57 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.382 1.073 . . . . 0.0 111.771 169.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 55.3 m -49.66 -38.58 33.1 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.722 1.609 . . . . 0.0 112.71 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 77.5 t -83.99 -40.88 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 124.455 1.102 . . . . 0.0 112.155 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -26.28 60.36 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.59 1.541 . . . . 0.0 112.394 164.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 4.9 t -105.93 21.37 17.41 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.648 1.579 . . . . 0.0 112.56 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.9 m . . . . . 0 CA--C 1.542 0.653 0 O-C-N 120.743 -1.223 . . . . 0.0 112.543 163.077 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.306 2.6 p . . . . . 0 N--CA 1.516 2.836 0 CA-C-O 118.021 -0.99 . . . . 0.0 112.728 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 3.3 m80 31.32 63.4 0.22 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 128.109 2.564 . . . . 0.0 115.411 175.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.85 158.45 13.04 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 121.551 -0.718 . . . . 0.0 112.742 -175.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.23 148.74 95.88 Favored Pre-proline 0 N--CA 1.476 0.853 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.17 171.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -49.68 -41.91 44.51 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.5 2.8 . . . . 0.0 116.544 -177.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.54 -41.68 92.8 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.59 1.086 . . . . 0.0 113.152 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.37 -49.4 77.75 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.239 0.615 . . . . 0.0 110.448 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -55.06 -48.65 73.19 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.115 0.966 . . . . 0.0 111.103 175.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.7 t -55.37 -47.93 75.04 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.903 0.774 . . . . 0.0 111.151 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.36 -56.05 27.08 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.578 -0.701 . . . . 0.0 112.862 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.535 HG23 ' CE2' ' B' ' 130' ' ' TYR . 2.6 p -64.56 -42.75 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 120.027 1.285 . . . . 0.0 111.804 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -77.09 -29.82 55.13 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.067 0.849 . . . . 0.0 111.356 -173.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.11 -34.01 65.9 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.417 1.008 . . . . 0.0 112.52 171.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -39.59 93.46 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.189 -0.944 . . . . 0.0 110.516 169.076 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -56.66 -45.74 81.47 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.442 0.697 . . . . 0.0 112.314 167.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.01 -27.06 43.96 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.855 1.217 . . . . 0.0 115.919 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -102.61 -6.81 22.37 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 118.693 1.246 . . . . 0.0 113.524 173.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.87 134.32 27.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 124.108 0.963 . . . . 0.0 111.819 -172.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -83.2 81.71 8.58 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 175.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 96.0 t -51.52 -37.58 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -167.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -70.17 -34.06 72.53 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.206 1.402 . . . . 0.0 114.399 174.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -98.75 -43.11 6.91 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.086 -1.009 . . . . 0.0 111.995 -173.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.35 -32.77 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 119.272 0.942 . . . . 0.0 110.69 163.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.88 -47.85 10.99 Favored Glycine 0 C--N 1.342 0.895 0 CA-C-N 119.566 1.076 . . . . 0.0 111.87 176.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.25 -42.41 55.86 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 117.869 0.835 . . . . 0.0 113.217 169.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.57 -29.69 27.61 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 117.736 -1.126 . . . . 0.0 112.903 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.63 -56.9 13.58 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 121.378 1.899 . . . . 0.0 109.641 168.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.24 -44.17 89.06 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 118.78 -0.628 . . . . 0.0 109.866 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -47.44 -60.23 5.38 Favored Glycine 0 N--CA 1.47 0.927 0 C-N-CA 125.194 1.378 . . . . 0.0 113.954 165.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -47.68 -45.52 28.34 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.486 1.515 . . . . 0.0 112.215 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.408 HD23 ' HG ' ' B' ' 32' ' ' LEU . 0.3 OUTLIER -63.68 -56.17 17.79 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.664 0.786 . . . . 0.0 110.663 174.846 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.408 ' HG ' HD23 ' B' ' 31' ' ' LEU . 92.9 mt -57.49 -36.2 71.21 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.862 0.865 . . . . 0.0 113.097 -174.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.424 HG13 HG11 ' B' ' 54' ' ' VAL . 34.6 m -74.34 -10.91 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -176.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -69.71 0.28 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 CA-C-N 121.018 1.735 . . . . 0.0 111.7 171.274 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 50.48 36.36 0.34 Allowed Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 126.089 1.756 . . . . 0.0 114.216 -165.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -77.6 -177.53 3.92 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.115 1.876 . . . . 0.0 110.779 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -48.69 -25.35 1.75 Allowed 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 175.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 81.3 p -67.77 -23.58 65.24 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 120.454 -1.403 . . . . 0.0 113.368 175.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -56.93 -21.59 31.17 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-O 118.326 -0.845 . . . . 0.0 112.715 169.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -58.09 -25.15 60.96 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 121.657 2.026 . . . . 0.0 113.52 171.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' PHE . . . . . 0.45 ' HA ' ' HD3' ' C' ' 92' ' ' ARG . 0.2 OUTLIER -88.71 5.66 42.25 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 173.468 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -48.82 -30.77 6.12 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 176.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.83 -30.63 71.7 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 57.8 m -80.43 -32.05 37.42 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.22 0.918 . . . . 0.0 111.982 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -68.6 -36.95 79.38 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.393 1.077 . . . . 0.0 111.155 171.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.94 -18.67 4.84 Favored Glycine 0 CA--C 1.539 1.556 0 O-C-N 119.978 -1.701 . . . . 0.0 114.184 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -144.53 125.82 14.75 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.907 1.683 . . . . 0.0 110.018 172.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 tt -165.36 -27.75 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.726 1.21 . . . . 0.0 113.311 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 2.3 m -54.53 -10.18 0.39 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 128.34 2.656 . . . . 0.0 117.099 -171.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.2 p -142.7 165.38 26.96 Favored Pre-proline 0 N--CA 1.476 0.871 0 C-N-CA 127.168 2.187 . . . . 0.0 109.475 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -56.7 -55.31 2.82 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 121.673 1.582 . . . . 0.0 112.168 173.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -61.0 -36.89 80.69 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.057 0.543 . . . . 0.0 111.53 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.22 -56.16 25.42 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.918 0.887 . . . . 0.0 111.855 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.424 HG11 HG13 ' B' ' 33' ' ' VAL . 0.3 OUTLIER -72.79 -41.29 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 120.315 1.416 . . . . 0.0 113.339 -176.624 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 23.8 mmt -66.66 -33.72 76.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.151 0.58 . . . . 0.0 111.801 -175.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.2 3.99 62.23 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.567 1.079 . . . . 0.0 114.971 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.475 ' OD1' HG23 ' B' ' 60' ' ' VAL . 8.2 t-20 -72.2 114.67 31.39 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-N 119.604 1.702 . . . . 0.0 112.118 -176.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -57.55 -32.47 94.4 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.072 1.848 . . . . 0.0 112.869 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -71.57 -36.68 70.99 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.475 HG23 ' OD1' ' B' ' 57' ' ' ASN . 55.5 t -67.17 -40.9 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-N 120.699 1.59 . . . . 0.0 110.746 170.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -63.3 -51.45 65.99 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.201 0.91 . . . . 0.0 111.169 174.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.13 -48.88 77.59 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.922 1.289 . . . . 0.0 113.226 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -62.52 -40.05 95.52 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.693 -1.254 . . . . 0.0 111.544 174.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.09 -46.07 33.56 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.491 1.52 . . . . 0.0 113.154 166.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -60.02 -41.14 91.52 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.172 0.986 . . . . 0.0 112.221 173.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -68.04 -50.27 56.29 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.155 0.888 . . . . 0.0 112.607 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 3.8 m -59.8 -40.66 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 CA-C-N 118.997 0.817 . . . . 0.0 112.006 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 tt -83.29 -30.81 27.28 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.418 -0.802 . . . . 0.0 112.036 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.57 -44.41 93.87 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 120.511 -1.368 . . . . 0.0 111.735 168.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.71 -45.0 94.79 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.974 -0.721 . . . . 0.0 112.853 169.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.443 ' CE2' ' CE1' ' B' ' 130' ' ' TYR . 88.4 t80 -53.09 -38.38 62.5 Favored 'General case' 0 CA--C 1.55 0.969 0 O-C-N 120.715 -1.24 . . . . 0.0 113.023 171.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 6.0 t -69.29 -38.81 78.48 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.458 1.103 . . . . 0.0 113.376 172.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -56.1 -32.49 64.22 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.815 0.734 . . . . 0.0 111.256 168.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.27 -67.38 2.24 Favored Glycine 0 C--N 1.342 0.868 0 C-N-CA 124.735 1.159 . . . . 0.0 112.299 164.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.05 -21.61 32.74 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.49 -25.62 35.87 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.369 1.468 . . . . 0.0 114.203 171.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -146.04 48.61 1.21 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.688 1.595 . . . . 0.0 111.953 -168.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 97.9 mt -62.36 -19.45 63.39 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 120.201 -1.562 . . . . 0.0 113.52 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -59.79 -15.18 18.52 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 166.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -94.14 -90.71 0.2 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.248 1.019 . . . . 0.0 111.267 176.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 mm? 52.85 18.03 0.98 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -174.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -148.81 -25.55 0.31 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 128.169 2.587 . . . . 0.0 112.924 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -116.72 -41.44 0.72 Allowed Glycine 0 N--CA 1.48 1.626 0 C-N-CA 125.163 1.363 . . . . 0.0 114.652 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.4 p -61.05 -34.1 74.35 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 119.059 1.429 . . . . 0.0 113.326 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -97.53 -7.14 32.03 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 124.102 0.961 . . . . 0.0 113.02 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.33 -40.94 83.43 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 120.92 1.691 . . . . 0.0 114.467 -169.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 12.1 p -60.96 -35.5 76.94 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.044 0.938 . . . . 0.0 112.103 171.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 18.7 mt -70.37 -48.59 55.59 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.251 172.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -55.21 -37.19 66.79 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 121.038 1.744 . . . . 0.0 112.772 176.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.44 -55.84 21.0 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.127 1.771 . . . . 0.0 112.773 168.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 54.8 tp -51.65 -52.49 47.47 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.236 -0.915 . . . . 0.0 110.295 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -74.84 25.5 0.09 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 129.123 2.969 . . . . 0.0 113.569 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' CYS . . . . . 0.568 ' HB2' HG21 ' C' ' 41' ' ' THR . 5.0 p -152.78 -67.3 0.16 Allowed 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 118.682 -0.675 . . . . 0.0 112.073 154.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -53.27 -20.07 3.85 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.671 2.388 . . . . 0.0 114.908 -177.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -121.15 -22.54 6.05 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.443 1.497 . . . . 0.0 114.34 169.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 17.2 mt -138.35 85.12 2.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.776 2.03 . . . . 0.0 108.085 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -56.99 -27.93 61.96 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -7.25 115.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 129.244 3.018 . . . . 0.0 115.195 169.235 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.65 140.6 96.49 Favored Pre-proline 0 CA--C 1.545 0.773 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -163.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 100' ' ' PRO . . . . . 0.43 ' HD3' ' CE2' ' B' ' 145' ' ' TYR . 52.5 Cg_endo -70.68 -12.43 31.14 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.435 2.757 . . . . 0.0 114.295 -174.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -45.08 -39.13 5.57 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.59 1.156 . . . . 0.0 111.906 159.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.05 -39.74 94.74 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.328 1.851 . . . . 0.0 111.55 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -68.06 -42.66 80.17 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.661 1.585 . . . . 0.0 111.231 177.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -55.67 -46.7 77.51 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.321 1.049 . . . . 0.0 110.77 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 18.3 mt -63.26 -49.99 71.92 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 117.313 -1.327 . . . . 0.0 112.835 175.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 tt -54.72 -48.58 72.35 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 120.275 1.398 . . . . 0.0 110.402 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 107' ' ' GLY . . . . . 0.479 ' HA3' HG13 ' B' ' 134' ' ' VAL . . . -49.85 -60.18 6.74 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 124.034 0.826 . . . . 0.0 114.298 172.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -53.1 -48.47 67.77 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.824 0.821 . . . . 0.0 111.039 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 2.9 t -58.9 -38.87 75.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 125.282 1.433 . . . . 0.0 113.564 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 51.6 tp -55.94 -51.96 65.82 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.655 -0.688 . . . . 0.0 109.782 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -52.66 -40.18 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 118.551 0.614 . . . . 0.0 111.293 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 112' ' ' CYS . . . . . 0.529 ' HA ' HG22 ' A' ' 107' ' ' VAL . 11.5 m -61.7 -49.79 75.04 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 178.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 5.1 p -63.96 -36.24 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 119.512 1.051 . . . . 0.0 111.87 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.439 HD13 ' CZ ' ' B' ' 130' ' ' TYR . 5.1 mt -58.39 -43.64 88.63 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 119.329 0.968 . . . . 0.0 111.755 174.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -68.98 -27.08 65.39 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -63.18 -56.99 12.09 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 120.172 1.351 . . . . 0.0 110.537 164.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -68.55 -25.81 65.1 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.986 0.915 . . . . 0.0 112.41 -167.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -132.35 41.87 3.17 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.111 1.764 . . . . 0.0 111.104 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -56.76 -17.87 22.71 Favored Glycine 0 N--CA 1.477 1.391 0 C-N-CA 125.757 1.646 . . . . 0.0 117.093 -176.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -84.97 -1.9 57.29 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 118.371 1.086 . . . . 0.0 113.025 173.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -136.03 4.65 3.0 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.923 2.089 . . . . 0.0 112.305 -168.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -78.73 30.56 0.2 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 126.407 1.883 . . . . 0.0 115.786 -166.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 7.5 p -40.0 148.26 0.32 Allowed Pre-proline 0 N--CA 1.487 1.387 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 -163.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -44.15 -45.96 11.65 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.683 2.255 . . . . 0.0 115.645 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.12 -29.26 6.67 Favored 'Trans proline' 0 C--N 1.354 0.853 0 CA-C-O 116.06 -1.725 . . . . 0.0 114.435 173.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.65 -37.77 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 CA-C-N 123.66 2.936 . . . . 0.0 112.525 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -69.19 -44.67 71.68 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.372 0.669 . . . . 0.0 111.732 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.46 93.79 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 170.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.73 -49.08 78.92 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.353 1.061 . . . . 0.0 110.034 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.535 ' CE2' HG23 ' B' ' 11' ' ' VAL . 0.3 OUTLIER -49.76 -54.69 17.51 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.916 0.886 . . . . 0.0 111.833 166.518 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -37.51 71.94 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 118.247 -0.883 . . . . 0.0 112.824 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -62.88 -45.43 92.57 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 121.005 1.729 . . . . 0.0 112.516 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.67 -44.85 99.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 CA-C-N 118.786 0.721 . . . . 0.0 110.622 173.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.479 HG13 ' HA3' ' B' ' 107' ' ' GLY . 5.1 t -63.54 -47.65 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 125.628 1.571 . . . . 0.0 112.74 -177.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.55 91.24 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.605 1.162 . . . . 0.0 110.3 176.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.8 -53.77 28.21 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.977 162.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -45.59 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 119.268 1.534 . . . . 0.0 112.747 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.38 -45.18 85.09 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.657 -0.652 . . . . 0.0 111.198 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -61.64 -36.35 80.52 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.958 0.903 . . . . 0.0 112.293 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.12 -49.75 63.84 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.983 0.913 . . . . 0.0 111.406 176.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.58 -37.12 82.7 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.524 1.056 . . . . 0.0 111.601 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.64 -6.69 45.99 Favored 'General case' 0 CA--C 1.553 1.077 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 173.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -56.11 -42.35 76.67 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 119.832 -1.792 . . . . 0.0 112.7 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -63.46 -2.4 1.55 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.978 2.111 . . . . 0.0 114.718 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 145' ' ' TYR . . . . . 0.43 ' CE2' ' HD3' ' B' ' 100' ' ' PRO . 1.3 m-85 . . . . . 0 CA--C 1.552 1.045 0 C-N-CA 127.457 2.303 . . . . 0.0 111.686 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.507 2.398 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 39.3 mt -142.08 -167.29 2.43 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.598 1.559 . . . . 0.0 112.803 -170.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.36 164.05 30.4 Favored Pre-proline 0 N--CA 1.476 0.834 0 C-N-CA 127.874 2.469 . . . . 0.0 111.007 -178.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.1 -44.27 0.13 Allowed 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.397 2.065 . . . . 0.0 113.152 -176.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.15 -31.99 71.95 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.586 -0.696 . . . . 0.0 112.371 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.54 -45.54 84.95 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.745 0.702 . . . . 0.0 110.93 176.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -53.73 -49.56 67.87 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.96 0.904 . . . . 0.0 110.699 175.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 53.4 m -55.98 -45.72 78.89 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.398 0.679 . . . . 0.0 112.059 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -67.46 -35.59 79.48 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.616 -0.677 . . . . 0.0 112.488 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 91.9 t -65.24 -51.16 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 118.645 0.657 . . . . 0.0 111.146 172.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.42 -41.14 84.36 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.159 0.984 . . . . 0.0 111.0 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.56 -53.94 51.46 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.49 0.716 . . . . 0.0 111.959 173.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.58 -54.64 43.55 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.466 0.575 . . . . 0.0 111.298 176.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -62.25 -26.2 68.25 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.53 -41.46 99.2 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.784 1.183 . . . . 0.0 113.785 172.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -22.11 39.87 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 118.631 1.216 . . . . 0.0 112.796 170.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.28 -44.25 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 117.962 -1.018 . . . . 0.0 111.717 168.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 40.29 -128.78 2.89 Favored Glycine 0 CA--C 1.541 1.697 0 C-N-CA 125.179 1.371 . . . . 0.0 115.551 168.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.85 -24.61 67.82 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.236 -1.155 . . . . 0.0 114.018 175.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -67.45 -12.63 60.75 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.129 1.371 . . . . 0.0 113.265 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.563 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -46.66 -50.05 18.31 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.702 1.201 . . . . 0.0 114.106 -177.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.16 -39.85 97.5 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-O 119.404 -0.664 . . . . 0.0 113.471 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.92 -40.76 91.75 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.032 0.916 . . . . 0.0 111.42 175.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -66.7 -38.67 87.21 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.212 -0.93 . . . . 0.0 112.1 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.62 -50.48 66.67 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-N 119.02 0.827 . . . . 0.0 112.279 169.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.01 -51.39 67.94 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.109 0.964 . . . . 0.0 112.511 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.84 -43.61 90.77 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.339 0.656 . . . . 0.0 112.128 174.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.7 77.71 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 118.822 0.737 . . . . 0.0 112.831 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 mt -67.25 -53.61 28.42 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.619 0.768 . . . . 0.0 111.742 174.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -55.63 -45.39 77.59 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.919 0.866 . . . . 0.0 112.2 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ARG . . . . . 0.483 HH12 ' HB ' ' C' ' 107' ' ' VAL . 10.7 mmm-85 -55.01 -48.35 73.48 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.261 1.425 . . . . 0.0 112.927 170.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 3.8 tmm? -60.85 -41.49 95.94 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.67 1.123 . . . . 0.0 111.85 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -59.38 -43.24 92.93 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.245 1.384 . . . . 0.0 113.71 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 30.5 mt -75.71 -46.89 28.59 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.113 0.565 . . . . 0.0 111.299 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 2.9 t -86.35 -7.77 58.21 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.02 1.728 . . . . 0.0 114.202 -170.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' PHE . . . . . 0.406 ' CG ' HD13 ' C' ' 100' ' ' LEU . 2.0 t80 -144.24 72.19 16.22 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 123.978 0.911 . . . . 0.0 109.876 174.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -44.25 -29.82 3.19 Favored 'Trans proline' 0 C--N 1.357 0.999 1 C-N-CA 125.488 4.125 . . . . 0.0 116.473 -170.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 2.8 m -44.88 -35.56 2.87 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 125.878 1.671 . . . . 0.0 114.588 170.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 38.5 p -67.16 -26.07 66.47 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 121.259 1.845 . . . . 0.0 113.417 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -62.38 -26.42 68.46 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.524 -1.36 . . . . 0.0 112.43 167.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' THR . . . . . 0.568 HG21 ' HB2' ' B' ' 93' ' ' CYS . 0.4 OUTLIER -65.26 -17.3 64.39 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 170.589 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -0.62 6.89 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 174.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 t80 48.12 59.82 16.26 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 125.219 1.408 . . . . 0.0 112.266 -171.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -55.02 133.64 59.26 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.145 1.896 . . . . 0.0 111.425 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -73.8 -11.24 60.32 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 172.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.9 155.54 30.41 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.682 1.993 . . . . 0.0 113.812 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.04 -33.67 17.06 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -176.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 35.3 mt 45.52 36.3 2.44 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 126.422 1.889 . . . . 0.0 114.159 -173.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 2.5 t -87.09 29.76 0.81 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.104 1.762 . . . . 0.0 114.261 -169.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 22.8 t60 61.99 137.92 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 127.583 2.353 . . . . 0.0 114.034 -166.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.98 15.95 58.96 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 124.628 1.109 . . . . 0.0 115.356 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 49.3 m -53.12 123.19 11.05 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.323 1.849 . . . . 0.0 115.013 -166.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.59 -29.22 64.3 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.106 1.363 . . . . 0.0 114.168 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -76.72 -36.39 57.2 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.59 -0.693 . . . . 0.0 112.772 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 39.8 t -72.72 -39.4 60.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 O-C-N 121.073 -1.017 . . . . 0.0 111.542 -178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -61.95 -39.57 92.56 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 119.7 1.136 . . . . 0.0 112.909 172.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.92 -47.18 40.33 Favored Glycine 0 N--CA 1.472 1.05 0 C-N-CA 124.107 0.86 . . . . 0.0 112.851 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -59.66 -44.27 93.62 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.97 -0.723 . . . . 0.0 111.041 171.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.28 -51.81 39.96 Favored Glycine 0 C--N 1.34 0.801 0 C-N-CA 124.992 1.282 . . . . 0.0 113.331 173.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -55.72 -40.73 72.86 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.069 1.434 . . . . 0.0 113.049 171.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -46.1 69.85 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.505 1.048 . . . . 0.0 113.197 178.125 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 88.4 t -56.04 -46.13 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.669 1.188 . . . . 0.0 110.346 171.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 63' ' ' ALA . . . . . 0.563 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -62.81 -46.86 86.01 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 177.012 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -63.62 -36.93 85.43 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.31 0.959 . . . . 0.0 111.866 175.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.44 -34.23 77.8 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 169.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.31 -45.02 93.28 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 120.103 1.32 . . . . 0.0 112.112 165.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 61.3 m -54.65 -44.65 73.42 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 120.659 1.572 . . . . 0.0 111.685 170.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -60.15 -40.99 91.8 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.295 1.038 . . . . 0.0 112.298 173.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.49 83.46 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 118.95 -0.547 . . . . 0.0 111.248 172.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 86.0 t -58.86 -44.93 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.743 1.156 . . . . 0.0 112.015 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.07 -23.2 67.24 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.166 1.387 . . . . 0.0 113.991 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -137.06 34.73 2.58 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 125.198 1.399 . . . . 0.0 111.285 -171.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 2.6 p -63.58 -21.57 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 O-C-N 119.489 -2.007 . . . . 0.0 115.458 -159.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -106.09 5.21 29.96 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 125.763 1.625 . . . . 0.0 112.987 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -133.84 -2.08 2.98 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 128.004 2.521 . . . . 0.0 112.413 -168.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 15.2 ptt? -73.02 -9.95 0.16 Allowed Pre-proline 0 CA--C 1.545 0.77 0 CA-C-O 114.176 -2.821 . . . . 0.0 118.029 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -38.88 -42.28 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 C-N-CA 123.898 3.066 . . . . 0.0 116.34 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -101.81 -18.3 15.82 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 171.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.93 -23.99 64.23 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 120.603 1.547 . . . . 0.0 114.134 -176.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 39.5 mt -96.4 7.47 46.4 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.561 0.744 . . . . 0.0 112.154 169.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 35.2 t -57.85 -40.09 79.28 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 120.061 1.301 . . . . 0.0 113.095 -174.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.45 -33.06 67.55 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.192 -0.942 . . . . 0.0 112.621 173.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.51 -34.54 35.57 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.496 1.118 . . . . 0.0 111.531 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 40.1 t -59.57 -51.66 68.89 Favored 'General case' 0 C--N 1.34 0.167 0 O-C-N 122.051 -0.406 . . . . 0.0 111.104 166.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.08 -37.68 72.22 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.472 1.109 . . . . 0.0 111.6 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.01 -71.41 0.09 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 118.017 -0.992 . . . . 0.0 111.314 161.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -19.19 63.92 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 120.017 1.281 . . . . 0.0 113.676 -165.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.84 -67.83 0.84 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.3 1.84 . . . . 0.0 110.312 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -64.84 -15.13 61.44 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -175.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -130.72 153.1 49.35 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.615 1.966 . . . . 0.0 110.442 169.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 21.8 mt 57.37 -17.54 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 118.057 2.614 . . . . 0.0 118.057 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 92' ' ' ARG . . . . . 0.45 ' HD3' ' HA ' ' B' ' 41' ' ' PHE . 0.0 OUTLIER 52.64 22.34 2.19 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 127.864 2.466 . . . . 0.0 117.058 -171.543 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 5.2 t -35.21 106.04 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.52 1.928 . . . . 0.0 112.748 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.88 123.84 76.91 Favored Pre-proline 0 CA--C 1.544 0.744 0 CA-C-O 118.455 -0.783 . . . . 0.0 111.06 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -55.54 -19.84 24.76 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.861 2.374 . . . . 0.0 114.551 175.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 74.6 t -57.91 -34.64 49.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 119.721 -1.862 . . . . 0.0 111.018 169.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -57.13 -36.72 71.04 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 120.298 1.408 . . . . 0.0 113.943 172.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 98' ' ' PHE . . . . . 0.462 ' CD1' ' HB2' ' C' ' 133' ' ' SER . 3.3 t80 -56.72 -45.03 82.13 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -59.31 -33.86 71.62 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.488 -0.758 . . . . 0.0 111.554 -176.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 100' ' ' LEU . . . . . 0.426 ' H ' ' HG ' ' C' ' 100' ' ' LEU . 1.4 mt -69.61 -51.14 37.77 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 124.898 1.279 . . . . 0.0 110.069 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.29 -35.39 78.87 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 117.805 0.275 . . . . 0.0 110.756 176.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 66.4 m -66.53 -46.5 75.95 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.432 1.093 . . . . 0.0 113.254 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -49.25 -49.92 41.12 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.637 0.653 . . . . 0.0 109.857 162.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 73.9 m -58.8 -40.11 83.11 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 117.698 -1.144 . . . . 0.0 113.819 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 60.6 mt -59.48 -58.54 8.14 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 117.397 -1.287 . . . . 0.0 111.683 168.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 mt -45.07 -46.3 11.48 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.395 1.078 . . . . 0.0 110.957 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 107' ' ' VAL . . . . . 0.529 HG22 ' HA ' ' D' ' 112' ' ' CYS . 55.1 t -58.95 -52.44 60.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 174.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 87.1 m -63.97 -37.04 85.97 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.966 -0.459 . . . . 0.0 112.213 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 mt -60.42 -46.86 88.49 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.411 0.684 . . . . 0.0 109.36 172.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.52 70.68 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 177.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.75 -5.3 3.98 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 172.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -134.72 -26.67 1.36 Allowed 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 -176.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.4 mp -91.97 165.87 19.12 Favored Pre-proline 0 CA--C 1.556 1.205 0 C-N-CA 125.66 1.584 . . . . 0.0 113.339 -177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -58.4 -56.66 1.41 Allowed 'Trans proline' 0 C--N 1.363 1.307 0 C-N-CA 123.937 3.091 . . . . 0.0 115.24 -170.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.94 -50.95 2.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.338 1.455 . . . . 0.0 111.007 171.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 64.38 -22.31 0.07 Allowed 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -171.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -98.26 13.71 30.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.188 1.795 . . . . 0.0 114.89 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.5 163.87 13.61 Favored Pre-proline 0 N--CA 1.487 1.41 0 CA-C-N 120.349 1.431 . . . . 0.0 110.279 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -56.89 -50.17 12.32 Favored 'Trans proline' 0 C--N 1.351 0.695 0 CA-C-N 121.589 1.603 . . . . 0.0 111.592 169.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.6 87.09 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.018 0.927 . . . . 0.0 112.06 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 39.1 t -89.27 -41.42 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.273 -0.892 . . . . 0.0 112.581 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -72.38 -50.53 25.93 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.23 1.377 . . . . 0.0 112.282 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.34 83.41 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.319 0.963 . . . . 0.0 110.001 175.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 30.9 t -56.94 -58.68 7.12 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-O 118.4 -0.81 . . . . 0.0 113.181 174.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 59.0 mt -68.53 -33.3 73.88 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 120.483 1.492 . . . . 0.0 112.497 -174.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.17 -49.65 74.98 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 120.164 1.347 . . . . 0.0 112.051 170.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.14 -29.97 58.0 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -178.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -65.93 -54.94 19.95 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 125.19 1.396 . . . . 0.0 109.892 170.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -58.74 -40.75 84.73 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.214 0.915 . . . . 0.0 108.734 175.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.64 -41.34 66.66 Favored 'General case' 0 CA--C 1.55 0.978 0 O-C-N 119.391 -2.068 . . . . 0.0 114.23 170.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 28.4 p -71.87 -35.78 69.9 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 120.929 1.695 . . . . 0.0 113.672 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 56.3 t -56.7 -41.93 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 119.823 1.192 . . . . 0.0 109.627 167.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 133' ' ' SER . . . . . 0.462 ' HB2' ' CD1' ' C' ' 98' ' ' PHE . 3.6 t -59.33 -58.42 8.71 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.587 1.155 . . . . 0.0 111.671 169.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 55.3 m -49.65 -38.56 32.81 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.732 1.613 . . . . 0.0 112.612 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 76.4 t -83.93 -40.88 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 124.491 1.116 . . . . 0.0 112.303 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -26.35 60.48 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.533 1.515 . . . . 0.0 112.244 164.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 4.9 t -105.9 21.39 17.38 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.717 1.607 . . . . 0.0 112.591 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 27.1 m . . . . . 0 CA--C 1.542 0.64 0 O-C-N 120.75 -1.219 . . . . 0.0 112.483 163.098 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.303 2.6 p . . . . . 0 N--CA 1.519 2.985 0 CA-C-O 117.985 -1.007 . . . . 0.0 112.711 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 3.3 m80 31.35 63.31 0.22 Allowed 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 128.082 2.553 . . . . 0.0 115.375 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 158.38 13.04 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 121.567 -0.708 . . . . 0.0 112.78 -175.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.36 148.62 95.62 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.121 171.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -49.54 -41.87 43.5 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 123.399 2.733 . . . . 0.0 116.625 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.6 -41.73 92.44 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.714 1.143 . . . . 0.0 113.152 174.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.21 -49.59 77.03 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.408 0.683 . . . . 0.0 110.385 172.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -54.78 -48.9 72.12 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.063 0.945 . . . . 0.0 111.176 175.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -55.13 -48.05 74.19 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.935 0.789 . . . . 0.0 111.202 175.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.29 -56.04 27.25 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.451 -0.78 . . . . 0.0 112.93 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 11' ' ' VAL . . . . . 0.543 HG23 ' CE2' ' D' ' 130' ' ' TYR . 2.6 p -64.61 -42.66 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 119.973 1.26 . . . . 0.0 111.812 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -77.29 -29.75 53.93 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.016 0.825 . . . . 0.0 111.251 -173.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.17 -33.91 65.71 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.548 1.067 . . . . 0.0 112.439 171.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -39.19 92.23 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.167 -0.958 . . . . 0.0 110.664 169.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -56.81 -45.65 82.12 Favored 'General case' 0 C--O 1.21 -0.978 0 C-N-CA 123.489 0.715 . . . . 0.0 112.52 166.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.83 -27.37 43.66 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 124.829 1.204 . . . . 0.0 115.949 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -102.45 -6.97 22.34 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.671 1.236 . . . . 0.0 113.553 173.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.75 134.17 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 124.174 0.989 . . . . 0.0 111.852 -172.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -83.11 81.71 8.57 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 96.3 t -51.5 -37.56 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 119.766 1.166 . . . . 0.0 114.087 -167.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -70.27 -34.11 72.41 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.07 1.348 . . . . 0.0 114.347 174.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -98.61 -43.01 7.0 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.135 -0.978 . . . . 0.0 112.223 -173.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.44 -32.83 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 121.241 -0.912 . . . . 0.0 110.755 163.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.71 -48.11 10.88 Favored Glycine 0 C--N 1.344 1.006 0 CA-C-N 119.585 1.084 . . . . 0.0 111.857 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.01 -42.57 54.54 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 117.899 0.849 . . . . 0.0 113.127 169.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.54 -29.44 27.87 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-O 117.783 -1.103 . . . . 0.0 112.839 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.93 -56.8 14.01 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 121.401 1.909 . . . . 0.0 109.355 168.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.42 -44.09 88.49 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 118.813 -0.613 . . . . 0.0 109.808 -176.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -47.53 -60.17 5.47 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 125.055 1.312 . . . . 0.0 113.965 165.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -47.7 -45.45 28.5 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.496 1.518 . . . . 0.0 112.146 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 31' ' ' LEU . . . . . 0.421 HD23 ' HG ' ' D' ' 32' ' ' LEU . 0.3 OUTLIER -63.87 -56.14 17.57 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.724 0.809 . . . . 0.0 110.579 174.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 32' ' ' LEU . . . . . 0.421 ' HG ' HD23 ' D' ' 31' ' ' LEU . 93.4 mt -57.52 -36.04 71.06 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -175.031 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 33' ' ' VAL . . . . . 0.429 HG13 HG11 ' D' ' 54' ' ' VAL . 34.6 m -74.3 -10.89 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 116.172 1.916 . . . . 0.0 116.172 -177.033 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.66 0.22 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 120.953 1.706 . . . . 0.0 111.72 171.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 50.56 36.29 0.34 Allowed Pre-proline 0 CA--C 1.556 1.175 0 C-N-CA 125.976 1.71 . . . . 0.0 114.291 -165.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -77.51 -177.63 3.99 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.184 1.923 . . . . 0.0 110.862 -176.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -48.7 -25.32 1.74 Allowed 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 175.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 81.0 p -67.66 -23.51 65.33 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 120.443 -1.41 . . . . 0.0 113.324 175.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -56.76 -21.57 29.34 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 118.279 -0.867 . . . . 0.0 112.911 169.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -58.17 -25.34 61.41 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.631 2.014 . . . . 0.0 113.649 171.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 41' ' ' PHE . . . . . 0.435 ' HA ' ' HD3' ' A' ' 92' ' ' ARG . 0.2 OUTLIER -88.57 5.59 42.07 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 173.409 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -48.77 -30.91 6.19 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 176.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.69 -30.65 71.73 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 58.0 m -80.56 -31.99 36.73 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 119.218 0.917 . . . . 0.0 111.793 174.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -68.75 -36.82 78.84 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.344 1.058 . . . . 0.0 111.081 171.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.9 -18.57 4.88 Favored Glycine 0 CA--C 1.539 1.543 0 O-C-N 120.067 -1.646 . . . . 0.0 114.165 176.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -144.51 126.48 15.43 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.906 1.682 . . . . 0.0 110.048 171.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 tt -165.92 -27.79 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.907 1.283 . . . . 0.0 113.222 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 2.3 m -54.56 -10.02 0.38 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 128.278 2.631 . . . . 0.0 117.159 -171.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 2.2 p -142.87 165.26 27.38 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 127.242 2.217 . . . . 0.0 109.469 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.6 -55.4 2.78 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 121.74 1.627 . . . . 0.0 112.13 173.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -60.93 -36.9 80.53 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.169 0.588 . . . . 0.0 111.593 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.13 -56.28 23.8 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.885 0.874 . . . . 0.0 111.821 174.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 54' ' ' VAL . . . . . 0.429 HG11 HG13 ' D' ' 33' ' ' VAL . 0.3 OUTLIER -72.83 -41.24 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 120.159 1.345 . . . . 0.0 113.333 -176.573 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 23.8 mmt -66.6 -33.81 76.5 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.149 0.58 . . . . 0.0 111.776 -175.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.08 3.9 62.4 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.665 1.126 . . . . 0.0 115.009 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 57' ' ' ASN . . . . . 0.481 ' OD1' HG23 ' D' ' 60' ' ' VAL . 8.2 t-20 -72.47 114.92 34.2 Favored Pre-proline 0 CA--C 1.542 0.637 0 CA-C-N 119.589 1.694 . . . . 0.0 112.037 -175.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -57.36 -33.18 95.76 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.165 1.91 . . . . 0.0 112.797 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -71.08 -36.53 72.27 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 60' ' ' VAL . . . . . 0.481 HG23 ' OD1' ' D' ' 57' ' ' ASN . 55.8 t -67.45 -40.69 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 CA-C-N 120.648 1.567 . . . . 0.0 110.68 170.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -63.38 -51.49 65.63 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.269 0.941 . . . . 0.0 111.107 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.1 -48.8 77.72 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.898 1.279 . . . . 0.0 113.361 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -62.78 -39.69 94.97 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.756 -1.215 . . . . 0.0 111.626 174.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.37 -46.01 36.05 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.408 1.48 . . . . 0.0 113.128 166.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -59.81 -41.23 90.8 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.255 1.028 . . . . 0.0 112.385 173.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -67.92 -50.34 56.64 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.033 0.833 . . . . 0.0 112.599 178.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 3.8 m -59.84 -40.64 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 CA-C-N 119.013 0.824 . . . . 0.0 112.081 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 tt -83.39 -30.81 27.07 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.402 -0.811 . . . . 0.0 111.901 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.55 -44.38 93.84 Favored Glycine 0 CA--C 1.533 1.191 0 O-C-N 120.45 -1.406 . . . . 0.0 111.773 168.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.8 95.17 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 169.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 71' ' ' PHE . . . . . 0.439 ' CE2' ' CE1' ' D' ' 130' ' ' TYR . 88.5 t80 -53.32 -38.37 63.14 Favored 'General case' 0 CA--C 1.549 0.917 0 O-C-N 120.771 -1.205 . . . . 0.0 112.877 171.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 6.0 t -69.33 -38.69 78.31 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.404 1.082 . . . . 0.0 113.387 172.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -56.18 -32.45 64.35 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.836 0.743 . . . . 0.0 111.212 168.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.21 -67.44 2.21 Favored Glycine 0 C--N 1.34 0.756 0 C-N-CA 124.789 1.185 . . . . 0.0 112.325 164.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.09 -21.65 33.6 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.41 -25.6 36.06 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.381 1.472 . . . . 0.0 114.295 171.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -145.99 48.74 1.21 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.68 1.592 . . . . 0.0 111.956 -168.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 98.2 mt -62.57 -19.43 63.68 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 120.125 -1.61 . . . . 0.0 113.366 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -59.82 -15.13 18.4 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.458 1.503 . . . . 0.0 115.043 166.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -94.26 -90.69 0.21 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.091 0.956 . . . . 0.0 111.203 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 mm? 52.74 18.16 0.97 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -174.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -148.81 -25.69 0.31 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 128.131 2.572 . . . . 0.0 112.801 -176.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -116.61 -41.46 0.73 Allowed Glycine 0 N--CA 1.48 1.601 0 C-N-CA 125.231 1.396 . . . . 0.0 114.67 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.3 p -61.1 -34.18 74.53 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 119.08 1.44 . . . . 0.0 113.296 175.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -97.47 -7.12 32.26 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 124.164 0.986 . . . . 0.0 112.972 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.48 -40.81 83.78 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 121.046 1.748 . . . . 0.0 114.433 -169.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 11.9 p -61.08 -35.41 76.91 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.121 0.968 . . . . 0.0 112.022 171.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 18.8 mt -70.55 -48.44 55.38 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-O 117.851 -1.071 . . . . 0.0 110.294 172.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -55.12 -37.36 66.79 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 121.104 1.775 . . . . 0.0 112.726 176.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.49 -55.57 23.04 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.12 1.768 . . . . 0.0 112.883 168.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 54.6 tp -51.84 -52.54 48.67 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.234 -0.916 . . . . 0.0 110.177 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -74.74 25.5 0.09 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 129.062 2.945 . . . . 0.0 113.567 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 93' ' ' CYS . . . . . 0.542 ' HB2' HG21 ' A' ' 41' ' ' THR . 4.8 p -152.86 -67.3 0.16 Allowed 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 118.685 -0.674 . . . . 0.0 112.028 154.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -53.35 -20.16 4.14 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 127.715 2.406 . . . . 0.0 114.805 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -121.04 -22.73 6.04 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.404 1.481 . . . . 0.0 114.279 169.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 16.8 mt -138.22 85.07 2.07 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.841 2.057 . . . . 0.0 108.243 -177.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -56.89 -27.99 61.34 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -7.26 115.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 129.299 3.04 . . . . 0.0 115.158 169.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.62 140.58 96.52 Favored Pre-proline 0 CA--C 1.546 0.793 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -163.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 100' ' ' PRO . . . . . 0.434 ' HD3' ' CE2' ' D' ' 145' ' ' TYR . 52.6 Cg_endo -70.71 -12.27 30.84 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.372 2.714 . . . . 0.0 114.305 -174.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -45.12 -39.24 5.79 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.668 1.187 . . . . 0.0 111.781 159.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -63.99 -39.59 94.46 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.245 1.818 . . . . 0.0 111.588 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -68.21 -42.67 79.49 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.865 1.666 . . . . 0.0 111.142 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -55.7 -46.7 77.61 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.308 1.043 . . . . 0.0 110.796 174.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 18.3 mt -63.18 -49.92 72.37 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 117.327 -1.32 . . . . 0.0 112.928 175.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 tt -54.86 -48.16 73.28 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 120.293 1.406 . . . . 0.0 110.398 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 107' ' ' GLY . . . . . 0.489 ' HA3' HG13 ' D' ' 134' ' ' VAL . . . -50.61 -59.82 7.5 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 123.93 0.776 . . . . 0.0 114.06 172.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -53.07 -48.46 67.7 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 122.006 0.908 . . . . 0.0 110.963 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.12 -38.48 74.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 125.343 1.457 . . . . 0.0 113.572 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 50.7 tp -56.39 -51.86 66.75 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.377 0.671 . . . . 0.0 109.642 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -52.62 -40.24 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 118.551 0.614 . . . . 0.0 111.267 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 112' ' ' CYS . . . . . 0.529 ' HA ' HG22 ' C' ' 107' ' ' VAL . 11.7 m -61.67 -50.02 74.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 178.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 5.3 p -63.6 -36.23 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 119.508 1.049 . . . . 0.0 112.067 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 114' ' ' LEU . . . . . 0.432 HD13 ' CZ ' ' D' ' 130' ' ' TYR . 5.1 mt -58.53 -43.51 89.24 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.056 0.844 . . . . 0.0 111.821 174.106 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.09 -26.97 65.2 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 173.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -63.2 -57.05 11.8 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 120.203 1.365 . . . . 0.0 110.5 164.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -68.52 -25.85 65.15 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.005 0.922 . . . . 0.0 112.432 -167.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -132.23 41.72 3.2 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.199 1.8 . . . . 0.0 111.208 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -56.69 -18.0 22.68 Favored Glycine 0 N--CA 1.477 1.43 0 C-N-CA 125.775 1.655 . . . . 0.0 117.017 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -84.79 -1.97 57.07 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 118.372 1.086 . . . . 0.0 113.084 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -136.13 4.68 2.98 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.857 2.063 . . . . 0.0 112.216 -168.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -78.62 30.55 0.19 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 126.47 1.908 . . . . 0.0 115.794 -166.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 7.4 p -40.15 148.37 0.33 Allowed Pre-proline 0 N--CA 1.486 1.353 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -163.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -44.08 -46.09 11.41 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.698 2.265 . . . . 0.0 115.664 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.94 -29.36 6.88 Favored 'Trans proline' 0 C--N 1.353 0.812 0 CA-C-O 116.162 -1.683 . . . . 0.0 114.463 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.69 -37.85 80.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 CA-C-N 123.663 2.938 . . . . 0.0 112.567 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -69.07 -44.91 71.62 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.363 0.665 . . . . 0.0 111.773 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.64 92.9 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 169.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.38 77.46 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.146 0.978 . . . . 0.0 109.988 176.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 130' ' ' TYR . . . . . 0.543 ' CE2' HG23 ' D' ' 11' ' ' VAL . 0.3 OUTLIER -49.5 -54.71 16.37 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.925 0.89 . . . . 0.0 111.735 166.738 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -37.48 71.89 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 118.318 -0.848 . . . . 0.0 112.737 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -63.2 -45.26 92.56 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.951 1.705 . . . . 0.0 112.35 175.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.79 -44.72 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 CA-C-N 118.853 0.752 . . . . 0.0 110.639 173.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 134' ' ' VAL . . . . . 0.489 HG13 ' HA3' ' D' ' 107' ' ' GLY . 5.1 t -63.61 -47.58 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.577 1.551 . . . . 0.0 112.658 -177.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.43 91.2 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.557 1.143 . . . . 0.0 110.405 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.79 -53.91 27.53 Favored Glycine 0 C--N 1.343 0.958 0 CA-C-O 119.12 -0.822 . . . . 0.0 113.067 162.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -56.9 -45.75 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 119.267 1.533 . . . . 0.0 112.78 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.28 -45.1 85.79 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.618 -0.676 . . . . 0.0 111.272 177.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -61.86 -36.07 80.16 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.981 0.913 . . . . 0.0 112.237 174.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.34 -49.69 63.04 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 124.064 0.946 . . . . 0.0 111.335 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.61 -36.98 82.28 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.645 1.112 . . . . 0.0 111.662 174.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.72 -6.65 46.0 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 114.989 1.478 . . . . 0.0 114.989 173.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -56.08 -42.41 76.67 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 119.909 -1.745 . . . . 0.0 112.659 -177.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -63.46 -2.29 1.51 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.931 2.092 . . . . 0.0 114.724 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 145' ' ' TYR . . . . . 0.434 ' CE2' ' HD3' ' D' ' 100' ' ' PRO . 1.3 m-85 -100.0 6.68 45.08 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 127.508 2.323 . . . . 0.0 111.51 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.365 0 C-N-CA 127.653 2.381 . . . . 0.0 114.437 163.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 24.3 m . . . . . 0 N--CA 1.507 2.377 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.461 HD13 HG22 ' A' ' 73' ' ' VAL . 5.1 mp -140.56 -171.11 3.15 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 119.974 -1.704 . . . . 0.0 110.749 172.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 p -112.76 141.3 25.17 Favored Pre-proline 0 N--CA 1.476 0.853 0 C-N-CA 126.188 1.795 . . . . 0.0 112.033 -176.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.25 -48.74 20.2 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 124.049 3.166 . . . . 0.0 116.126 -169.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.2 -40.0 92.34 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 122.155 -0.34 . . . . 0.0 111.5 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.98 -39.87 95.09 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.79 0.436 . . . . 0.0 111.062 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -55.91 -49.9 72.18 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.628 0.649 . . . . 0.0 110.991 171.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.7 m -59.37 -44.66 92.69 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.63 0.772 . . . . 0.0 111.79 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -62.18 -41.79 98.66 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.56 -0.713 . . . . 0.0 111.975 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.2 t -61.15 -49.16 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.841 1.256 . . . . 0.0 111.463 173.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -58.44 -46.45 86.52 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 118.912 0.778 . . . . 0.0 111.637 175.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.91 -52.6 64.83 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.467 0.707 . . . . 0.0 111.514 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.88 -51.88 67.33 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.307 0.643 . . . . 0.0 111.954 177.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -64.01 -28.03 69.52 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.501 -0.749 . . . . 0.0 112.994 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.05 -42.45 99.59 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.497 1.046 . . . . 0.0 113.256 170.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -70.25 -35.08 73.58 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.664 1.232 . . . . 0.0 111.365 174.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.46 -50.47 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.043 0.937 . . . . 0.0 111.595 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.55 -139.15 9.64 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.02 0.819 . . . . 0.0 114.23 178.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.11 -22.44 50.86 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -69.94 -6.57 33.95 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 174.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.68 -47.15 29.71 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.416 1.007 . . . . 0.0 113.158 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.33 -37.89 95.56 Favored Glycine 0 N--CA 1.471 0.989 0 O-C-N 121.979 -0.45 . . . . 0.0 113.579 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -63.84 -46.15 86.36 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.953 0.901 . . . . 0.0 110.76 174.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -68.6 -36.86 79.25 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.35 -51.52 58.29 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 118.849 0.749 . . . . 0.0 112.164 170.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.69 -50.47 68.19 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.522 0.729 . . . . 0.0 111.617 175.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -67.78 -35.62 79.0 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -177.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.85 83.44 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.098 0.863 . . . . 0.0 112.674 172.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.4 mt -64.37 -51.45 63.22 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.698 0.681 . . . . 0.0 111.534 173.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -57.28 -46.05 83.5 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.026 0.83 . . . . 0.0 112.257 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.5 ttm105 -58.81 -47.31 85.23 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 125.075 1.35 . . . . 0.0 111.64 174.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 61.8 ttp -53.49 -46.33 69.96 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.515 1.052 . . . . 0.0 112.922 173.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -61.34 -17.47 54.01 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 174.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.1 mt -100.63 -46.53 5.15 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.387 1.075 . . . . 0.0 110.299 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.2 m -68.07 -29.2 68.1 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 126.926 2.09 . . . . 0.0 114.668 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -135.15 76.12 58.4 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 125.861 1.664 . . . . 0.0 109.826 -177.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -46.64 -25.6 3.7 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 124.74 3.626 . . . . 0.0 115.476 -178.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.591 ' O ' HG22 ' A' ' 41' ' ' THR . 3.9 m -46.28 -38.74 8.99 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.848 1.659 . . . . 0.0 114.508 170.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.8 p -65.12 -31.42 72.61 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 119.695 -1.878 . . . . 0.0 112.349 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -58.57 -34.58 71.21 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.983 1.313 . . . . 0.0 112.344 173.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.596 HG21 ' SG ' ' D' ' 93' ' ' CYS . 0.6 OUTLIER -65.87 -19.06 65.74 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 179.147 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.583 ' CE2' HG22 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -67.4 -9.52 42.38 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 121.212 -0.93 . . . . 0.0 113.237 175.781 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 46.71 64.36 8.49 Favored Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 124.927 1.291 . . . . 0.0 112.352 -168.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -47.81 145.02 10.44 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 123.869 3.046 . . . . 0.0 114.861 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.46 4.45 4.79 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 -175.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.88 -175.94 3.95 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.752 1.621 . . . . 0.0 113.406 -168.014 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -122.67 142.8 50.28 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.88 1.272 . . . . 0.0 111.179 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -145.62 31.29 1.08 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.923 1.289 . . . . 0.0 113.114 -165.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.5 t -73.81 38.4 0.1 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.609 1.964 . . . . 0.0 114.347 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.1 m170 63.24 147.13 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 129.0 2.92 . . . . 0.0 114.385 -170.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.91 17.5 51.12 Favored Glycine 0 CA--C 1.543 1.813 0 C-N-CA 124.522 1.058 . . . . 0.0 115.551 -176.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -62.31 133.01 54.53 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.775 1.23 . . . . 0.0 113.562 -170.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.69 -27.47 67.89 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.107 1.363 . . . . 0.0 113.266 171.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -82.94 -40.72 19.74 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.437 0.695 . . . . 0.0 111.471 177.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.92 -41.69 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 O-C-N 121.489 -0.757 . . . . 0.0 111.962 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -62.12 -38.86 90.54 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 119.783 1.174 . . . . 0.0 112.696 175.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.63 -53.49 27.73 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 124.174 0.893 . . . . 0.0 111.936 176.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -56.2 -44.68 79.72 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 117.661 0.731 . . . . 0.0 111.56 174.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.52 -48.68 64.02 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.281 0.943 . . . . 0.0 114.123 172.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -56.18 -42.93 77.87 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 118.55 1.175 . . . . 0.0 112.926 170.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.46 -42.02 68.68 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.063 0.847 . . . . 0.0 111.157 -178.396 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.8 t -55.4 -49.07 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.723 1.209 . . . . 0.0 110.437 169.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.28 86.94 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -63.77 -39.16 93.59 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.127 0.876 . . . . 0.0 112.253 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.05 81.68 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.421 -0.799 . . . . 0.0 112.626 169.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.94 -42.88 94.29 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.38 -0.825 . . . . 0.0 111.635 170.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.9 m -57.39 -44.38 84.44 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.851 1.205 . . . . 0.0 111.96 171.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -58.47 -47.66 83.33 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.804 0.842 . . . . 0.0 110.933 171.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.21 -32.08 70.77 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 174.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.2 t -71.89 -48.79 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 120.125 1.33 . . . . 0.0 110.679 171.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.47 -27.8 67.83 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.217 1.407 . . . . 0.0 113.588 -177.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -124.07 28.03 6.93 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 125.572 1.549 . . . . 0.0 112.105 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.461 HG22 HD13 ' A' ' 2' ' ' LEU . 14.3 p -50.32 -37.21 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 115.17 1.544 . . . . 0.0 115.17 -171.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -103.34 9.48 37.92 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -142.03 33.8 1.55 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.003 2.121 . . . . 0.0 111.122 -171.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.0 ptt? -116.49 55.75 1.39 Allowed Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 125.711 1.605 . . . . 0.0 113.178 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -65.15 -37.25 33.1 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 122.028 1.818 . . . . 0.0 112.269 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -142.76 19.3 2.0 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.532 1.533 . . . . 0.0 113.08 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.81 -10.36 36.98 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 120.131 -1.605 . . . . 0.0 114.548 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.1 mt -113.41 17.67 18.28 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.943 1.697 . . . . 0.0 111.55 171.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.0 t -56.83 -38.74 73.05 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.601 1.16 . . . . 0.0 112.746 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.15 -28.8 59.38 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 173.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mt -84.0 -41.94 16.74 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.007 0.923 . . . . 0.0 111.395 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.4 t -54.81 -42.55 71.98 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 122.682 0.393 . . . . 0.0 111.08 166.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -63.07 -45.81 90.4 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.004 1.322 . . . . 0.0 112.315 174.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.91 -44.82 70.86 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.885 0.766 . . . . 0.0 111.364 173.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -67.51 -63.27 1.09 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.458 0.572 . . . . 0.0 110.888 174.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.06 -30.92 71.97 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -169.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -103.18 2.45 34.5 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.165 0.986 . . . . 0.0 113.159 -171.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -149.76 -32.68 0.2 Allowed 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -174.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 97.2 mt -124.92 -117.91 0.28 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.063 1.745 . . . . 0.0 107.872 168.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 155.64 48.03 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.263 0 C-N-CA 130.495 3.518 . . . . 0.0 113.206 163.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.583 HG22 ' CE2' ' A' ' 42' ' ' TYR . 23.9 t -68.65 140.17 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 O-C-N 120.584 -1.322 . . . . 0.0 112.692 -169.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.71 143.03 51.58 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 126.365 1.866 . . . . 0.0 113.629 175.054 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.63 -22.14 65.74 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.951 2.434 . . . . 0.0 113.251 165.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 36.9 t -52.38 -46.57 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 O-C-N 120.776 -1.203 . . . . 0.0 110.756 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -60.99 -40.97 95.55 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.896 0.771 . . . . 0.0 112.189 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 3.3 t80 -54.06 -46.78 72.06 Favored 'General case' 0 C--N 1.343 0.287 0 O-C-N 121.539 -0.725 . . . . 0.0 111.264 173.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -56.67 -34.8 67.71 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 118.73 0.695 . . . . 0.0 111.741 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.0 mt -63.77 -52.05 62.1 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.149 0.979 . . . . 0.0 110.678 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -41.44 92.94 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.305 1.042 . . . . 0.0 111.99 174.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.0 t -54.3 -52.17 62.3 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.805 1.242 . . . . 0.0 111.927 173.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -58.3 -42.39 86.54 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.197 -0.939 . . . . 0.0 111.246 173.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 87.6 m -70.16 -9.34 55.38 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 175.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.5 mt -92.13 -47.81 7.05 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.139 1.776 . . . . 0.0 111.767 168.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 54.5 mt -51.22 -46.85 62.38 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.611 1.165 . . . . 0.0 111.128 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.475 HG23 ' HA ' ' B' ' 112' ' ' CYS . 7.1 p -52.55 -44.8 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 169.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -64.1 -43.18 96.16 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 123.314 0.646 . . . . 0.0 111.029 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.4 -45.92 88.82 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.41 -32.19 64.6 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.95 -17.61 62.06 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 175.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -118.99 -30.41 5.02 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -174.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.6 mp -78.34 175.91 4.17 Favored Pre-proline 0 CA--C 1.554 1.132 0 C-N-CA 124.55 1.14 . . . . 0.0 110.835 172.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.49 -154.46 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.653 3.569 . . . . 0.0 113.316 156.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.39 57.95 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.779 1.632 . . . . 0.0 114.488 174.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -42.47 -27.61 0.17 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 127.772 2.429 . . . . 0.0 114.249 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -69.8 6.89 1.02 Allowed 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 116.318 1.97 . . . . 0.0 116.318 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.76 160.48 2.82 Favored Pre-proline 0 N--CA 1.49 1.571 0 CA-C-N 121.281 1.855 . . . . 0.0 112.523 175.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -54.45 -50.3 13.92 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.154 1.902 . . . . 0.0 112.491 169.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.49 -54.43 43.43 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.58 0.352 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 46.0 t -75.07 -40.72 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 120.999 -1.063 . . . . 0.0 111.994 -172.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -74.7 -47.5 31.16 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 120.155 1.343 . . . . 0.0 112.709 178.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.63 -47.43 84.44 Favored 'General case' 0 C--N 1.345 0.413 0 CA-C-N 120.1 1.318 . . . . 0.0 110.718 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 99.5 p -60.57 -48.22 82.75 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 117.324 -1.322 . . . . 0.0 113.453 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.2 mt -67.42 -43.83 80.29 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 120.798 1.635 . . . . 0.0 111.886 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.63 -51.09 71.29 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.402 1.001 . . . . 0.0 112.014 177.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -29.27 64.44 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 178.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -62.97 -53.78 48.62 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 119.586 1.085 . . . . 0.0 110.786 170.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.7 mt -59.13 -39.62 82.91 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.688 176.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.23 -42.98 74.1 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 120.796 1.635 . . . . 0.0 113.179 168.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.0 t -64.15 -43.45 95.15 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.11 -0.994 . . . . 0.0 113.096 172.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.5 t -55.07 -43.84 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 O-C-N 121.279 -0.888 . . . . 0.0 110.317 171.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.4 t -57.28 -52.19 66.34 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.782 1.233 . . . . 0.0 112.754 172.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 58.0 m -51.86 -46.31 64.4 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.078 0.951 . . . . 0.0 111.528 175.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.28 -41.2 80.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 O-C-N 121.413 -0.805 . . . . 0.0 112.283 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.91 -15.5 22.14 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.61 1.164 . . . . 0.0 113.737 168.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 20.3 m -101.28 -11.5 19.42 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.87 1.668 . . . . 0.0 111.771 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 N--CA 1.471 0.584 0 C-N-CA 124.972 1.309 . . . . 0.0 112.997 -176.892 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.33 3.3 p . . . . . 0 N--CA 1.513 2.723 0 CA-C-O 116.93 -1.509 . . . . 0.0 113.344 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 26.84 62.06 0.09 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 127.392 2.277 . . . . 0.0 115.931 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 146.99 37.11 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 120.966 -1.084 . . . . 0.0 109.808 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.67 157.98 62.87 Favored Pre-proline 0 N--CA 1.481 1.103 0 CA-C-O 118.667 -0.682 . . . . 0.0 109.873 171.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -52.9 -36.92 76.64 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.595 2.197 . . . . 0.0 114.68 172.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -75.92 -37.86 58.28 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.154 0.888 . . . . 0.0 112.05 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -63.2 -49.55 73.79 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 118.693 -0.67 . . . . 0.0 111.155 171.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -54.23 -49.18 70.07 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.164 1.385 . . . . 0.0 111.072 174.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.6 t -54.2 -46.98 72.56 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.827 0.74 . . . . 0.0 111.194 175.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.54 74.43 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 p -63.93 -52.9 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 CA-C-N 120.13 1.332 . . . . 0.0 111.716 176.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -73.84 -31.0 62.99 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.138 -0.976 . . . . 0.0 112.891 -171.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.86 -37.16 81.47 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 120.511 1.505 . . . . 0.0 112.073 172.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -40.54 95.45 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.596 0.634 . . . . 0.0 110.776 168.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -54.46 -45.83 73.21 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.142 0.883 . . . . 0.0 111.323 171.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.6 -25.97 56.36 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 125.721 1.629 . . . . 0.0 115.578 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -102.05 -12.75 17.89 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.786 1.293 . . . . 0.0 113.581 172.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.89 137.49 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 124.518 1.127 . . . . 0.0 111.977 -173.268 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -87.41 82.2 7.61 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.621 0.769 . . . . 0.0 108.94 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 61.5 t -53.04 -39.43 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 124.123 0.969 . . . . 0.0 113.237 -169.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.21 -6.17 50.15 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -122.17 -51.88 1.98 Allowed 'General case' 0 N--CA 1.473 0.704 0 O-C-N 120.365 -1.46 . . . . 0.0 110.769 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.75 -29.27 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 119.431 1.014 . . . . 0.0 112.351 170.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.81 -42.22 46.8 Favored Glycine 0 N--CA 1.472 1.053 0 CA-C-N 119.48 1.036 . . . . 0.0 112.303 173.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.89 -41.07 99.61 Favored Glycine 0 N--CA 1.47 0.953 0 CA-C-N 117.812 0.806 . . . . 0.0 112.499 171.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -64.21 -39.5 94.11 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 125.073 1.349 . . . . 0.0 111.823 171.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.49 -53.69 48.08 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 120.145 1.339 . . . . 0.0 110.428 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.05 -42.33 99.08 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.083 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -52.5 -62.94 5.34 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-N 119.494 1.043 . . . . 0.0 112.832 170.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 ttt-85 -47.84 -36.78 12.5 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 126.016 1.726 . . . . 0.0 113.611 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tp -69.83 -62.26 1.45 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.693 1.197 . . . . 0.0 110.396 170.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.401 HD22 HD11 ' B' ' 48' ' ' LEU . 9.4 mt -64.98 -12.65 52.4 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.426 1.091 . . . . 0.0 113.749 -170.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.41 ' C ' ' H ' ' B' ' 35' ' ' TYR . 18.2 m -99.46 -3.69 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 115.872 1.805 . . . . 0.0 115.872 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.87 8.36 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 CA-C-N 122.509 2.413 . . . . 0.0 112.585 167.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' TYR . . . . . 0.41 ' H ' ' C ' ' B' ' 33' ' ' VAL . 3.8 t80 44.77 41.94 0.85 Allowed Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 126.674 1.99 . . . . 0.0 113.699 -158.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -75.87 175.29 11.49 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 121.917 1.745 . . . . 0.0 110.402 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -55.48 -22.67 21.89 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 166.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -21.86 66.06 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 119.109 -2.244 . . . . 0.0 113.504 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -56.15 -23.36 34.31 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 171.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -54.95 -22.85 16.44 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 176.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.03 5.51 46.31 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 175.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.74 -25.96 8.52 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.21 -34.63 68.74 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 173.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 77.6 p -90.19 -5.33 56.53 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.581 1.082 . . . . 0.0 112.995 172.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -106.93 -2.8 20.87 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.145 1.378 . . . . 0.0 113.597 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.32 -123.57 29.84 Favored Glycine 0 CA--C 1.535 1.332 0 CA-C-N 120.929 1.695 . . . . 0.0 113.048 175.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.55 111.87 2.23 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.614 0.766 . . . . 0.0 111.428 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.401 HD11 HD22 ' B' ' 32' ' ' LEU . 6.2 tt -146.3 -24.39 0.44 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 24.5 p -60.92 -4.08 0.92 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 -171.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' THR . . . . . 0.415 ' HB ' ' HD2' ' B' ' 51' ' ' PRO . 6.5 p -143.07 163.72 36.1 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 126.606 1.962 . . . . 0.0 109.775 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' PRO . . . . . 0.415 ' HD2' ' HB ' ' B' ' 50' ' ' THR . 4.6 Cg_endo -57.8 -53.43 4.46 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.989 1.792 . . . . 0.0 112.372 175.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -63.09 -27.77 69.62 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.581 1.152 . . . . 0.0 113.108 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.17 -64.25 0.91 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.762 0.71 . . . . 0.0 111.022 169.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 p -68.04 -37.47 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -169.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.76 -26.16 63.23 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 178.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.85 -25.08 10.01 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 123.789 0.709 . . . . 0.0 114.692 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -62.26 120.51 59.16 Favored Pre-proline 0 CA--C 1.555 1.16 0 C-N-CA 124.878 1.271 . . . . 0.0 114.05 -172.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.74 -45.98 32.59 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 124.442 3.428 . . . . 0.0 115.389 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -62.83 -34.95 78.39 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.98 0.912 . . . . 0.0 112.949 -175.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.87 -45.1 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 C-N-CA 124.437 1.095 . . . . 0.0 110.332 171.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.54 -40.39 89.08 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 118.61 0.641 . . . . 0.0 112.253 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.2 99.39 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.396 1.078 . . . . 0.0 113.052 171.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -62.2 -37.59 85.9 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.619 -1.301 . . . . 0.0 112.38 169.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.71 -51.46 33.33 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.614 1.102 . . . . 0.0 113.016 166.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -57.64 -37.97 74.23 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 118.252 1.026 . . . . 0.0 113.225 173.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -69.82 -54.42 13.66 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.11 0.868 . . . . 0.0 113.087 176.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 4.2 m -60.75 -41.83 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 120.253 1.388 . . . . 0.0 111.85 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 tt -78.76 -33.53 46.38 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.483 -0.761 . . . . 0.0 111.646 -176.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.8 -41.27 90.75 Favored Glycine 0 CA--C 1.534 1.219 0 O-C-N 121.06 -1.025 . . . . 0.0 112.212 166.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.03 -41.22 95.47 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.208 1.004 . . . . 0.0 112.434 171.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.405 ' CD2' HD22 ' B' ' 110' ' ' LEU . 9.1 m-30 -58.71 -35.65 72.99 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.297 -1.502 . . . . 0.0 112.075 171.546 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -41.34 81.58 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.862 0.865 . . . . 0.0 113.08 172.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -57.23 -32.56 66.66 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.04 0.836 . . . . 0.0 111.702 170.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.16 -66.0 3.01 Favored Glycine 0 C--N 1.339 0.695 0 C-N-CA 123.746 0.688 . . . . 0.0 111.428 166.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.32 -32.82 39.74 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -178.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.89 -26.73 59.86 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.769 1.627 . . . . 0.0 115.155 176.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -144.67 45.91 1.38 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.324 1.45 . . . . 0.0 112.31 -169.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 93.9 mt -58.78 -23.37 60.07 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -178.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -63.45 -21.31 66.23 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.382 1.073 . . . . 0.0 113.659 173.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -92.63 -68.03 0.82 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.526 0.73 . . . . 0.0 111.914 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 48.94 -17.02 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 118.455 2.761 . . . . 0.0 118.455 -168.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -97.35 -66.1 0.92 Allowed 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.602 1.546 . . . . 0.0 110.036 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.81 -32.39 69.9 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.031 0.824 . . . . 0.0 114.992 -176.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -26.42 65.27 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.37 1.468 . . . . 0.0 113.98 174.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -116.09 -11.46 11.39 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -173.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.57 -40.67 52.83 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.827 1.418 . . . . 0.0 114.827 -172.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 19.9 p -66.78 -34.11 77.11 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.276 1.031 . . . . 0.0 112.949 173.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 41.4 mt -74.69 -38.43 62.37 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.245 1.018 . . . . 0.0 111.691 172.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.0 m -64.73 -37.37 87.37 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.981 1.264 . . . . 0.0 111.624 173.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.58 -55.65 28.53 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.932 1.293 . . . . 0.0 111.56 167.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 27.1 tp -52.91 -58.6 6.41 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.306 1.042 . . . . 0.0 111.36 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -78.25 41.04 0.37 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.254 1.422 . . . . 0.0 112.355 176.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' CYS . . . . . 0.607 ' SG ' HG21 ' C' ' 41' ' ' THR . 8.4 t -155.13 -74.61 0.11 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.503 1.121 . . . . 0.0 109.957 165.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -26.76 68.59 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.361 1.465 . . . . 0.0 114.158 -178.056 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.63 -35.43 9.12 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.997 0.919 . . . . 0.0 111.762 173.256 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mt -135.61 86.04 2.21 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.67 1.988 . . . . 0.0 109.065 -174.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -53.39 -28.81 31.49 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.733 1.213 . . . . 0.0 114.207 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 6.63 101.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 129.721 3.208 . . . . 0.0 115.104 161.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -62.26 139.27 96.28 Favored Pre-proline 0 CA--C 1.548 0.892 0 O-C-N 120.625 -1.297 . . . . 0.0 113.458 -164.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 100' ' ' PRO . . . . . 0.428 ' HD3' ' CE2' ' B' ' 145' ' ' TYR . 31.0 Cg_endo -65.86 -15.88 50.7 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.69 2.927 . . . . 0.0 115.449 -169.144 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -49.15 -38.9 26.93 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.916 0.887 . . . . 0.0 112.027 163.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.05 -37.12 86.28 Favored 'General case' 0 CA--C 1.55 0.973 0 O-C-N 121.338 -0.851 . . . . 0.0 111.026 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -63.87 -47.68 79.73 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.636 1.107 . . . . 0.0 111.229 172.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -56.5 -50.01 73.04 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.734 0.813 . . . . 0.0 110.129 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 74.7 mt -58.83 -46.47 87.61 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.871 0.868 . . . . 0.0 112.073 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.25 -36.96 76.43 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.602 0.637 . . . . 0.0 111.835 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 107' ' ' GLY . . . . . 0.413 ' CA ' HG11 ' B' ' 134' ' ' VAL . . . -65.73 -51.92 42.8 Favored Glycine 0 N--CA 1.469 0.851 0 O-C-N 120.871 -1.143 . . . . 0.0 114.186 171.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -53.71 -27.66 29.37 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.733 0.813 . . . . 0.0 112.585 173.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 8.5 t -81.0 -47.61 20.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 124.524 1.13 . . . . 0.0 113.453 174.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.405 HD22 ' CD2' ' B' ' 71' ' ' PHE . 11.5 tp -48.61 -54.21 15.51 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.406 1.003 . . . . 0.0 110.217 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.655 HG12 ' HB3' ' B' ' 130' ' ' TYR . 5.6 m -58.36 -25.56 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -175.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 112' ' ' CYS . . . . . 0.475 ' HA ' HG23 ' A' ' 107' ' ' VAL . 78.8 m -77.7 -39.83 43.34 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.399 -0.813 . . . . 0.0 112.533 175.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 16.7 m -74.24 -28.99 23.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-N 119.617 1.098 . . . . 0.0 112.832 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.43 ' CD2' ' CZ ' ' B' ' 130' ' ' TYR . 8.4 mp -64.29 -46.03 85.43 Favored 'General case' 0 N--CA 1.463 0.181 0 O-C-N 121.322 -0.861 . . . . 0.0 110.645 170.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.17 72.92 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 171.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -60.21 -52.77 63.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.013 1.278 . . . . 0.0 111.445 171.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -69.52 -23.85 63.65 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -176.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -131.35 49.21 2.34 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.938 1.695 . . . . 0.0 110.908 -174.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.14 -21.65 66.22 Favored Glycine 0 N--CA 1.468 0.831 0 N-CA-C 115.754 1.062 . . . . 0.0 115.754 -169.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -81.36 -2.03 47.7 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.37 1.085 . . . . 0.0 112.434 173.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.52 3.76 3.91 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.567 1.947 . . . . 0.0 113.45 -173.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.32 30.14 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 129.489 3.116 . . . . 0.0 118.112 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 7.4 p -51.08 153.05 3.42 Favored Pre-proline 0 N--CA 1.482 1.146 0 C-N-CA 124.259 1.024 . . . . 0.0 113.52 -166.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -45.87 -49.09 11.51 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.603 2.202 . . . . 0.0 114.134 172.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.91 -26.23 22.4 Favored 'Trans proline' 0 C--N 1.354 0.854 0 CA-C-O 116.74 -1.442 . . . . 0.0 114.37 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 9.4 t -58.8 -52.99 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 CA-C-N 122.837 2.562 . . . . 0.0 111.458 173.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 127' ' ' GLN . . . . . 0.459 ' HG3' HG21 ' A' ' 107' ' ' VAL . 1.1 tm0? -62.45 -47.0 85.96 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.411 0.285 . . . . 0.0 110.533 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.01 -38.12 89.92 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.68 -50.29 65.45 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 124.113 0.965 . . . . 0.0 110.269 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.655 ' HB3' HG12 ' B' ' 111' ' ' VAL . 6.5 m-85 -51.89 -46.24 64.46 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.872 -0.517 . . . . 0.0 111.686 167.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -63.49 -35.36 80.2 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 117.776 -1.107 . . . . 0.0 113.881 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -67.39 -40.02 85.65 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 121.715 2.052 . . . . 0.0 113.124 173.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.8 -43.52 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 120.243 1.383 . . . . 0.0 111.754 171.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.413 HG11 ' CA ' ' B' ' 107' ' ' GLY . 25.6 t -73.42 -29.66 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 119.272 0.942 . . . . 0.0 113.097 -178.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.46 -45.42 90.94 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 120.555 1.525 . . . . 0.0 111.674 169.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -55.21 -45.25 83.25 Favored Glycine 0 N--CA 1.473 1.148 0 N-CA-C 111.976 -0.45 . . . . 0.0 111.976 169.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -44.33 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.203 1.001 . . . . 0.0 113.309 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.26 -44.57 96.23 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.474 -0.766 . . . . 0.0 110.551 177.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -63.92 -35.65 81.38 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.388 0.675 . . . . 0.0 112.349 174.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.64 -47.29 73.04 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.827 0.851 . . . . 0.0 111.842 175.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 13.7 mt -61.53 -37.75 84.91 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.221 0.919 . . . . 0.0 111.1 173.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.4 -6.74 20.46 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 171.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -59.6 -36.12 75.65 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 119.515 -1.991 . . . . 0.0 113.444 -176.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -67.7 -4.27 11.68 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 174.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 145' ' ' TYR . . . . . 0.428 ' CE2' ' HD3' ' B' ' 100' ' ' PRO . 2.2 m-85 . . . . . 0 CA--C 1.554 1.11 0 C-N-CA 126.173 1.789 . . . . 0.0 111.8 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.507 2.414 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.468 HD13 HG22 ' C' ' 73' ' ' VAL . 5.0 mp -140.6 -171.09 3.15 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 119.963 -1.711 . . . . 0.0 110.809 172.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 7.7 p -112.78 141.58 25.68 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 126.059 1.744 . . . . 0.0 111.986 -176.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -52.51 -48.59 21.12 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 124.126 3.217 . . . . 0.0 116.084 -169.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.19 93.82 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 122.108 -0.37 . . . . 0.0 111.431 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.52 -40.07 96.08 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.83 0.452 . . . . 0.0 111.393 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -55.54 -50.21 70.61 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 118.808 0.731 . . . . 0.0 111.054 170.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 56.1 m -59.2 -44.59 92.23 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.825 0.85 . . . . 0.0 111.831 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -62.34 -41.73 98.82 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.634 -0.666 . . . . 0.0 111.918 176.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.31 -49.08 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.836 1.254 . . . . 0.0 111.452 173.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -58.45 -46.57 86.28 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 118.864 0.756 . . . . 0.0 111.547 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.95 -52.42 65.57 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.386 0.675 . . . . 0.0 111.564 177.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.95 -51.88 67.4 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.351 0.66 . . . . 0.0 111.986 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -63.95 -28.14 69.62 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.72 -42.75 99.64 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.584 1.088 . . . . 0.0 113.413 169.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -70.15 -35.04 73.76 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 118.617 1.209 . . . . 0.0 111.303 174.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.47 -50.59 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.251 1.02 . . . . 0.0 111.514 175.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.62 -139.08 9.88 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.099 0.857 . . . . 0.0 114.296 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.06 -22.55 50.75 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -69.88 -6.55 33.46 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 174.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.57 -47.36 28.41 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.564 1.075 . . . . 0.0 113.282 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.28 -37.93 95.64 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 121.909 -0.494 . . . . 0.0 113.503 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -63.53 -46.47 85.85 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.154 0.982 . . . . 0.0 110.81 174.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -68.31 -37.07 80.23 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.22 -51.48 58.59 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-N 118.723 0.692 . . . . 0.0 112.067 170.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.94 -50.42 68.91 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.53 0.732 . . . . 0.0 111.652 175.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -67.62 -35.8 79.61 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.24 83.68 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.122 0.874 . . . . 0.0 112.701 172.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 54.0 mt -64.1 -51.51 63.68 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.555 0.616 . . . . 0.0 111.63 173.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -57.24 -46.14 83.27 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 121.288 -0.882 . . . . 0.0 112.18 177.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.3 ttm105 -58.83 -47.39 84.99 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 124.97 1.308 . . . . 0.0 111.561 174.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 61.7 ttp -53.43 -46.46 69.81 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.601 1.091 . . . . 0.0 112.898 173.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -61.24 -17.75 54.91 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 174.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 34.4 mt -100.12 -46.5 5.3 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.341 1.057 . . . . 0.0 110.474 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 74.4 m -68.16 -29.29 68.13 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 126.956 2.102 . . . . 0.0 114.527 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -135.14 75.92 58.89 Favored Pre-proline 0 CA--C 1.541 0.635 0 C-N-CA 125.934 1.694 . . . . 0.0 109.844 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -46.57 -25.59 3.61 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 124.686 3.591 . . . . 0.0 115.467 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' THR . . . . . 0.59 ' O ' HG22 ' C' ' 41' ' ' THR . 3.9 m -46.15 -38.83 8.71 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.798 1.639 . . . . 0.0 114.537 170.044 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 81.8 p -65.02 -31.49 72.75 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 119.847 -1.783 . . . . 0.0 112.359 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -58.71 -34.39 71.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.03 1.332 . . . . 0.0 112.212 173.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' THR . . . . . 0.607 HG21 ' SG ' ' B' ' 93' ' ' CYS . 0.6 OUTLIER -66.17 -18.92 65.65 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 179.213 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 42' ' ' TYR . . . . . 0.592 ' CE2' HG22 ' C' ' 93' ' ' VAL . 0.1 OUTLIER -67.4 -9.52 42.36 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 121.196 -0.94 . . . . 0.0 113.282 175.699 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 46.69 64.32 8.53 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 124.892 1.277 . . . . 0.0 112.368 -168.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -47.79 145.1 10.24 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 123.924 3.083 . . . . 0.0 114.831 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.48 4.37 4.91 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -175.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.91 -175.93 3.94 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.789 1.636 . . . . 0.0 113.458 -167.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -122.71 142.94 50.15 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.733 1.213 . . . . 0.0 111.145 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -145.61 31.27 1.08 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.887 1.275 . . . . 0.0 113.091 -165.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 2.6 t -73.88 38.45 0.1 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.61 1.964 . . . . 0.0 114.192 -176.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 11.2 m170 63.09 147.3 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 129.085 2.954 . . . . 0.0 114.366 -170.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.62 17.67 49.52 Favored Glycine 0 CA--C 1.542 1.77 0 C-N-CA 124.593 1.092 . . . . 0.0 115.572 -176.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -62.15 133.01 54.66 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.8 1.24 . . . . 0.0 113.623 -171.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.23 67.98 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.159 1.384 . . . . 0.0 113.147 171.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -83.3 -40.73 19.14 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.383 0.673 . . . . 0.0 111.446 177.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.79 -41.64 88.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 O-C-N 121.471 -0.768 . . . . 0.0 111.995 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -61.98 -39.06 90.87 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 119.756 1.162 . . . . 0.0 112.684 175.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.62 -53.38 28.39 Favored Glycine 0 N--CA 1.469 0.878 0 C-N-CA 124.06 0.838 . . . . 0.0 112.018 176.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -56.28 -44.56 79.91 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.905 -0.762 . . . . 0.0 111.699 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.54 -48.79 63.59 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.422 1.01 . . . . 0.0 113.932 172.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -56.16 -42.84 77.67 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 118.597 1.199 . . . . 0.0 112.903 171.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.65 -41.88 68.22 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.1 0.864 . . . . 0.0 111.086 -178.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 63.6 t -55.75 -48.73 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.594 1.158 . . . . 0.0 110.422 169.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.33 -47.29 86.6 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -63.81 -38.95 92.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.045 0.839 . . . . 0.0 112.298 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.36 -36.97 81.7 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.271 -0.893 . . . . 0.0 112.609 169.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -42.79 94.23 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.324 -0.86 . . . . 0.0 111.622 170.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 90.9 m -57.47 -44.38 84.79 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.917 1.235 . . . . 0.0 111.886 171.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -58.59 -47.5 84.11 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.108 0.867 . . . . 0.0 110.996 171.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.19 -32.21 70.87 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 174.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 77.1 t -71.74 -49.02 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 120.19 1.359 . . . . 0.0 110.628 171.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.21 -28.02 67.65 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.364 1.466 . . . . 0.0 113.561 -177.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -124.02 28.06 6.95 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.449 1.5 . . . . 0.0 112.053 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.468 HG22 HD13 ' C' ' 2' ' ' LEU . 14.4 p -50.26 -37.44 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -171.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -103.25 9.55 38.08 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -142.16 33.9 1.53 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.97 2.108 . . . . 0.0 111.068 -171.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -116.55 55.76 1.41 Allowed Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 125.545 1.538 . . . . 0.0 113.204 -177.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -64.93 -37.42 34.13 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 122.009 1.806 . . . . 0.0 112.34 178.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -142.72 19.28 2.0 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.496 1.518 . . . . 0.0 113.13 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.89 -10.23 36.57 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 120.097 -1.627 . . . . 0.0 114.595 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 30.8 mt -113.38 17.56 18.39 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.088 1.755 . . . . 0.0 111.498 171.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 41.1 t -56.67 -38.96 72.92 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.71 1.204 . . . . 0.0 112.749 -176.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.22 -28.62 59.06 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 173.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 10.6 mt -84.06 -42.02 16.56 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.069 0.948 . . . . 0.0 111.288 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 33.6 t -54.94 -42.48 72.36 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.572 0.349 . . . . 0.0 110.945 166.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -63.08 -45.79 90.45 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.067 1.347 . . . . 0.0 112.355 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -44.84 70.51 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.901 0.773 . . . . 0.0 111.405 173.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -67.55 -63.27 1.09 Allowed 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.609 -0.682 . . . . 0.0 110.909 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.08 -30.86 71.93 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -169.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -103.17 2.3 34.32 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.153 0.981 . . . . 0.0 113.049 -171.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -149.74 -32.61 0.2 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -174.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 97.2 mt -125.01 -117.71 0.28 Allowed 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 116.401 -1.761 . . . . 0.0 107.782 168.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . 0.25 0.0 OUTLIER 155.55 47.82 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.313 0 C-N-CA 130.523 3.529 . . . . 0.0 113.175 164.037 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 93' ' ' VAL . . . . . 0.592 HG22 ' CE2' ' C' ' 42' ' ' TYR . 23.6 t -68.42 140.11 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 O-C-N 120.657 -1.277 . . . . 0.0 112.722 -169.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.7 142.98 51.67 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 126.416 1.887 . . . . 0.0 113.619 175.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -59.48 -22.32 65.74 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 123.026 2.484 . . . . 0.0 113.232 165.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 37.7 t -52.34 -46.47 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 120.675 -1.266 . . . . 0.0 110.722 167.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -61.1 -41.07 95.99 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.847 0.749 . . . . 0.0 112.238 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 98' ' ' PHE . . . . . 0.41 ' C ' ' CD1' ' C' ' 98' ' ' PHE . 3.4 t80 -53.91 -46.84 71.56 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.492 -0.755 . . . . 0.0 111.275 172.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -56.53 -34.83 67.41 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 118.828 0.74 . . . . 0.0 111.944 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.79 -52.24 61.15 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.094 0.958 . . . . 0.0 110.868 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -40.89 91.49 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.292 1.037 . . . . 0.0 112.148 174.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 11.0 t -54.57 -52.34 62.4 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.766 1.226 . . . . 0.0 112.129 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -58.32 -42.43 86.75 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 120.997 -1.064 . . . . 0.0 111.237 173.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 92.0 m -69.29 -10.56 58.39 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 174.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 14.4 mt -91.42 -47.43 7.45 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.156 1.782 . . . . 0.0 111.852 168.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 53.8 mt -51.22 -46.99 62.43 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.645 1.178 . . . . 0.0 111.107 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 107' ' ' VAL . . . . . 0.473 HG23 ' HA ' ' D' ' 112' ' ' CYS . 7.2 p -52.44 -45.04 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 170.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -64.13 -43.17 96.09 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.295 0.638 . . . . 0.0 110.893 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.26 -46.0 88.87 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.46 -31.95 64.48 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.54 -17.3 61.74 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.594 1.701 . . . . 0.0 115.594 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -118.96 -30.42 5.03 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -174.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.6 mp -78.38 175.85 4.24 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 124.582 1.153 . . . . 0.0 110.939 172.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.56 -154.53 0.0 OUTLIER 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 124.722 3.615 . . . . 0.0 113.221 156.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.24 57.84 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.747 1.619 . . . . 0.0 114.502 174.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -42.46 -27.67 0.17 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.88 2.472 . . . . 0.0 114.105 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -69.85 7.14 0.97 Allowed 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.07 160.45 3.13 Favored Pre-proline 0 N--CA 1.489 1.499 0 CA-C-N 121.387 1.903 . . . . 0.0 112.512 175.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -54.28 -50.27 14.09 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.069 1.846 . . . . 0.0 112.627 169.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.54 -54.55 41.62 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.623 0.369 . . . . 0.0 110.616 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.26 -40.4 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 O-C-N 121.056 -1.027 . . . . 0.0 111.932 -172.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -74.95 -47.28 30.31 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 120.202 1.364 . . . . 0.0 112.761 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.76 -47.33 85.06 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 120.081 1.309 . . . . 0.0 110.604 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 99.7 p -60.73 -48.12 83.2 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 117.406 -1.283 . . . . 0.0 113.456 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 78.3 mt -67.38 -43.93 80.18 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 120.642 1.564 . . . . 0.0 111.778 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -59.54 -51.19 70.93 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.59 1.086 . . . . 0.0 112.058 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -29.46 64.77 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -63.23 -53.52 51.82 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 117.595 -1.193 . . . . 0.0 110.668 170.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.89 -40.1 83.43 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.467 1.031 . . . . 0.0 110.782 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.05 -42.91 73.31 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 120.137 -1.602 . . . . 0.0 113.143 169.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 17.3 t -64.24 -43.11 95.93 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 120.908 -1.12 . . . . 0.0 113.116 172.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 50.6 t -55.68 -43.55 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.289 -0.882 . . . . 0.0 110.158 171.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 4.4 t -57.28 -52.33 65.75 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.711 1.204 . . . . 0.0 112.746 172.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 59.4 m -51.83 -46.19 64.25 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.883 0.873 . . . . 0.0 111.562 175.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 61.5 t -69.41 -41.2 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 O-C-N 121.526 -0.734 . . . . 0.0 112.081 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -15.34 21.83 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.447 1.099 . . . . 0.0 113.757 168.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 20.4 m -101.44 -11.54 19.27 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.737 1.615 . . . . 0.0 111.734 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 N--CA 1.473 0.693 0 C-N-CA 124.854 1.262 . . . . 0.0 113.2 -177.095 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.335 3.4 p . . . . . 0 N--CA 1.515 2.808 0 CA-C-O 117.032 -1.461 . . . . 0.0 113.287 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 34.5 p-80 26.93 62.12 0.09 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 127.566 2.347 . . . . 0.0 115.811 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.19 147.04 36.83 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 120.919 -1.113 . . . . 0.0 109.751 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.61 157.98 62.46 Favored Pre-proline 0 N--CA 1.481 1.122 0 CA-C-O 118.679 -0.677 . . . . 0.0 109.949 171.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -52.85 -36.95 76.27 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.488 2.125 . . . . 0.0 114.788 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -75.97 -37.89 58.09 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.118 0.872 . . . . 0.0 112.012 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -63.15 -49.37 74.63 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.614 -0.679 . . . . 0.0 111.187 171.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -54.44 -49.27 70.4 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.183 1.393 . . . . 0.0 110.973 174.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 28.7 t -54.01 -47.16 71.78 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.855 0.752 . . . . 0.0 111.182 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.69 74.29 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 3.0 p -64.1 -52.86 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.275 0 CA-C-N 120.191 1.359 . . . . 0.0 111.625 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -73.98 -31.2 62.88 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.133 -0.979 . . . . 0.0 112.996 -171.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.64 -37.06 81.9 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 120.524 1.511 . . . . 0.0 112.019 172.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -40.07 94.05 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.625 -0.672 . . . . 0.0 110.824 169.237 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -54.53 -45.86 73.46 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.019 0.827 . . . . 0.0 111.522 170.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.21 -26.88 56.93 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.825 1.679 . . . . 0.0 115.461 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -101.53 -13.09 18.03 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.781 1.291 . . . . 0.0 113.524 172.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.48 137.52 21.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.611 1.164 . . . . 0.0 112.07 -173.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -87.43 82.19 7.6 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.75 0.82 . . . . 0.0 108.83 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 62.0 t -53.01 -39.41 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 C-N-CA 124.114 0.966 . . . . 0.0 113.366 -170.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.28 -6.07 49.83 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -122.29 -51.74 1.97 Allowed 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.326 -1.484 . . . . 0.0 110.842 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -29.49 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 119.438 1.017 . . . . 0.0 112.506 170.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.79 -42.36 46.43 Favored Glycine 0 N--CA 1.472 1.056 0 O-C-N 121.004 -1.06 . . . . 0.0 112.055 173.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.83 -41.17 99.6 Favored Glycine 0 N--CA 1.472 1.045 0 CA-C-N 117.959 0.879 . . . . 0.0 112.51 171.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -64.11 -39.63 94.47 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.978 1.311 . . . . 0.0 111.854 171.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.25 -53.98 44.56 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 120.191 1.36 . . . . 0.0 110.469 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 mp -61.8 -42.4 98.96 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.107 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -52.6 -63.07 5.25 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 119.585 1.084 . . . . 0.0 112.517 171.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 16.7 ttt-85 -47.94 -36.57 12.66 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.987 1.715 . . . . 0.0 113.515 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 tp -69.75 -62.24 1.46 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.651 1.18 . . . . 0.0 110.453 169.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mt -65.1 -12.99 56.82 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.532 1.133 . . . . 0.0 113.599 -170.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 33' ' ' VAL . . . . . 0.409 ' C ' ' H ' ' D' ' 35' ' ' TYR . 17.7 m -98.62 -4.14 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 176.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.86 8.33 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 CA-C-N 122.589 2.45 . . . . 0.0 112.601 168.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 35' ' ' TYR . . . . . 0.409 ' H ' ' C ' ' D' ' 33' ' ' VAL . 3.7 t80 44.65 41.99 0.85 Allowed Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 126.614 1.966 . . . . 0.0 113.727 -158.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -75.8 175.26 11.53 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.84 1.694 . . . . 0.0 110.501 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -55.65 -22.48 23.09 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 166.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -21.8 66.13 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 119.413 -2.054 . . . . 0.0 113.511 178.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -56.3 -23.27 35.73 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 171.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -55.03 -23.03 17.71 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 115.405 1.632 . . . . 0.0 115.405 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.74 5.64 45.09 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 175.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.81 -26.06 9.01 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.081 -1.637 . . . . 0.0 115.329 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.19 -34.5 68.55 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 173.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 78.2 p -90.26 -5.27 56.52 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.707 1.139 . . . . 0.0 112.996 172.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -107.12 -2.58 20.81 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.924 1.29 . . . . 0.0 113.526 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.34 -123.7 30.09 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-N 121.049 1.749 . . . . 0.0 113.045 175.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.51 111.99 2.28 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.537 0.735 . . . . 0.0 111.351 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 tt -146.33 -24.56 0.43 Allowed 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 24.7 p -60.65 -4.29 0.9 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 116.612 2.078 . . . . 0.0 116.612 -171.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 50' ' ' THR . . . . . 0.42 ' HB ' ' HD2' ' D' ' 51' ' ' PRO . 6.5 p -143.02 163.67 36.48 Favored Pre-proline 0 N--CA 1.475 0.792 0 C-N-CA 126.646 1.978 . . . . 0.0 109.766 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 51' ' ' PRO . . . . . 0.42 ' HD2' ' HB ' ' D' ' 50' ' ' THR . 4.5 Cg_endo -57.86 -53.42 4.44 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 122.032 1.822 . . . . 0.0 112.267 175.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -62.95 -27.91 69.72 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.648 1.179 . . . . 0.0 113.187 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.09 -64.4 0.87 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.635 0.652 . . . . 0.0 111.053 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 p -67.88 -37.49 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -169.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.89 -26.06 63.07 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.85 -25.02 10.05 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 123.726 0.679 . . . . 0.0 114.789 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -62.16 120.52 58.87 Favored Pre-proline 0 CA--C 1.555 1.153 0 C-N-CA 124.888 1.275 . . . . 0.0 114.057 -172.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -50.7 -45.87 33.04 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 124.389 3.392 . . . . 0.0 115.531 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -62.99 -34.84 78.38 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.023 0.929 . . . . 0.0 112.899 -175.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 74.4 t -65.04 -45.04 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 124.422 1.089 . . . . 0.0 110.282 171.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -40.55 89.21 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 118.463 0.574 . . . . 0.0 112.292 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.29 99.17 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.43 1.092 . . . . 0.0 113.11 171.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -62.41 -37.56 86.27 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.661 -1.274 . . . . 0.0 112.278 169.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.7 -51.38 33.57 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.476 1.036 . . . . 0.0 113.059 166.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -57.52 -38.19 74.26 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 118.174 0.987 . . . . 0.0 113.246 173.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -69.8 -54.45 13.58 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 118.049 -0.977 . . . . 0.0 112.995 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 m -60.51 -41.92 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 120.416 1.462 . . . . 0.0 112.119 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 3.8 tt -78.77 -33.59 46.28 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.248 -0.908 . . . . 0.0 111.461 -176.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.59 -41.33 89.17 Favored Glycine 0 CA--C 1.535 1.293 0 O-C-N 121.362 -0.836 . . . . 0.0 112.34 166.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.21 95.72 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 117.877 0.838 . . . . 0.0 112.543 170.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 71' ' ' PHE . . . . . 0.408 ' CD2' HD22 ' D' ' 110' ' ' LEU . 9.0 m-30 -58.82 -35.44 72.89 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 120.41 -1.432 . . . . 0.0 112.111 171.481 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -41.29 81.23 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.85 0.86 . . . . 0.0 113.065 172.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -57.24 -32.61 66.73 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.968 0.804 . . . . 0.0 111.641 170.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.11 -65.93 3.06 Favored Glycine 0 C--N 1.339 0.739 0 C-N-CA 123.643 0.64 . . . . 0.0 111.622 166.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.1 mt -52.5 -32.68 41.35 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.91 -26.66 59.8 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.735 1.614 . . . . 0.0 115.103 176.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -144.67 45.84 1.38 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.326 1.45 . . . . 0.0 112.351 -169.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 93.8 mt -58.78 -23.48 60.25 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -63.37 -21.27 66.18 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.344 1.058 . . . . 0.0 113.704 173.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -92.67 -68.04 0.82 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.47 0.708 . . . . 0.0 111.939 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 49.01 -17.07 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 118.488 2.773 . . . . 0.0 118.488 -168.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -97.43 -65.91 0.93 Allowed 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 120.587 1.54 . . . . 0.0 110.091 172.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.89 -32.48 70.43 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.001 0.81 . . . . 0.0 114.896 -176.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.67 -26.58 65.38 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.312 1.445 . . . . 0.0 114.077 174.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -115.78 -11.68 11.57 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -173.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.36 -40.73 50.15 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -171.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 20.3 p -66.72 -33.99 76.87 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.35 1.06 . . . . 0.0 113.014 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 41.3 mt -74.84 -38.54 61.97 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 124.157 0.983 . . . . 0.0 111.737 172.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 2.8 m -64.54 -37.53 87.89 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.852 1.206 . . . . 0.0 111.708 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -55.75 28.4 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.92 1.288 . . . . 0.0 111.535 167.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 26.9 tp -52.94 -58.68 6.12 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.256 1.023 . . . . 0.0 111.301 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -78.05 40.91 0.35 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.195 1.398 . . . . 0.0 112.541 176.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 93' ' ' CYS . . . . . 0.596 ' SG ' HG21 ' A' ' 41' ' ' THR . 8.4 t -155.08 -74.71 0.11 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.489 1.116 . . . . 0.0 109.888 165.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -26.87 68.57 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.432 1.493 . . . . 0.0 114.101 -177.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.81 -35.27 9.1 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.885 0.874 . . . . 0.0 111.666 173.431 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mt -135.73 85.95 2.2 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.803 2.041 . . . . 0.0 109.107 -174.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -53.41 -28.79 31.7 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 6.61 101.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 129.69 3.196 . . . . 0.0 115.229 161.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.15 139.25 96.09 Favored Pre-proline 0 CA--C 1.55 0.958 0 O-C-N 120.561 -1.337 . . . . 0.0 113.636 -164.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 100' ' ' PRO . . . . . 0.422 ' HD3' ' CE2' ' D' ' 145' ' ' TYR . 31.1 Cg_endo -65.76 -16.01 51.49 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.586 2.858 . . . . 0.0 115.359 -168.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -49.39 -38.57 29.27 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.166 -0.959 . . . . 0.0 111.924 163.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.29 -36.99 85.9 Favored 'General case' 0 CA--C 1.553 1.07 0 O-C-N 121.298 -0.876 . . . . 0.0 110.88 177.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -64.0 -47.76 79.05 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.624 1.102 . . . . 0.0 111.301 172.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -56.53 -50.31 72.23 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.707 0.803 . . . . 0.0 110.443 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 74.7 mt -57.79 -47.0 83.8 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.16 0.984 . . . . 0.0 112.337 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.16 -36.79 75.91 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.722 0.692 . . . . 0.0 111.82 176.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 107' ' ' GLY . . . . . 0.423 ' CA ' HG11 ' D' ' 134' ' ' VAL . . . -66.02 -51.85 41.89 Favored Glycine 0 N--CA 1.469 0.838 0 O-C-N 121.136 -0.977 . . . . 0.0 114.159 171.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -53.26 -27.94 25.12 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.867 0.867 . . . . 0.0 112.767 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 7.7 t -81.12 -47.76 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 124.524 1.13 . . . . 0.0 113.377 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 110' ' ' LEU . . . . . 0.408 HD22 ' CD2' ' D' ' 71' ' ' PHE . 12.1 tp -48.39 -53.51 17.38 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.528 1.058 . . . . 0.0 110.434 177.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 111' ' ' VAL . . . . . 0.655 HG12 ' HB3' ' D' ' 130' ' ' TYR . 5.2 m -59.19 -25.3 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -174.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 112' ' ' CYS . . . . . 0.473 ' HA ' HG23 ' C' ' 107' ' ' VAL . 79.5 m -77.63 -40.15 42.84 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.405 -0.809 . . . . 0.0 112.796 174.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 17.0 m -73.85 -28.93 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 119.698 1.135 . . . . 0.0 113.039 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 114' ' ' LEU . . . . . 0.437 ' CD2' ' CZ ' ' D' ' 130' ' ' TYR . 8.4 mp -64.27 -46.23 84.58 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 119.142 0.883 . . . . 0.0 110.398 170.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.06 -34.27 73.2 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.248 0.832 . . . . 0.0 113.248 172.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -60.12 -53.07 62.15 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.912 1.233 . . . . 0.0 111.425 171.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -69.2 -23.67 63.94 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -176.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -131.4 49.21 2.34 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.095 1.758 . . . . 0.0 110.997 -174.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.2 -21.65 66.36 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 115.761 1.064 . . . . 0.0 115.761 -169.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -81.48 -1.85 47.51 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.314 1.057 . . . . 0.0 112.378 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.45 3.71 3.92 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.612 1.965 . . . . 0.0 113.491 -173.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.21 30.1 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 129.389 3.076 . . . . 0.0 118.299 -178.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 7.5 p -51.04 153.11 3.32 Favored Pre-proline 0 N--CA 1.479 0.989 0 C-N-CA 124.398 1.079 . . . . 0.0 113.446 -166.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -46.08 -48.99 11.96 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 122.647 2.231 . . . . 0.0 114.1 172.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.95 -26.17 22.29 Favored 'Trans proline' 0 C--N 1.356 0.93 0 CA-C-O 116.757 -1.435 . . . . 0.0 114.465 174.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 9.9 t -58.91 -52.95 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 CA-C-N 122.822 2.555 . . . . 0.0 111.442 172.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 127' ' ' GLN . . . . . 0.47 ' HG3' HG21 ' C' ' 107' ' ' VAL . 1.1 tm0? -62.35 -47.05 85.91 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.481 0.312 . . . . 0.0 110.534 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.24 -37.88 89.07 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.83 -50.16 65.62 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.236 1.014 . . . . 0.0 110.323 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 130' ' ' TYR . . . . . 0.655 ' HB3' HG12 ' D' ' 111' ' ' VAL . 6.4 m-85 -51.96 -46.2 64.7 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.236 0.471 . . . . 0.0 111.763 167.284 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -63.51 -35.62 81.05 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 117.748 -1.12 . . . . 0.0 113.817 177.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -67.22 -40.23 86.36 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 121.701 2.046 . . . . 0.0 113.165 173.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 4.5 p -67.38 -43.93 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 CA-C-N 120.281 1.401 . . . . 0.0 111.745 171.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 134' ' ' VAL . . . . . 0.423 HG11 ' CA ' ' D' ' 107' ' ' GLY . 26.2 t -73.41 -29.82 28.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 119.29 0.95 . . . . 0.0 112.946 -177.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.3 -45.53 90.92 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 120.746 1.612 . . . . 0.0 111.687 169.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -54.96 -45.33 81.49 Favored Glycine 0 N--CA 1.473 1.109 0 O-C-N 121.979 -0.451 . . . . 0.0 112.202 168.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.59 -44.28 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.276 1.03 . . . . 0.0 113.284 176.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.24 -44.48 96.46 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.327 -0.858 . . . . 0.0 110.554 177.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -64.18 -35.78 81.9 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.407 0.683 . . . . 0.0 112.255 174.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.65 -47.45 72.47 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.678 0.791 . . . . 0.0 112.171 175.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.73 -38.23 84.4 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.581 1.082 . . . . 0.0 111.12 172.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.72 -6.34 20.43 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 172.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -59.49 -36.2 75.58 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 119.518 -1.989 . . . . 0.0 113.491 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -67.68 -4.18 11.35 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 174.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 145' ' ' TYR . . . . . 0.422 ' CE2' ' HD3' ' D' ' 100' ' ' PRO . 2.2 m-85 -95.61 11.03 34.64 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.334 1.854 . . . . 0.0 111.798 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.257 1.492 0 C-N-CA 127.924 2.49 . . . . 0.0 115.269 174.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.511 2.607 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -137.72 -177.19 4.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 119.522 -1.986 . . . . 0.0 113.03 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.04 -163.33 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.197 0 C-N-CA 126.267 1.827 . . . . 0.0 112.02 176.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -102.82 -38.79 0.02 OUTLIER 'Trans proline' 0 CA--C 1.546 1.116 0 C-N-CA 123.088 2.525 . . . . 0.0 115.074 169.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.68 -32.17 71.79 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 120.613 -1.305 . . . . 0.0 112.774 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -59.27 -48.64 80.86 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 125.006 1.322 . . . . 0.0 112.698 166.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -55.57 -49.08 73.67 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.035 0.834 . . . . 0.0 109.969 174.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.6 m -55.56 -50.23 70.6 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.648 0.779 . . . . 0.0 112.327 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -61.39 -39.77 91.91 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 118.592 0.633 . . . . 0.0 112.258 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.5 t -65.18 -44.19 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 123.954 0.901 . . . . 0.0 111.439 175.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -61.66 -46.16 90.93 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.551 1.068 . . . . 0.0 111.27 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.71 -52.8 63.93 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.392 0.677 . . . . 0.0 111.209 175.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.42 -51.53 69.04 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.523 1.129 . . . . 0.0 111.879 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -66.26 -27.46 67.96 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.329 -0.857 . . . . 0.0 113.095 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.77 -41.63 94.05 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.215 0.912 . . . . 0.0 112.986 167.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -69.43 -35.2 75.47 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 118.306 1.053 . . . . 0.0 111.847 171.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.426 HG12 ' HB2' ' A' ' 21' ' ' ALA . 86.3 t -65.69 -27.05 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 125.054 1.342 . . . . 0.0 113.765 177.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -35.87 123.06 0.69 Allowed Glycine 0 CA--C 1.541 1.715 0 C-N-CA 125.159 1.361 . . . . 0.0 114.394 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 78.85 -39.24 0.23 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 129.19 2.996 . . . . 0.0 114.539 -173.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -75.33 -17.42 60.26 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.341 1.056 . . . . 0.0 113.607 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -38.67 -54.35 1.56 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 127.144 2.177 . . . . 0.0 114.552 -178.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.36 -32.49 65.04 Favored Glycine 0 N--CA 1.467 0.705 0 O-C-N 121.641 -0.662 . . . . 0.0 114.149 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -59.27 -45.89 90.0 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.896 0.878 . . . . 0.0 109.531 170.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.511 ' HA ' HG21 ' A' ' 108' ' ' THR . 13.1 m-30 -65.99 -39.89 90.72 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.63 -47.0 93.33 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 123.308 0.48 . . . . 0.0 112.648 171.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.5 -45.73 90.85 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 117.979 0.889 . . . . 0.0 112.12 176.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -41.2 97.91 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 123.231 0.613 . . . . 0.0 112.301 174.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.21 -45.92 89.44 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.34 0.518 . . . . 0.0 112.048 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.3 mt -56.12 -54.41 45.43 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.063 0.945 . . . . 0.0 111.046 175.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -58.14 -41.0 82.78 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 122.838 0.455 . . . . 0.0 111.86 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.4 ttm105 -61.34 -35.3 77.03 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 117.222 -1.37 . . . . 0.0 113.031 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.3 mtm -61.24 -45.91 92.58 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.58 1.536 . . . . 0.0 111.56 171.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -66.43 -15.76 63.58 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -111.34 -22.76 11.17 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.845 1.258 . . . . 0.0 113.248 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 82.1 p -80.08 -36.28 35.75 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.027 1.285 . . . . 0.0 113.59 171.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -130.77 80.45 69.74 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 127.614 2.366 . . . . 0.0 109.219 -175.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.38 -17.09 3.84 Favored 'Trans proline' 0 CA--C 1.545 1.045 0 C-N-CA 123.784 2.989 . . . . 0.0 115.695 175.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.5 p -54.9 -30.26 57.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.254 1.422 . . . . 0.0 114.178 165.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.454 HG22 ' ND2' ' A' ' 97' ' ' ASN . 13.5 p -63.88 -39.31 93.88 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 120.853 1.661 . . . . 0.0 111.43 174.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -56.2 -37.7 70.0 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.724 1.61 . . . . 0.0 112.671 -176.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.19 -24.55 66.41 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 177.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -67.84 -12.44 60.63 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.229 -0.92 . . . . 0.0 112.525 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 32.5 57.54 1.33 Allowed Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 127.232 2.213 . . . . 0.0 112.892 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -77.8 64.0 8.13 Favored 'Trans proline' 0 CA--C 1.545 1.034 0 C-N-CA 124.217 3.278 . . . . 0.0 112.575 -162.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.291 3.4 p-80 49.45 20.55 0.48 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 128.737 2.815 . . . . 0.0 116.036 -168.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -111.74 149.2 32.01 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.163 1.385 . . . . 0.0 112.151 -173.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.27 -18.58 6.77 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.079 1.752 . . . . 0.0 113.402 -173.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt 51.71 38.25 22.37 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.704 1.601 . . . . 0.0 113.745 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.8 p -67.44 22.48 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 128.169 2.588 . . . . 0.0 116.898 -172.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.0 m80 73.36 114.23 0.06 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 128.646 2.778 . . . . 0.0 112.912 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.85 25.8 70.83 Favored Glycine 0 CA--C 1.539 1.552 0 O-C-N 121.512 -0.743 . . . . 0.0 113.978 -174.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.4 p -64.98 142.09 58.56 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.242 1.017 . . . . 0.0 113.412 -169.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.83 -33.27 75.31 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.546 -0.721 . . . . 0.0 112.718 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.48 -40.86 98.23 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.15 -44.42 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 119.864 1.211 . . . . 0.0 111.351 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -44.59 95.81 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.693 0.678 . . . . 0.0 112.068 174.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.22 -51.55 58.15 Favored Glycine 0 N--CA 1.471 1.012 0 C-N-CA 123.933 0.777 . . . . 0.0 112.366 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -58.63 -41.62 86.39 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.861 -0.788 . . . . 0.0 111.757 173.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.6 -49.85 44.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 121.537 -0.727 . . . . 0.0 113.222 170.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.1 -44.45 87.64 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 118.292 1.046 . . . . 0.0 112.256 173.297 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -59.4 -54.28 48.52 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.591 1.087 . . . . 0.0 111.941 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.2 t -53.79 -41.86 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.983 0.913 . . . . 0.0 110.943 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -65.91 -45.45 81.89 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 176.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -61.69 -35.69 78.73 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.057 1.299 . . . . 0.0 112.295 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.07 -43.72 98.23 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.435 -0.79 . . . . 0.0 112.405 169.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.97 -43.2 86.33 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.304 170.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.4 m -59.15 -45.56 90.66 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 119.866 1.212 . . . . 0.0 111.86 173.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -34.34 78.17 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.625 1.102 . . . . 0.0 111.802 177.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.64 79.88 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.461 -0.781 . . . . 0.0 111.05 169.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.8 t -56.89 -45.46 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 120.122 1.328 . . . . 0.0 111.449 174.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.6 -25.37 67.3 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -141.08 31.51 1.77 Allowed 'General case' 0 C--O 1.219 -0.533 0 C-N-CA 124.196 0.999 . . . . 0.0 112.823 -167.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.2 p -60.99 -16.38 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 119.374 -2.079 . . . . 0.0 115.956 -162.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -102.04 -0.42 33.6 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 172.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -130.61 -0.69 4.37 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 128.371 2.668 . . . . 0.0 113.322 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -60.86 -15.92 0.32 Allowed Pre-proline 0 CA--C 1.543 0.686 0 N-CA-C 117.352 2.353 . . . . 0.0 117.352 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -47.17 -30.21 10.24 Favored 'Trans proline' 0 C--N 1.358 1.035 0 CA-C-N 123.788 2.389 . . . . 0.0 115.657 163.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.8 -40.3 16.17 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.198 0.908 . . . . 0.0 113.171 170.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.53 -24.85 61.19 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -175.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 79.3 mt -97.53 2.81 50.56 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.966 1.307 . . . . 0.0 112.569 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.1 m -53.82 -41.02 66.88 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 120.172 1.351 . . . . 0.0 113.871 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.64 -15.7 31.08 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 176.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mt -109.26 -31.3 7.62 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.385 1.874 . . . . 0.0 111.082 -172.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.7 m -56.21 -42.39 77.16 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 119.155 -0.45 . . . . 0.0 110.387 153.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -61.96 -32.31 72.73 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.532 1.06 . . . . 0.0 112.902 172.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.0 -66.09 0.56 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 120.065 1.302 . . . . 0.0 108.762 162.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -61.3 -10.09 6.4 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 -173.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.52 -11.8 7.79 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.677 1.591 . . . . 0.0 114.729 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -134.69 -1.4 2.77 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 120.047 1.294 . . . . 0.0 114.429 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.84 98.77 2.22 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.886 1.274 . . . . 0.0 112.069 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.5 mt 69.78 81.25 0.17 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.442 1.497 . . . . 0.0 111.003 -175.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -63.73 -6.12 5.15 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 116.072 1.878 . . . . 0.0 116.072 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 24.3 t -1.31 114.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 129.904 3.282 . . . . 0.0 115.25 174.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -34.82 123.99 0.55 Allowed Pre-proline 0 CA--C 1.556 1.192 0 C-N-CA 125.125 1.37 . . . . 0.0 112.635 171.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -42.85 -13.12 0.04 OUTLIER 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 124.929 3.753 . . . . 0.0 117.017 168.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.5 p -42.36 -40.73 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 121.223 1.829 . . . . 0.0 112.681 161.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.454 ' ND2' HG22 ' A' ' 39' ' ' THR . 26.9 m120 -73.6 -25.42 60.32 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 117.652 -1.166 . . . . 0.0 113.028 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -57.91 -52.69 64.46 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 120.063 1.301 . . . . 0.0 108.885 166.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -55.89 -38.07 69.7 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.004 0.922 . . . . 0.0 111.612 -176.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 77.2 mt -69.58 -48.0 61.68 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 119.01 -0.519 . . . . 0.0 111.405 175.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.85 -42.87 98.68 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 119.307 0.958 . . . . 0.0 112.364 176.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 82.5 p -68.03 -46.01 72.38 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 119.34 0.973 . . . . 0.0 112.298 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -64.72 -44.37 90.41 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.473 1.033 . . . . 0.0 111.835 172.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 62.6 m -62.1 -38.56 89.34 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 118.039 -0.981 . . . . 0.0 112.456 176.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.9 -54.31 47.66 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.763 1.165 . . . . 0.0 110.933 169.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 45.0 mt -50.1 -43.33 51.47 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.698 1.135 . . . . 0.0 111.652 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.77 -42.89 98.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 123.805 0.842 . . . . 0.0 112.399 175.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.511 HG21 ' HA ' ' A' ' 24' ' ' TYR . 3.1 m -63.87 -45.74 88.05 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 120.155 1.343 . . . . 0.0 112.581 171.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 17.8 mt -64.15 -48.51 75.74 Favored 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 123.033 0.533 . . . . 0.0 109.659 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -48.86 -44.45 39.71 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.869 0.868 . . . . 0.0 113.077 171.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.15 -38.5 56.66 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -116.3 -34.83 4.51 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -168.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.1 tt -72.94 125.4 91.13 Favored Pre-proline 0 CA--C 1.544 0.742 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 172.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -70.97 71.93 2.09 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.265 2.644 . . . . 0.0 111.054 171.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.28 11.63 0.22 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.889 2.076 . . . . 0.0 113.403 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 49.53 21.37 0.6 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.354 2.262 . . . . 0.0 113.811 -175.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.7 p90 36.91 27.04 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.468 2.307 . . . . 0.0 115.541 -165.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.86 155.39 91.77 Favored Pre-proline 0 N--CA 1.48 1.03 0 O-C-N 120.696 -1.252 . . . . 0.0 111.69 -173.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -64.88 -46.99 5.5 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.158 1.905 . . . . 0.0 110.951 173.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.22 98.96 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 118.897 -0.573 . . . . 0.0 112.135 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 88.0 t -65.75 -41.96 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-N 120.261 1.392 . . . . 0.0 112.348 -177.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -37.51 87.77 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.447 1.021 . . . . 0.0 112.163 173.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.47 -55.35 36.19 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 117.91 0.323 . . . . 0.0 110.578 171.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.7 m -56.91 -48.3 78.55 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.572 1.549 . . . . 0.0 112.693 -177.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 75.5 mt -64.62 -43.94 92.11 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.493 0.588 . . . . 0.0 111.949 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.52 -54.86 33.67 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 119.553 1.069 . . . . 0.0 111.985 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -27.84 67.94 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -66.6 -49.97 64.56 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 118.885 0.766 . . . . 0.0 111.38 169.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.92 -32.81 68.13 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.07 -1.019 . . . . 0.0 111.763 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.82 -32.82 73.63 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 171.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 93.1 p -74.1 -42.52 59.98 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 120.061 -1.649 . . . . 0.0 111.281 170.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 95.0 t -53.52 -50.42 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.036 0.934 . . . . 0.0 110.274 174.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.408 ' CB ' ' CD1' ' A' ' 98' ' ' PHE . 96.6 p -66.01 -45.19 82.45 Favored 'General case' 0 C--O 1.227 -0.108 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 177.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 23.2 m -52.35 -44.39 65.18 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.202 0.91 . . . . 0.0 110.511 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 68.1 t -66.83 -47.81 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 122.992 0.517 . . . . 0.0 112.167 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -19.8 63.16 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 177.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 98.2 m -101.68 -2.63 29.85 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.134 2.174 . . . . 0.0 112.139 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.473 0.708 0 O-C-N 120.584 -1.322 . . . . 0.0 112.65 175.294 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.332 3.5 p . . . . . 0 N--CA 1.515 2.806 0 CA-C-O 116.909 -1.52 . . . . 0.0 112.92 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 m80 21.86 73.16 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 127.874 2.47 . . . . 0.0 114.527 -175.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.69 160.59 11.35 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.881 0.473 . . . . 0.0 111.41 -176.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p -62.75 150.67 86.48 Favored Pre-proline 0 N--CA 1.481 1.097 0 CA-C-O 118.29 -0.862 . . . . 0.0 109.071 168.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -53.09 -36.94 78.62 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.601 2.201 . . . . 0.0 114.336 173.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -64.34 -47.22 80.21 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.631 1.172 . . . . 0.0 112.16 173.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -72.0 -39.38 69.27 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.267 -0.896 . . . . 0.0 111.813 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.5 -45.3 73.24 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.677 1.191 . . . . 0.0 111.048 168.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.3 t -57.27 -51.64 68.53 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.505 1.048 . . . . 0.0 111.069 171.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.02 -50.09 64.94 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.913 0.885 . . . . 0.0 113.382 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.456 HG23 ' CE1' ' B' ' 130' ' ' TYR . 7.2 p -69.24 -57.51 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.431 -0.793 . . . . 0.0 112.369 174.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -68.5 -36.35 78.78 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 120.936 -1.103 . . . . 0.0 111.97 -167.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.63 -37.57 85.12 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.121 0.873 . . . . 0.0 112.035 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.53 -41.68 83.96 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.38 -0.825 . . . . 0.0 110.425 173.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -18.51 19.61 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 166.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.03 -34.31 42.47 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.966 1.27 . . . . 0.0 113.787 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.01 -15.15 19.17 Favored 'General case' 0 N--CA 1.483 1.225 0 CA-C-N 118.816 1.308 . . . . 0.0 114.211 174.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.51 142.34 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.527 1.131 . . . . 0.0 112.853 -177.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -91.53 90.45 7.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.076 0.95 . . . . 0.0 108.811 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.38 -38.68 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -167.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -62.1 -47.7 83.45 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 118.74 0.7 . . . . 0.0 112.686 173.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -82.79 -51.15 7.93 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 122.756 0.422 . . . . 0.0 110.967 -169.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.8 -32.56 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.45 -0.781 . . . . 0.0 111.67 172.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.21 -47.43 23.38 Favored Glycine 0 C--N 1.339 0.734 0 CA-C-N 119.216 0.917 . . . . 0.0 111.286 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.87 -38.46 95.39 Favored Glycine 0 N--CA 1.465 0.627 0 CA-C-N 117.807 0.804 . . . . 0.0 113.007 170.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -64.69 -42.32 95.4 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 117.815 -1.088 . . . . 0.0 111.832 170.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.591 ' HA ' HG11 ' B' ' 113' ' ' VAL . . . -65.34 -53.0 50.06 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 121.801 2.091 . . . . 0.0 112.657 178.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 tp -69.31 -34.01 74.04 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 118.503 -0.76 . . . . 0.0 111.245 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.94 -48.93 71.26 Favored Glycine 0 N--CA 1.466 0.675 0 CA-C-N 119.228 0.922 . . . . 0.0 112.082 171.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.408 ' HB3' HG13 ' B' ' 109' ' ' VAL . 0.4 OUTLIER -52.06 -37.57 54.16 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 118.776 1.288 . . . . 0.0 111.474 173.649 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' B' ' 106' ' ' LEU . 23.4 tp -52.46 -45.62 66.17 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.359 1.436 . . . . 0.0 112.216 174.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.663 HD13 HD12 ' B' ' 48' ' ' LEU . 6.9 mt -71.89 -32.78 67.77 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.143 1.777 . . . . 0.0 111.479 -176.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.95 -48.06 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 122.866 0.466 . . . . 0.0 111.633 174.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.27 -43.16 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.745 1.618 . . . . 0.0 110.62 -176.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -123.08 98.87 41.51 Favored Pre-proline 0 CA--C 1.537 0.451 0 C-N-CA 124.29 1.036 . . . . 0.0 110.992 174.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -67.34 -16.54 48.27 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.437 2.091 . . . . 0.0 113.106 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.28 -45.27 68.83 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.652 1.114 . . . . 0.0 110.753 170.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -14.47 9.25 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.485 1.514 . . . . 0.0 113.469 -176.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLN . . . . . 0.415 ' HG3' HD21 ' B' ' 48' ' ' LEU . 7.4 tt0 -53.15 -23.62 8.69 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.525 1.13 . . . . 0.0 113.531 170.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -39.49 64.74 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 121.574 1.988 . . . . 0.0 112.199 174.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -83.64 10.46 9.17 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 0.463 ' HB2' HD22 ' B' ' 48' ' ' LEU . 0.4 OUTLIER -61.04 -15.29 30.58 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 171.45 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.03 -27.49 19.83 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 118.972 0.805 . . . . 0.0 112.83 172.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -84.44 -41.69 16.38 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.987 0.915 . . . . 0.0 113.367 167.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -68.86 -26.67 65.25 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.45 -43.87 1.88 Allowed Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.523 1.535 . . . . 0.0 116.241 168.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -96.86 -111.87 0.14 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.644 1.222 . . . . 0.0 109.199 171.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.663 HD12 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER 58.19 -8.88 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -177.383 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.21 -15.39 2.3 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.799 2.04 . . . . 0.0 116.147 -169.156 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' THR . . . . . 0.481 ' H ' ' HB3' ' B' ' 53' ' ' ALA . 18.9 p -139.88 162.08 52.56 Favored Pre-proline 0 N--CA 1.47 0.541 0 C-N-CA 127.351 2.261 . . . . 0.0 109.196 173.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.45 -43.66 55.6 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.726 2.284 . . . . 0.0 113.23 173.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.49 -43.01 99.85 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.451 -0.78 . . . . 0.0 111.829 174.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.481 ' HB3' ' H ' ' B' ' 50' ' ' THR . . . -57.92 -45.05 87.12 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.089 175.365 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.5 t -50.21 -47.46 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 CA-C-N 119.91 1.232 . . . . 0.0 112.549 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mmt -75.47 -27.86 59.03 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -174.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.69 -6.51 56.26 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.284 0.945 . . . . 0.0 115.164 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.6 112.37 5.17 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 125.929 1.692 . . . . 0.0 112.447 -173.268 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.94 -41.04 56.87 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.06 2.507 . . . . 0.0 113.625 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -63.4 -36.63 84.36 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.07 -1.019 . . . . 0.0 112.576 174.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 77.8 t -65.88 -36.7 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-N 120.284 1.402 . . . . 0.0 111.899 173.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -63.4 -51.45 65.77 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.211 0.914 . . . . 0.0 111.87 170.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.26 -44.13 97.24 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.24 1.016 . . . . 0.0 113.654 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -71.21 -34.57 70.97 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.272 1.429 . . . . 0.0 111.025 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.53 -43.49 98.79 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.724 1.63 . . . . 0.0 113.127 169.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -56.26 -45.19 80.17 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.203 1.002 . . . . 0.0 111.609 166.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.12 -51.87 67.77 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.216 0.916 . . . . 0.0 112.701 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 10.0 m -58.75 -40.02 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 119.58 1.082 . . . . 0.0 111.611 175.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 tt -71.6 -40.21 69.99 Favored 'General case' 0 C--O 1.223 -0.291 0 O-C-N 121.02 -1.05 . . . . 0.0 112.772 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.16 -40.68 52.39 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.381 0.991 . . . . 0.0 111.394 171.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.23 -49.32 72.39 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 169.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -57.56 -37.31 72.91 Favored 'General case' 0 CA--C 1.556 1.202 0 O-C-N 119.936 -1.728 . . . . 0.0 113.042 174.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 75.1 m -67.07 -46.13 75.23 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.715 1.606 . . . . 0.0 113.355 172.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -57.07 -27.39 61.69 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.844 0.747 . . . . 0.0 111.808 171.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.18 -60.73 7.16 Favored Glycine 0 C--N 1.34 0.787 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 168.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.62 -24.29 55.64 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.82 -15.43 41.99 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.702 1.601 . . . . 0.0 114.597 173.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -149.73 36.68 0.71 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -170.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 88.9 mt -56.66 -18.01 10.78 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.323 1.449 . . . . 0.0 114.672 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -55.01 -38.29 67.71 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.569 1.548 . . . . 0.0 113.496 177.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.9 87.25 0.93 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.587 1.155 . . . . 0.0 111.144 176.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.29 -44.43 96.54 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.778 -0.576 . . . . 0.0 111.735 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -61.19 -15.75 37.43 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 120.574 -1.329 . . . . 0.0 113.864 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.61 -14.59 49.67 Favored Glycine 0 CA--C 1.541 1.719 0 C-N-CA 125.99 1.757 . . . . 0.0 115.647 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.9 m -112.94 -26.59 8.44 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 118.861 1.33 . . . . 0.0 112.306 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -95.02 4.53 53.67 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.665 1.186 . . . . 0.0 113.23 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.1 -38.87 71.32 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.738 1.385 . . . . 0.0 114.738 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 7.2 p -67.28 -35.44 79.48 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.15 -0.969 . . . . 0.0 112.223 173.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 35.3 mt -77.48 -33.39 54.56 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 118.852 -0.594 . . . . 0.0 112.394 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 99.4 p -70.48 -38.4 74.38 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 120.632 1.56 . . . . 0.0 111.853 173.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.64 -47.03 87.2 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.719 -0.613 . . . . 0.0 112.041 166.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 46.9 tp -55.94 -53.81 52.38 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.924 -1.11 . . . . 0.0 111.646 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -80.91 24.45 0.5 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.708 1.203 . . . . 0.0 113.796 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 42.5 t -145.88 -63.0 0.32 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.646 0.778 . . . . 0.0 112.497 169.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.53 -36.19 78.49 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.679 -1.263 . . . . 0.0 113.102 -177.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.28 -35.6 12.36 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 174.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 17.1 mt -136.68 69.26 1.42 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.294 1.838 . . . . 0.0 109.943 -171.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -69.84 26.37 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 7.5 p -43.92 150.4 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 126.91 2.084 . . . . 0.0 111.514 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.28 128.46 1.71 Allowed Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 123.448 0.699 . . . . 0.0 112.14 171.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -64.59 -46.22 7.5 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 121.405 1.404 . . . . 0.0 110.943 -172.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.56 -40.26 0.84 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.42 1.888 . . . . 0.0 115.539 -177.003 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -56.79 -27.0 59.07 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' PHE . . . . . 0.415 ' CD2' ' HB1' ' B' ' 138' ' ' ALA . 0.0 OUTLIER -55.97 -38.38 70.31 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 120.343 1.429 . . . . 0.0 112.848 170.705 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -86.51 -37.96 17.71 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 125.1 1.36 . . . . 0.0 109.756 -176.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 94.6 mt -59.12 -46.82 87.35 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.901 170.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.428 ' HA ' HD13 ' B' ' 31' ' ' LEU . 5.0 tt -57.74 -45.12 86.26 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.415 1.007 . . . . 0.0 111.484 172.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -56.87 -53.84 41.2 Favored Glycine 0 CA--C 1.532 1.132 0 N-CA-C 115.087 0.795 . . . . 0.0 115.087 172.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.38 -23.81 63.78 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 120.783 -1.422 . . . . 0.0 112.189 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.408 HG13 ' HB3' ' B' ' 30' ' ' ARG . 23.7 t -68.56 -49.02 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 O-C-N 120.96 -1.087 . . . . 0.0 111.09 163.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 48.1 tp -54.43 -48.48 71.62 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 123.789 0.836 . . . . 0.0 110.466 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.556 HG12 ' HB3' ' B' ' 130' ' ' TYR . 3.1 m -60.94 -30.8 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 119.001 0.818 . . . . 0.0 112.278 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 9.1 t -76.59 -41.65 45.5 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.96 0.904 . . . . 0.0 112.253 -174.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' VAL . . . . . 0.591 HG11 ' HA ' ' B' ' 27' ' ' ALA . 0.1 OUTLIER -62.35 -39.9 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 O-C-N 120.907 -1.121 . . . . 0.0 112.236 172.75 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.65 -44.69 95.63 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.562 1.528 . . . . 0.0 109.193 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.08 -31.25 65.05 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 171.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -50.6 28.02 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.301 0.955 . . . . 0.0 112.682 173.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -74.71 -20.95 59.64 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -175.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -125.25 42.2 3.34 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.778 2.031 . . . . 0.0 110.903 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -53.5 -29.56 39.68 Favored Glycine 0 N--CA 1.474 1.207 0 C-N-CA 124.918 1.247 . . . . 0.0 115.829 -177.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -80.46 -2.23 44.99 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.914 1.286 . . . . 0.0 114.005 174.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -138.2 2.75 2.34 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.066 2.146 . . . . 0.0 113.361 -170.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -71.43 19.79 0.06 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 117.328 2.344 . . . . 0.0 117.328 -168.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 27.0 p -32.58 144.56 0.12 Allowed Pre-proline 0 N--CA 1.486 1.364 0 C-N-CA 127.827 2.451 . . . . 0.0 115.683 -157.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -42.85 -47.17 8.27 Favored 'Trans proline' 0 CA--C 1.552 1.383 0 C-N-CA 122.237 1.958 . . . . 0.0 115.753 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.83 -22.22 23.86 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.328 2.019 . . . . 0.0 115.822 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 1.1 t -51.14 -53.05 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 CA-C-N 121.705 2.048 . . . . 0.0 110.222 170.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -43.99 97.51 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.328 -0.858 . . . . 0.0 111.989 -178.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.32 96.99 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 121.817 -0.552 . . . . 0.0 112.466 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.55 81.25 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.2 0.6 . . . . 0.0 111.045 174.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.556 ' HB3' HG12 ' B' ' 111' ' ' VAL . 43.0 m-85 -56.52 -49.56 74.39 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 118.485 -0.769 . . . . 0.0 111.702 170.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -54.39 -37.04 64.56 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.722 1.147 . . . . 0.0 113.017 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -71.31 -41.7 69.57 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 120.642 1.565 . . . . 0.0 114.569 177.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 2.9 p -66.22 -43.01 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 CA-C-N 120.64 1.564 . . . . 0.0 111.113 171.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 28.6 t -58.63 -48.55 85.4 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 C-N-CA 124.464 1.106 . . . . 0.0 111.029 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.08 97.71 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.222 1.009 . . . . 0.0 112.158 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.17 -48.39 83.19 Favored Glycine 0 N--CA 1.471 0.982 0 O-C-N 121.76 -0.587 . . . . 0.0 112.978 175.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.11 -42.11 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 118.093 0.946 . . . . 0.0 111.127 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 138' ' ' ALA . . . . . 0.415 ' HB1' ' CD2' ' B' ' 103' ' ' PHE . . . -58.11 -47.02 84.55 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.341 1.056 . . . . 0.0 110.966 174.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -59.64 -37.79 79.62 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.242 -0.911 . . . . 0.0 112.604 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.64 96.53 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.741 0.701 . . . . 0.0 111.879 171.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.55 -39.78 92.34 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.892 1.223 . . . . 0.0 112.224 174.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.01 -10.01 50.23 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 172.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -60.9 -26.79 67.69 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 120.585 1.539 . . . . 0.0 114.204 -174.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -84.19 -13.34 53.03 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.212 1.005 . . . . 0.0 113.583 173.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 0.983 0 C-N-CA 125.984 1.714 . . . . 0.0 111.928 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.514 2.747 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -137.73 -177.23 4.71 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 121.552 1.978 . . . . 0.0 112.919 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.01 -163.4 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 126.182 1.793 . . . . 0.0 112.01 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -102.55 -38.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 123.159 2.573 . . . . 0.0 115.135 169.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.63 -32.21 71.92 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.633 -1.292 . . . . 0.0 112.77 -174.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -59.31 -48.65 80.84 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 125.051 1.341 . . . . 0.0 112.63 166.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -55.65 -49.07 73.86 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.042 0.837 . . . . 0.0 109.813 174.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 80.2 m -55.5 -50.12 70.77 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.51 0.724 . . . . 0.0 112.357 176.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -61.61 -39.57 91.73 Favored 'General case' 0 C--O 1.224 -0.268 0 O-C-N 121.659 -0.65 . . . . 0.0 112.236 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 41.5 t -65.32 -44.12 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 124.003 0.921 . . . . 0.0 111.402 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -61.63 -46.22 90.72 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.5 1.045 . . . . 0.0 111.389 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.68 -52.66 64.54 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.26 0.624 . . . . 0.0 111.365 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.54 -51.62 68.72 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.54 1.136 . . . . 0.0 111.787 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -66.37 -27.17 67.66 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.255 -0.903 . . . . 0.0 113.108 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.95 -41.48 94.33 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.339 0.971 . . . . 0.0 112.936 167.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -69.71 -35.0 74.68 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 118.388 1.094 . . . . 0.0 111.792 171.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' C' ' 21' ' ' ALA . 87.0 t -65.83 -26.97 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 125.008 1.323 . . . . 0.0 113.706 177.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -35.89 123.0 0.69 Allowed Glycine 0 CA--C 1.54 1.64 0 C-N-CA 125.196 1.379 . . . . 0.0 114.412 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 78.9 -39.29 0.23 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 129.163 2.985 . . . . 0.0 114.611 -173.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -75.37 -17.41 60.23 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.205 1.002 . . . . 0.0 113.608 175.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -38.48 -54.47 1.49 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 127.395 2.278 . . . . 0.0 114.501 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.38 -32.48 64.99 Favored Glycine 0 N--CA 1.466 0.634 0 O-C-N 121.755 -0.591 . . . . 0.0 114.106 -178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -59.31 -45.98 89.82 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.995 0.918 . . . . 0.0 109.489 170.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' TYR . . . . . 0.515 ' HA ' HG21 ' C' ' 108' ' ' THR . 13.0 m-30 -65.93 -39.88 90.9 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.62 -46.98 93.39 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 123.182 0.42 . . . . 0.0 112.671 171.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.44 -45.77 90.64 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 117.956 0.878 . . . . 0.0 112.076 177.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.09 -41.15 97.9 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.197 0.599 . . . . 0.0 112.326 174.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.12 -45.87 89.96 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.87 -0.519 . . . . 0.0 112.15 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 74.9 mt -56.36 -54.21 48.19 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.147 0.979 . . . . 0.0 110.996 175.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -58.27 -40.79 82.82 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.881 0.472 . . . . 0.0 111.9 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.5 ttm105 -61.58 -35.17 77.05 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 117.337 -1.316 . . . . 0.0 113.017 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 13.3 mtm -61.29 -45.98 92.23 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 120.434 1.47 . . . . 0.0 111.486 171.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -66.45 -15.8 63.61 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -111.27 -22.73 11.22 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.744 1.217 . . . . 0.0 113.336 174.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 82.4 p -80.08 -36.47 35.45 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.894 1.225 . . . . 0.0 113.53 172.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -130.51 80.33 70.43 Favored Pre-proline 0 CA--C 1.541 0.63 0 C-N-CA 127.574 2.35 . . . . 0.0 109.354 -175.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.39 -17.09 3.85 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 123.755 2.97 . . . . 0.0 115.686 175.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 5.6 p -54.61 -31.37 57.01 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.269 1.427 . . . . 0.0 113.987 166.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' THR . . . . . 0.452 HG22 ' ND2' ' C' ' 97' ' ' ASN . 12.4 p -63.09 -39.1 93.71 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.779 1.627 . . . . 0.0 111.572 174.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -56.23 -37.54 69.87 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.735 1.614 . . . . 0.0 112.703 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.25 -24.69 66.56 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 177.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -67.73 -12.54 60.75 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.272 -0.893 . . . . 0.0 112.509 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 32.46 57.5 1.32 Allowed Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 127.208 2.203 . . . . 0.0 112.906 -177.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -77.91 64.07 8.2 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 124.243 3.295 . . . . 0.0 112.625 -162.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.29 3.4 p-80 49.45 20.67 0.49 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 128.734 2.814 . . . . 0.0 115.957 -168.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -111.87 149.24 32.12 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.181 1.392 . . . . 0.0 112.075 -173.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.34 -18.53 6.75 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.928 1.691 . . . . 0.0 113.34 -173.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt 51.72 38.08 21.94 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.634 1.574 . . . . 0.0 113.754 175.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 66.4 p -67.28 22.49 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 127.977 2.511 . . . . 0.0 117.003 -172.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 m80 73.48 114.16 0.06 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 128.653 2.781 . . . . 0.0 112.832 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.97 25.64 70.9 Favored Glycine 0 CA--C 1.539 1.583 0 O-C-N 121.535 -0.728 . . . . 0.0 113.988 -174.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 88.0 p -64.96 142.06 58.57 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.382 1.073 . . . . 0.0 113.365 -169.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.94 -33.23 75.24 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.549 -0.719 . . . . 0.0 112.636 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.5 -40.95 98.41 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 95.7 t -71.13 -44.4 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 CA-C-N 119.863 1.21 . . . . 0.0 111.326 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.9 -44.52 95.88 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 118.732 0.696 . . . . 0.0 111.973 174.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.22 -51.64 57.61 Favored Glycine 0 N--CA 1.47 0.962 0 C-N-CA 124.042 0.829 . . . . 0.0 112.32 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -58.65 -41.51 86.21 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.654 -0.91 . . . . 0.0 111.724 174.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.84 -49.68 46.97 Favored Glycine 0 CA--C 1.532 1.117 0 O-C-N 121.537 -0.727 . . . . 0.0 113.277 170.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -44.6 87.39 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.355 1.078 . . . . 0.0 112.159 173.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -59.43 -54.19 49.5 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 119.499 1.045 . . . . 0.0 111.939 175.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 86.3 t -53.77 -42.0 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.112 0.965 . . . . 0.0 110.751 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 63' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -65.8 -45.62 81.69 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 176.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -61.6 -35.59 78.28 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 120.098 1.317 . . . . 0.0 112.387 174.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.59 98.47 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.281 -0.887 . . . . 0.0 112.382 169.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.0 -43.21 86.52 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 118.92 -0.562 . . . . 0.0 111.334 170.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 21.1 m -59.12 -45.57 90.56 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.928 1.24 . . . . 0.0 111.877 173.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -34.39 78.3 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.575 1.079 . . . . 0.0 111.824 177.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.65 -48.77 79.32 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.033 169.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 97.1 t -56.79 -45.53 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 120.091 1.314 . . . . 0.0 111.463 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.59 -25.29 67.24 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -141.11 31.65 1.76 Allowed 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 124.236 1.014 . . . . 0.0 112.74 -167.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 6.3 p -61.24 -16.19 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 119.352 -2.093 . . . . 0.0 115.879 -162.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -102.17 -0.27 33.47 Favored 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 172.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -130.82 -0.67 4.25 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 128.216 2.606 . . . . 0.0 113.301 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -60.77 -15.86 0.31 Allowed Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 117.357 2.354 . . . . 0.0 117.357 -177.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -47.51 -29.43 10.31 Favored 'Trans proline' 0 C--N 1.358 1.046 0 CA-C-N 123.667 2.345 . . . . 0.0 115.69 163.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.48 -40.12 15.61 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.231 0.923 . . . . 0.0 113.14 170.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.73 -24.81 61.03 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 80.1 mt -97.35 2.65 50.83 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.975 1.31 . . . . 0.0 112.625 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -53.84 -40.86 66.83 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 120.066 1.303 . . . . 0.0 113.932 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.73 -15.47 29.64 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 175.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mt -109.41 -31.27 7.59 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.399 1.88 . . . . 0.0 111.092 -172.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 14.6 m -56.19 -42.46 77.18 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 119.255 -0.402 . . . . 0.0 110.353 153.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -61.97 -32.09 72.5 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.573 1.079 . . . . 0.0 112.968 172.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.2 -66.1 0.56 Allowed 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.052 1.297 . . . . 0.0 108.716 162.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -61.11 -10.12 5.75 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 -173.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.9 -11.7 7.61 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.667 1.587 . . . . 0.0 114.715 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -134.69 -1.51 2.76 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 120.065 1.302 . . . . 0.0 114.359 175.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.81 98.62 2.21 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.822 1.249 . . . . 0.0 112.092 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 7.6 mt 69.93 81.22 0.17 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.349 1.459 . . . . 0.0 110.942 -175.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -63.63 -6.03 4.81 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 116.148 1.907 . . . . 0.0 116.148 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 24.7 t -1.58 114.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 130.001 3.32 . . . . 0.0 115.216 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -34.81 124.09 0.55 Allowed Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 124.976 1.311 . . . . 0.0 112.783 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -43.0 -13.16 0.04 OUTLIER 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 125.0 3.8 . . . . 0.0 116.965 168.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 5.4 p -42.28 -40.63 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 121.138 1.79 . . . . 0.0 112.808 161.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 97' ' ' ASN . . . . . 0.452 ' ND2' HG22 ' C' ' 39' ' ' THR . 27.0 m120 -73.68 -25.52 60.29 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 117.67 -1.157 . . . . 0.0 113.018 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 98' ' ' PHE . . . . . 0.461 ' C ' ' CD1' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -57.82 -52.62 64.7 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 120.124 1.329 . . . . 0.0 109.038 166.868 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -55.9 -38.07 69.71 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.011 0.924 . . . . 0.0 111.623 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 78.2 mt -69.7 -47.86 61.67 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 119.011 -0.519 . . . . 0.0 111.388 175.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.84 -42.94 98.76 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.332 0.969 . . . . 0.0 112.274 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 82.0 p -68.19 -45.95 72.01 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.211 0.914 . . . . 0.0 112.179 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -64.59 -44.44 90.65 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.514 1.052 . . . . 0.0 111.86 172.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 62.9 m -62.09 -38.65 89.65 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.186 -0.946 . . . . 0.0 112.446 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 22.1 mt -59.74 -54.8 42.08 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.705 1.139 . . . . 0.0 110.768 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 46.2 mt -49.45 -43.58 45.05 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.814 1.188 . . . . 0.0 111.746 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.91 -42.82 97.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 123.776 0.83 . . . . 0.0 112.321 175.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 108' ' ' THR . . . . . 0.515 HG21 ' HA ' ' C' ' 24' ' ' TYR . 3.0 m -63.79 -45.89 87.64 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.275 1.398 . . . . 0.0 112.482 171.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.11 -48.48 75.93 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.925 -0.56 . . . . 0.0 109.649 -177.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -48.77 -44.5 38.85 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.97 0.908 . . . . 0.0 113.09 171.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.1 -38.5 56.83 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -116.36 -34.67 4.54 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -168.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 3.1 tt -73.13 125.33 91.03 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 171.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -70.88 71.95 2.04 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.245 2.63 . . . . 0.0 111.128 171.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.23 11.52 0.22 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.832 2.053 . . . . 0.0 113.461 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 49.68 21.23 0.62 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.413 2.285 . . . . 0.0 113.775 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 13.9 p90 36.94 27.08 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.454 2.302 . . . . 0.0 115.572 -165.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.92 155.23 92.25 Favored Pre-proline 0 N--CA 1.479 0.976 0 O-C-N 120.507 -1.37 . . . . 0.0 111.815 -173.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.87 -46.86 5.77 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.076 1.851 . . . . 0.0 110.968 173.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.07 98.93 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 118.939 -0.553 . . . . 0.0 112.092 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 90.4 t -65.94 -41.92 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 120.172 1.351 . . . . 0.0 112.348 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -37.55 87.88 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.351 0.978 . . . . 0.0 112.218 173.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.58 -55.24 37.62 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 117.969 0.349 . . . . 0.0 110.525 171.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 15.8 m -56.97 -48.04 79.33 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.469 1.508 . . . . 0.0 112.74 -177.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.87 -43.94 91.33 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.588 0.631 . . . . 0.0 111.916 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.44 -54.91 33.28 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.548 1.067 . . . . 0.0 112.022 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -27.92 67.96 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -66.42 -49.9 65.21 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.94 0.791 . . . . 0.0 111.442 169.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.15 -32.55 68.29 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.148 -0.97 . . . . 0.0 111.749 174.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.9 -32.91 73.72 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 171.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 93.1 p -74.01 -42.5 60.27 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.125 -1.609 . . . . 0.0 111.301 170.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 94.0 t -53.59 -50.27 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.961 0.904 . . . . 0.0 110.385 173.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 133' ' ' SER . . . . . 0.412 ' CB ' ' CD1' ' C' ' 98' ' ' PHE . 96.1 p -66.17 -45.04 82.31 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 177.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 23.2 m -52.45 -44.38 65.48 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.221 0.919 . . . . 0.0 110.567 175.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.94 -47.53 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 123.012 0.525 . . . . 0.0 112.289 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -19.98 63.19 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 177.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 98.5 m -101.79 -2.56 29.81 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.1 2.16 . . . . 0.0 112.172 177.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 CA--C 1.544 0.745 0 O-C-N 120.569 -1.332 . . . . 0.0 112.601 175.324 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.33 3.6 p . . . . . 0 N--CA 1.516 2.839 0 CA-C-O 116.79 -1.576 . . . . 0.0 112.881 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 m80 21.81 73.17 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 127.841 2.456 . . . . 0.0 114.61 -175.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.51 160.55 10.98 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.953 0.501 . . . . 0.0 111.391 -176.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p -62.81 150.82 86.45 Favored Pre-proline 0 N--CA 1.48 1.049 0 CA-C-O 118.297 -0.859 . . . . 0.0 109.071 168.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -53.32 -36.85 80.03 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 122.687 2.258 . . . . 0.0 114.201 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -64.29 -47.35 79.86 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.66 1.184 . . . . 0.0 112.086 173.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -71.94 -39.56 69.35 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 121.183 -0.948 . . . . 0.0 111.746 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -45.3 72.71 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 117.732 -1.127 . . . . 0.0 111.109 168.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 24.2 t -57.18 -51.77 68.0 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.603 1.092 . . . . 0.0 111.085 171.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.05 -49.96 65.28 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 11' ' ' VAL . . . . . 0.448 HG23 ' CE1' ' D' ' 130' ' ' TYR . 7.3 p -69.37 -57.55 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 121.494 -0.754 . . . . 0.0 112.287 174.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 4.3 m -68.35 -36.38 79.16 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.008 -1.058 . . . . 0.0 111.961 -167.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.68 -37.49 84.86 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.146 0.885 . . . . 0.0 111.992 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.74 -41.64 83.11 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.387 -0.821 . . . . 0.0 110.362 173.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -18.62 19.44 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 166.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.03 -34.08 43.23 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.991 1.281 . . . . 0.0 113.791 174.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.1 -15.24 19.07 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 118.866 1.333 . . . . 0.0 114.189 174.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.61 142.32 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.419 1.088 . . . . 0.0 112.885 -177.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -91.41 90.31 7.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.069 0.948 . . . . 0.0 108.873 177.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.18 -38.76 62.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -167.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -62.17 -47.74 83.15 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.702 0.683 . . . . 0.0 112.562 173.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -82.86 -50.98 8.06 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 122.66 0.384 . . . . 0.0 111.044 -169.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -32.79 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 O-C-N 121.552 -0.718 . . . . 0.0 111.657 172.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.03 -47.32 24.84 Favored Glycine 0 C--N 1.34 0.79 0 CA-C-N 119.18 0.9 . . . . 0.0 111.475 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.0 -38.5 95.61 Favored Glycine 0 N--CA 1.466 0.693 0 CA-C-N 117.774 0.787 . . . . 0.0 112.944 170.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -64.51 -42.49 95.76 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 117.847 -1.073 . . . . 0.0 111.857 170.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 27' ' ' ALA . . . . . 0.588 ' HA ' HG11 ' D' ' 113' ' ' VAL . . . -65.07 -53.15 50.13 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 121.867 2.121 . . . . 0.0 112.693 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.3 -34.05 74.1 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 118.494 -0.765 . . . . 0.0 111.264 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.88 -48.92 71.74 Favored Glycine 0 N--CA 1.465 0.568 0 CA-C-N 119.263 0.938 . . . . 0.0 112.235 171.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 30' ' ' ARG . . . . . 0.404 ' HB3' HG13 ' D' ' 109' ' ' VAL . 0.4 OUTLIER -51.74 -37.68 52.16 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 118.687 1.244 . . . . 0.0 111.591 173.383 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 31' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' D' ' 106' ' ' LEU . 23.4 tp -52.51 -45.63 66.31 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.327 1.421 . . . . 0.0 112.293 175.021 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 32' ' ' LEU . . . . . 0.671 HD13 HD12 ' D' ' 48' ' ' LEU . 6.9 mt -71.83 -32.95 68.06 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.116 1.766 . . . . 0.0 111.395 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.79 -48.06 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 118.29 0.496 . . . . 0.0 111.678 174.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.28 -43.06 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.812 1.645 . . . . 0.0 110.607 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -123.32 99.0 40.59 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 124.255 1.022 . . . . 0.0 110.97 174.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -67.44 -16.4 47.5 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.377 2.051 . . . . 0.0 113.102 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -45.26 69.15 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.608 1.094 . . . . 0.0 110.705 170.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.99 -14.34 9.06 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.56 1.544 . . . . 0.0 113.479 -176.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 39' ' ' GLN . . . . . 0.403 ' HG3' HD21 ' D' ' 48' ' ' LEU . 7.3 tt0 -53.25 -23.63 9.35 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.634 1.174 . . . . 0.0 113.366 170.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -39.63 64.66 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 121.772 2.078 . . . . 0.0 112.112 173.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -83.6 10.36 9.33 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 42' ' ' PHE . . . . . 0.463 ' HB2' HD22 ' D' ' 48' ' ' LEU . 0.4 OUTLIER -61.01 -15.26 29.86 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 171.457 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -52.82 -27.71 19.44 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 119.078 0.854 . . . . 0.0 112.814 172.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -84.37 -41.8 16.36 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.073 0.949 . . . . 0.0 113.268 167.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -69.07 -26.45 64.96 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.39 -43.92 1.87 Allowed Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.488 1.518 . . . . 0.0 116.348 168.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -96.93 -111.93 0.15 Allowed 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.629 1.214 . . . . 0.0 109.097 171.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 48' ' ' LEU . . . . . 0.671 HD12 HD13 ' D' ' 32' ' ' LEU . 0.0 OUTLIER 58.39 -9.0 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 116.069 1.877 . . . . 0.0 116.069 -177.423 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.29 -15.34 2.37 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.799 2.039 . . . . 0.0 116.204 -169.077 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 50' ' ' THR . . . . . 0.491 ' H ' ' HB3' ' D' ' 53' ' ' ALA . 19.3 p -140.0 162.14 51.99 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 127.228 2.211 . . . . 0.0 109.092 173.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.47 -43.62 56.01 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.743 2.295 . . . . 0.0 113.192 173.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.42 -43.08 99.68 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.528 -0.733 . . . . 0.0 111.936 174.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 53' ' ' ALA . . . . . 0.491 ' HB3' ' H ' ' D' ' 50' ' ' THR . . . -57.94 -44.98 87.27 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.071 175.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 38.6 t -50.16 -47.58 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 CA-C-N 119.92 1.236 . . . . 0.0 112.578 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mmt -75.42 -27.8 59.13 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -174.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.75 -6.42 56.24 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.202 0.906 . . . . 0.0 115.205 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.72 112.39 5.25 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 125.88 1.672 . . . . 0.0 112.416 -173.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.91 -41.15 56.21 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.133 2.556 . . . . 0.0 113.611 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -63.4 -36.56 84.13 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.976 -1.077 . . . . 0.0 112.553 174.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.96 -36.73 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 CA-C-N 120.408 1.458 . . . . 0.0 111.813 173.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -63.43 -51.38 65.97 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 119.303 0.956 . . . . 0.0 111.917 170.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.55 96.48 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.45 1.1 . . . . 0.0 113.612 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -70.97 -34.52 71.5 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.38 1.472 . . . . 0.0 111.076 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.59 -43.59 98.76 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 125.826 1.679 . . . . 0.0 113.051 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -56.31 -44.75 80.21 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.277 1.039 . . . . 0.0 111.675 166.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -52.11 66.64 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.261 0.937 . . . . 0.0 112.572 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 9.5 m -58.75 -39.87 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.681 1.128 . . . . 0.0 111.615 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 tt -71.65 -40.33 69.74 Favored 'General case' 0 C--O 1.222 -0.36 0 O-C-N 120.959 -1.088 . . . . 0.0 112.704 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.98 -40.61 50.93 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 124.35 0.976 . . . . 0.0 111.498 171.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.28 -49.46 71.76 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 169.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -57.6 -37.24 72.91 Favored 'General case' 0 CA--C 1.556 1.206 0 O-C-N 119.85 -1.781 . . . . 0.0 113.046 174.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 75.3 m -66.93 -46.26 75.33 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.777 1.631 . . . . 0.0 113.483 172.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -56.9 -27.49 60.8 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.891 0.769 . . . . 0.0 111.86 171.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.24 -60.78 7.07 Favored Glycine 0 C--N 1.34 0.768 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 168.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.62 -24.09 54.59 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.92 -15.46 41.59 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.733 1.613 . . . . 0.0 114.569 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -149.64 36.51 0.72 Allowed 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -170.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 89.0 mt -56.55 -18.11 10.67 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.429 1.492 . . . . 0.0 114.755 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -54.89 -38.35 67.44 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.627 1.571 . . . . 0.0 113.511 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.89 87.25 0.93 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.632 1.173 . . . . 0.0 111.158 176.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.47 -44.32 96.67 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.705 -0.622 . . . . 0.0 111.7 175.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -61.08 -15.9 37.93 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 120.557 -1.339 . . . . 0.0 113.82 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.66 -14.46 49.98 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 126.008 1.766 . . . . 0.0 115.637 176.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.9 m -113.09 -26.38 8.48 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 118.851 1.326 . . . . 0.0 112.403 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -95.23 4.75 53.2 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.563 1.145 . . . . 0.0 113.122 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.23 -38.91 71.73 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 7.1 p -67.22 -35.45 79.6 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.186 -0.947 . . . . 0.0 112.223 173.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 35.8 mt -77.39 -33.54 55.08 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 118.963 -0.541 . . . . 0.0 112.374 176.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 99.5 p -70.43 -38.54 74.57 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 120.491 1.496 . . . . 0.0 111.723 173.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.47 -47.2 86.42 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.031 0.533 . . . . 0.0 112.078 166.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 47.1 tp -55.79 -53.78 52.5 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 120.908 -1.12 . . . . 0.0 111.747 175.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -80.95 24.43 0.5 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.638 1.175 . . . . 0.0 113.831 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 42.5 t -145.73 -63.1 0.33 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.615 0.766 . . . . 0.0 112.46 169.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.56 -36.22 78.47 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.817 -1.177 . . . . 0.0 113.111 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.24 -35.5 12.43 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 174.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 17.1 mt -136.7 69.15 1.42 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.329 1.852 . . . . 0.0 109.986 -172.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -69.68 26.08 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.1 0 O-C-N 120.714 -1.241 . . . . 0.0 114.343 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 7.4 p -43.79 150.37 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 126.944 2.098 . . . . 0.0 111.568 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.34 128.38 1.74 Allowed Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 123.535 0.734 . . . . 0.0 112.155 171.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.57 -46.07 7.8 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 121.363 1.375 . . . . 0.0 110.973 -172.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.67 -40.04 0.85 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.381 1.872 . . . . 0.0 115.66 -177.006 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -56.91 -26.95 60.24 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 103' ' ' PHE . . . . . 0.415 ' CD2' ' HB1' ' D' ' 138' ' ' ALA . 0.0 OUTLIER -56.19 -38.27 70.73 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 120.311 1.414 . . . . 0.0 112.907 170.828 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -86.47 -38.05 17.68 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 125.244 1.418 . . . . 0.0 109.733 -176.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.27 -46.6 88.09 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.906 170.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 106' ' ' LEU . . . . . 0.423 ' HA ' HD13 ' D' ' 31' ' ' LEU . 5.0 tt -57.74 -45.15 86.22 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.408 1.004 . . . . 0.0 111.517 172.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.02 -53.64 42.98 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 115.029 0.772 . . . . 0.0 115.029 172.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.42 -23.95 63.77 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.668 -1.489 . . . . 0.0 112.195 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 109' ' ' VAL . . . . . 0.404 HG13 ' HB3' ' D' ' 30' ' ' ARG . 23.5 t -68.68 -48.82 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 121.037 -1.039 . . . . 0.0 111.087 163.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 48.5 tp -54.51 -48.44 71.91 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 123.737 0.815 . . . . 0.0 110.445 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 111' ' ' VAL . . . . . 0.549 HG12 ' HB3' ' D' ' 130' ' ' TYR . 3.1 m -60.85 -30.89 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 119.068 0.849 . . . . 0.0 112.113 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 9.2 t -76.66 -41.61 44.97 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.003 0.921 . . . . 0.0 112.305 -174.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 113' ' ' VAL . . . . . 0.588 HG11 ' HA ' ' D' ' 27' ' ' ALA . 0.1 OUTLIER -62.35 -40.06 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 O-C-N 120.952 -1.093 . . . . 0.0 112.101 172.791 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -44.87 95.41 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.712 1.597 . . . . 0.0 109.14 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.21 -30.78 64.85 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 171.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.26 -50.43 27.3 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.29 0.95 . . . . 0.0 112.576 173.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -74.81 -20.88 59.6 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.323 0.861 . . . . 0.0 113.323 -175.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -125.32 42.34 3.31 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.736 2.015 . . . . 0.0 110.857 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -53.59 -29.46 40.13 Favored Glycine 0 N--CA 1.476 1.327 0 C-N-CA 124.81 1.195 . . . . 0.0 115.828 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -80.39 -2.25 44.78 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.828 1.251 . . . . 0.0 114.081 174.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -138.11 2.69 2.35 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 127.061 2.145 . . . . 0.0 113.294 -170.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -71.55 20.13 0.06 Allowed 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -168.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 26.9 p -32.69 144.39 0.13 Allowed Pre-proline 0 N--CA 1.487 1.395 0 C-N-CA 127.692 2.397 . . . . 0.0 115.737 -158.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -42.89 -46.88 8.5 Favored 'Trans proline' 0 CA--C 1.55 1.29 0 C-N-CA 122.08 1.854 . . . . 0.0 115.864 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.76 -22.51 23.71 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.397 2.065 . . . . 0.0 115.774 173.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 1.1 t -51.14 -52.9 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 121.647 2.021 . . . . 0.0 110.337 170.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -43.99 97.47 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 121.366 -0.834 . . . . 0.0 112.022 -178.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.35 97.07 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 121.75 -0.594 . . . . 0.0 112.346 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.67 80.77 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.263 0.625 . . . . 0.0 110.905 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 130' ' ' TYR . . . . . 0.549 ' HB3' HG12 ' D' ' 111' ' ' VAL . 42.8 m-85 -56.6 -49.33 75.26 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 118.469 -0.777 . . . . 0.0 111.73 170.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -54.4 -37.18 64.77 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.741 1.155 . . . . 0.0 112.966 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -71.24 -41.81 69.67 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.613 1.551 . . . . 0.0 114.523 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 2.8 p -66.22 -42.88 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 CA-C-N 120.587 1.54 . . . . 0.0 111.117 171.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 29.0 t -58.66 -48.67 85.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 C-N-CA 124.453 1.101 . . . . 0.0 110.922 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.97 97.9 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.272 1.029 . . . . 0.0 112.138 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.16 -48.57 82.04 Favored Glycine 0 N--CA 1.471 0.974 0 O-C-N 121.741 -0.599 . . . . 0.0 112.882 175.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -42.12 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.118 0.959 . . . . 0.0 111.128 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 138' ' ' ALA . . . . . 0.415 ' HB1' ' CD2' ' D' ' 103' ' ' PHE . . . -58.1 -47.02 84.5 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.301 1.04 . . . . 0.0 111.057 174.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -59.51 -37.92 79.56 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.328 -0.857 . . . . 0.0 112.699 173.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.35 -43.72 96.9 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.657 0.662 . . . . 0.0 111.988 171.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 15.3 mt -61.47 -39.97 92.84 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.714 1.143 . . . . 0.0 112.197 174.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.95 -9.88 48.86 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 172.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -61.01 -26.68 67.78 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.566 1.53 . . . . 0.0 114.179 -174.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -84.3 -13.25 52.95 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.136 0.975 . . . . 0.0 113.524 173.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -95.58 -33.22 12.47 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.016 1.726 . . . . 0.0 111.923 179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.254 1.333 0 C-N-CA 129.832 3.253 . . . . 0.0 117.69 174.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.253 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.684 HD13 HG22 ' A' ' 73' ' ' VAL . 1.4 mp -125.53 -134.54 0.26 Allowed 'General case' 0 CA--C 1.56 1.336 0 CA-C-N 122.68 2.491 . . . . 0.0 110.202 -171.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m 124.9 -30.07 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.98 0 C-N-CA 130.863 3.665 . . . . 0.0 117.099 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -57.87 -173.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 124.814 3.676 . . . . 0.0 116.652 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.24 -28.51 1.95 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.596 1.558 . . . . 0.0 114.587 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -57.4 -45.59 84.38 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.34 -0.85 . . . . 0.0 113.023 169.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.46 -49.65 64.23 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 120.368 1.44 . . . . 0.0 109.869 171.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.1 m -57.5 -43.43 84.19 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.764 0.711 . . . . 0.0 111.166 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -63.67 -37.67 88.24 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.629 0.772 . . . . 0.0 112.478 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.19 -47.26 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 119.645 1.111 . . . . 0.0 111.558 171.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -43.98 94.49 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 119.74 1.155 . . . . 0.0 110.855 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.21 -56.48 21.57 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.997 0.919 . . . . 0.0 110.467 173.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.421 ' HB1' HD11 ' A' ' 113' ' ' LEU . . . -53.65 -52.49 59.78 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.406 1.082 . . . . 0.0 112.053 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -65.9 -27.04 67.9 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 178.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.98 -38.04 95.41 Favored Glycine 0 CA--C 1.535 1.338 0 O-C-N 121.289 -0.882 . . . . 0.0 112.834 168.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -67.51 -40.51 85.13 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 117.906 0.853 . . . . 0.0 111.311 169.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.5 t -60.35 -48.15 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.187 0.995 . . . . 0.0 112.369 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 35.62 -119.14 0.4 Allowed Glycine 0 CA--C 1.539 1.594 0 C-N-CA 125.115 1.34 . . . . 0.0 114.919 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.1 -25.44 66.22 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -68.28 -14.56 63.08 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.296 1.039 . . . . 0.0 113.085 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.536 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -42.14 -48.97 4.87 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.977 1.311 . . . . 0.0 113.951 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.26 -31.86 65.83 Favored Glycine 0 C--N 1.338 0.64 0 CA-C-O 118.784 -1.009 . . . . 0.0 113.639 -177.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.26 -41.77 96.78 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.503 1.152 . . . . 0.0 109.995 172.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -67.17 -39.89 86.53 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 120.851 -1.156 . . . . 0.0 113.048 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.49 -48.24 86.0 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-N 118.741 0.701 . . . . 0.0 112.237 172.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.72 -51.6 68.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.308 1.043 . . . . 0.0 111.715 176.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -25.44 66.4 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.877 0.871 . . . . 0.0 113.008 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.78 -43.48 58.81 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.242 0.928 . . . . 0.0 111.725 174.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.5 mt -58.57 -47.92 82.67 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.743 0.817 . . . . 0.0 111.105 174.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -59.54 -48.33 82.06 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 119.274 -0.394 . . . . 0.0 111.633 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.17 -47.35 68.87 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.959 0.904 . . . . 0.0 112.968 172.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.569 ' HG2' HG21 ' A' ' 39' ' ' THR . 39.6 ttp -58.95 -43.01 91.18 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.517 0.599 . . . . 0.0 111.975 176.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -59.21 -56.11 26.28 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.808 0.731 . . . . 0.0 111.866 175.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.61 -23.98 61.01 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -174.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.8 p -82.6 -29.5 30.14 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.892 1.224 . . . . 0.0 113.612 172.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.49 ' O ' HG22 ' A' ' 39' ' ' THR . 14.4 m-85 -140.44 67.46 31.07 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 126.085 1.754 . . . . 0.0 110.841 -175.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -61.63 -22.01 73.42 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.882 2.388 . . . . 0.0 114.37 -170.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.7 p -55.59 -33.68 64.14 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.348 1.459 . . . . 0.0 113.318 168.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.569 HG21 ' HG2' ' A' ' 32' ' ' MET . 3.9 t -56.07 -30.54 62.14 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.525 1.13 . . . . 0.0 113.567 175.349 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -59.49 -30.91 68.89 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.172 1.389 . . . . 0.0 113.022 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 t -61.19 -24.42 66.3 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.534 ' CE1' ' HA ' ' A' ' 93' ' ' VAL . 0.1 OUTLIER -66.3 -15.23 63.07 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 175.01 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -146.52 84.35 7.8 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 124.285 1.034 . . . . 0.0 111.813 175.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -74.01 44.28 0.96 Allowed 'Trans proline' 0 CA--C 1.554 1.494 1 C-N-CA 125.538 4.159 . . . . 0.0 114.295 -174.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -160.55 91.06 0.89 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.689 2.396 . . . . 0.0 108.404 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -176.67 116.34 0.11 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.046 1.338 . . . . 0.0 110.225 167.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -70.08 121.32 17.24 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.23 -0.919 . . . . 0.0 109.593 164.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.4 mt -106.83 25.73 10.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.592 1.157 . . . . 0.0 112.123 -175.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.8 p -57.0 153.33 11.46 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.649 1.18 . . . . 0.0 112.362 175.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -59.44 122.27 13.56 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.652 -0.655 . . . . 0.0 110.599 176.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.98 18.47 72.28 Favored Glycine 0 CA--C 1.539 1.557 0 CA-C-O 118.931 -0.927 . . . . 0.0 114.923 -175.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -47.18 123.15 5.11 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.081 1.44 . . . . 0.0 113.61 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.68 -18.08 61.74 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.449 1.099 . . . . 0.0 113.639 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -89.57 -41.54 11.94 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.405 1.002 . . . . 0.0 111.702 173.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.1 t -63.12 -38.48 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 O-C-N 121.425 -0.797 . . . . 0.0 111.461 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.79 -41.63 97.97 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 119.355 0.979 . . . . 0.0 113.512 171.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.28 -42.38 50.08 Favored Glycine 0 N--CA 1.474 1.215 0 C-N-CA 124.026 0.822 . . . . 0.0 112.386 -177.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -61.68 -44.22 97.36 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.858 -0.789 . . . . 0.0 110.694 168.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -49.92 -52.78 24.84 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 121.121 -0.987 . . . . 0.0 113.685 172.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -55.5 -35.67 65.84 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 118.858 1.329 . . . . 0.0 113.037 174.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -70.84 -49.75 42.86 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.431 1.093 . . . . 0.0 113.539 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 49.0 t -54.65 -41.13 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 O-C-N 120.923 -1.111 . . . . 0.0 110.729 171.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.536 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -60.51 -49.96 75.45 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 173.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -34.68 75.09 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 120.377 1.444 . . . . 0.0 111.845 177.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.85 97.96 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 170.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.56 -43.11 97.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 118.023 -0.989 . . . . 0.0 111.3 171.228 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.4 m -56.38 -49.02 75.67 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.554 1.524 . . . . 0.0 111.921 170.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -29.76 70.18 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.504 1.502 . . . . 0.0 112.439 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.55 -50.43 51.98 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 118.899 0.772 . . . . 0.0 110.961 170.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.0 t -58.19 -43.41 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 120.059 1.3 . . . . 0.0 111.423 177.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.85 -24.72 67.93 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.018 1.327 . . . . 0.0 113.593 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -138.68 34.02 2.22 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 124.26 1.024 . . . . 0.0 111.142 -173.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.684 HG22 HD13 ' A' ' 2' ' ' LEU . 5.9 p -57.58 -20.5 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 O-C-N 120.719 -1.238 . . . . 0.0 113.712 -167.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -111.38 -0.69 16.23 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.538 1.535 . . . . 0.0 114.379 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.77 23.2 5.0 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 129.405 3.082 . . . . 0.0 110.162 -172.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -109.12 30.02 0.08 OUTLIER Pre-proline 0 CA--C 1.547 0.827 0 C-N-CA 125.895 1.678 . . . . 0.0 114.577 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -64.85 -22.82 63.01 Favored 'Trans proline' 0 C--N 1.355 0.885 0 CA-C-N 123.657 2.342 . . . . 0.0 113.268 -174.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.88 5.94 2.4 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.293 1.437 . . . . 0.0 113.527 175.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -27.06 66.48 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.001 -1.687 . . . . 0.0 113.303 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.6 mt -93.17 5.42 51.56 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.056 0.942 . . . . 0.0 112.01 173.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.6 m -60.85 -36.97 80.51 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 120.14 1.336 . . . . 0.0 113.742 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.5 -32.38 70.22 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.893 1.224 . . . . 0.0 112.291 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.76 -44.64 48.67 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.771 0.828 . . . . 0.0 110.061 173.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.7 t -54.46 -44.05 72.21 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.12 0.418 . . . . 0.0 111.63 172.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -60.14 -42.07 94.07 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.636 -1.29 . . . . 0.0 112.759 175.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tp -59.15 -59.38 5.55 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.646 -1.284 . . . . 0.0 111.4 170.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -69.76 -28.58 65.89 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.235 -0.915 . . . . 0.0 113.275 -173.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.08 -14.11 18.73 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.577 1.551 . . . . 0.0 114.167 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -124.99 -48.86 1.74 Allowed 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.701 1.137 . . . . 0.0 113.518 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -67.87 -34.71 77.21 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 119.897 1.226 . . . . 0.0 112.217 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.9 mt -118.78 -26.17 6.15 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.424 ' HE ' ' HA ' ' D' ' 40' ' ' ARG 0.327 1.3 mtt-85 42.1 53.18 4.35 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 127.806 2.442 . . . . 0.0 114.156 -170.843 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.534 ' HA ' ' CE1' ' A' ' 42' ' ' TYR . 72.1 t -76.84 125.89 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 127.361 2.265 . . . . 0.0 112.317 177.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -51.55 125.55 28.09 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 125.371 1.468 . . . . 0.0 111.052 164.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -39.41 -23.98 0.1 Allowed 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 124.806 3.671 . . . . 0.0 116.775 168.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.5 p -46.11 -42.02 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 120.494 1.497 . . . . 0.0 113.148 171.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -65.39 -33.77 76.73 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.171 -0.955 . . . . 0.0 112.537 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.46 ' C ' ' CD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -55.97 -47.34 77.83 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 119.377 0.99 . . . . 0.0 109.178 171.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -56.09 -43.45 78.04 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.786 0.721 . . . . 0.0 110.356 -176.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.0 mt -63.02 -55.03 29.17 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.085 0.954 . . . . 0.0 111.008 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 23.3 tp -56.17 -43.23 78.18 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.482 0.713 . . . . 0.0 112.606 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.4 t -66.53 -44.45 82.42 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.382 1.473 . . . . 0.0 112.828 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -57.01 -46.98 81.93 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.596 -0.69 . . . . 0.0 111.22 169.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 74.4 m -65.55 -33.89 76.98 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 118.522 -0.751 . . . . 0.0 112.891 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.84 -50.78 70.89 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 119.708 1.14 . . . . 0.0 110.866 167.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.8 mt -53.0 -40.58 63.91 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 120.181 1.355 . . . . 0.0 112.038 175.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.5 t -60.8 -53.23 51.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 118.881 -0.58 . . . . 0.0 112.423 171.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.2 p -68.57 -42.09 78.77 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.601 1.091 . . . . 0.0 112.413 -175.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -55.35 -61.69 2.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.106 -0.949 . . . . 0.0 108.821 170.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -50.87 -38.66 50.74 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.851 1.205 . . . . 0.0 112.937 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.31 -23.26 57.28 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 117.522 2.415 . . . . 0.0 117.522 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -127.02 -41.55 1.79 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.72 1.146 . . . . 0.0 112.929 -173.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.421 HD11 ' HB1' ' A' ' 13' ' ' ALA . 3.7 tt -65.57 123.08 83.56 Favored Pre-proline 0 CA--C 1.545 0.761 0 N-CA-C 107.513 -1.292 . . . . 0.0 107.513 168.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.87 75.65 1.66 Allowed 'Trans proline' 0 CA--C 1.537 0.668 0 C-N-CA 123.057 2.505 . . . . 0.0 110.292 171.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.76 10.17 0.22 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.004 1.322 . . . . 0.0 112.672 174.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 42.67 25.78 0.05 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.751 2.42 . . . . 0.0 113.016 -164.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 21.2 p90 39.01 14.36 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.812 2.445 . . . . 0.0 116.564 -162.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.78 155.32 82.98 Favored Pre-proline 0 N--CA 1.472 0.658 0 CA-C-N 120.001 1.273 . . . . 0.0 111.869 -161.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.441 ' HA ' HG21 ' B' ' 33' ' ' VAL . 63.6 Cg_endo -63.02 -45.8 11.9 Favored 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 121.282 1.321 . . . . 0.0 110.855 175.3 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.79 -24.73 66.99 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.861 -1.149 . . . . 0.0 113.471 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.8 t -86.96 -37.47 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 CA-C-N 119.959 1.254 . . . . 0.0 112.721 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -66.98 -35.46 80.0 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 120.086 -1.634 . . . . 0.0 111.574 169.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.82 -53.51 57.36 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 118.766 -0.635 . . . . 0.0 110.424 169.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.2 p -58.91 -47.0 86.57 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.37 -44.05 95.88 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.511 -0.757 . . . . 0.0 111.774 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.26 -56.48 12.5 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 120.291 1.405 . . . . 0.0 111.855 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -33.53 70.32 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.127 0.421 . . . . 0.0 111.464 -177.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -66.91 -54.5 21.48 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 118.449 -0.786 . . . . 0.0 111.26 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.84 -37.21 70.96 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.692 0.678 . . . . 0.0 111.085 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.24 -30.51 71.15 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 171.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.5 m -81.34 -37.25 28.61 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 120.275 -1.516 . . . . 0.0 112.481 170.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.2 t -52.16 -50.98 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 119.363 0.983 . . . . 0.0 108.796 169.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.0 p -63.75 -48.79 75.56 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-O 117.05 -1.452 . . . . 0.0 113.025 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 52.3 m -51.53 -38.15 52.84 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 121.039 1.745 . . . . 0.0 112.158 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 58.6 t -71.11 -48.92 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 O-C-N 121.065 -1.022 . . . . 0.0 111.184 172.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -3.26 1.97 Allowed 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 44.1 p -126.37 3.46 6.99 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 127.276 2.23 . . . . 0.0 111.267 176.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 CA--C 1.535 0.38 0 C-N-CA 125.156 1.382 . . . . 0.0 111.429 171.753 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.288 2.2 p . . . . . 0 N--CA 1.516 2.841 0 CA-C-O 117.93 -1.033 . . . . 0.0 113.041 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 35.62 80.72 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 127.759 2.424 . . . . 0.0 116.084 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.3 159.06 15.85 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.086 -1.009 . . . . 0.0 111.996 177.287 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.5 141.85 93.65 Favored Pre-proline 0 N--CA 1.478 0.971 0 CA-C-O 117.941 -1.028 . . . . 0.0 109.632 168.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -47.63 -43.85 27.24 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.453 3.435 . . . . 0.0 116.387 -175.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.5 -39.94 94.72 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.372 -0.83 . . . . 0.0 112.487 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.87 -44.25 66.76 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.653 176.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -47.7 65.3 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.531 1.132 . . . . 0.0 111.453 169.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.5 t -55.7 -52.12 64.95 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.858 0.753 . . . . 0.0 110.755 173.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.22 -49.72 73.3 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.532 HG23 ' CZ ' ' B' ' 130' ' ' TYR . 2.6 p -65.69 -55.51 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-N 119.644 1.111 . . . . 0.0 111.78 175.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -68.01 -36.13 79.47 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 118.93 0.786 . . . . 0.0 111.63 -169.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.69 94.42 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.143 0.883 . . . . 0.0 111.741 175.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.44 -39.54 88.94 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.617 -0.677 . . . . 0.0 110.515 173.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -22.03 58.73 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 166.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.87 -37.08 45.38 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.151 0.882 . . . . 0.0 113.162 173.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -88.05 -21.71 24.6 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.021 0.911 . . . . 0.0 113.378 175.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.96 135.56 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 124.613 1.165 . . . . 0.0 111.919 -173.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.13 87.0 7.18 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 90.1 t -53.79 -35.16 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 CA-C-N 119.58 1.082 . . . . 0.0 113.793 -168.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -63.0 -51.08 68.19 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.2 1.0 . . . . 0.0 112.568 172.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -86.14 -45.93 10.9 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.296 -0.878 . . . . 0.0 111.354 -170.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.68 -32.45 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-N 119.142 0.883 . . . . 0.0 110.882 169.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.93 -45.22 17.0 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 119.025 0.829 . . . . 0.0 111.941 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.45 -42.01 99.15 Favored Glycine 0 N--CA 1.468 0.795 0 CA-C-N 118.599 1.2 . . . . 0.0 112.585 170.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.56 -49.59 75.88 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.351 169.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.81 -48.45 25.24 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 121.074 1.761 . . . . 0.0 114.85 -172.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.9 tp -62.71 -46.96 85.69 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-O 117.823 -1.084 . . . . 0.0 109.248 172.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -48.18 -55.62 10.15 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 119.439 1.018 . . . . 0.0 111.573 171.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.428 ' O ' HG23 ' B' ' 34' ' ' VAL . 0.0 OUTLIER -46.93 -43.87 19.41 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 126.941 2.096 . . . . 0.0 111.31 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 tp -49.63 -49.94 45.02 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 120.53 1.513 . . . . 0.0 110.095 177.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.579 HD22 ' H ' ' B' ' 32' ' ' LEU . 1.9 mm? -68.84 -32.35 71.98 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.988 0.915 . . . . 0.0 111.771 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.441 HG21 ' HA ' ' A' ' 119' ' ' PRO . 0.9 OUTLIER -70.35 17.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 C-N-CA 124.476 1.11 . . . . 0.0 113.221 164.481 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 30' ' ' ARG . 2.3 t -111.49 17.51 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 119.084 -2.26 . . . . 0.0 111.167 166.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 2.8 t80 46.02 49.57 6.79 Favored Pre-proline 0 CA--C 1.555 1.169 0 O-C-N 120.817 -1.177 . . . . 0.0 112.23 -170.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -79.07 142.89 17.49 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 121.631 1.554 . . . . 0.0 109.265 -173.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -26.09 44.82 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.869 1.268 . . . . 0.0 113.031 172.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 23.0 p -57.11 -20.67 26.9 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 171.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -48.8 -26.78 2.57 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.396 1.078 . . . . 0.0 113.409 170.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.427 ' HA ' ' HE ' ' C' ' 92' ' ' ARG . 5.5 ptm180 -51.25 -31.94 22.61 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 121.22 1.827 . . . . 0.0 115.225 170.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.56 10.56 32.09 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.05 0.94 . . . . 0.0 112.164 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.54 -14.65 21.08 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 175.273 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -45.42 -31.53 1.73 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.66 1.184 . . . . 0.0 112.735 173.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -96.2 -31.2 13.08 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 170.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -61.43 -27.81 68.82 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 119.978 -1.701 . . . . 0.0 113.121 173.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.18 179.23 7.57 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.114 0.864 . . . . 0.0 113.812 -177.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 33.24 -108.09 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.377 1.871 . . . . 0.0 111.839 -167.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.52 HD12 ' HG ' ' B' ' 32' ' ' LEU . 8.8 tt 59.15 -18.93 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 127.686 2.395 . . . . 0.0 117.163 176.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 15.0 m -50.17 -21.51 1.34 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.466 1.906 . . . . 0.0 114.861 -175.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 4.7 p -132.98 157.93 77.12 Favored Pre-proline 0 CA--C 1.542 0.648 0 C-N-CA 125.641 1.576 . . . . 0.0 109.52 165.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.32 -46.41 31.51 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.696 2.264 . . . . 0.0 112.716 170.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -59.49 -41.39 89.74 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.146 -0.971 . . . . 0.0 112.16 176.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.28 -37.48 80.62 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.144 0.578 . . . . 0.0 111.819 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.72 -36.63 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 120.186 1.357 . . . . 0.0 113.25 177.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -32.06 68.83 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.928 0.785 . . . . 0.0 112.764 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.51 -6.79 62.31 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.413 1.006 . . . . 0.0 115.435 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -65.48 120.87 71.62 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-N 119.075 1.437 . . . . 0.0 112.432 -175.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -60.55 -32.44 93.51 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.385 2.723 . . . . 0.0 113.614 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.52 -33.5 66.94 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.659 -1.276 . . . . 0.0 112.84 173.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.11 -36.08 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 119.911 1.232 . . . . 0.0 110.948 171.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -59.8 -52.19 66.5 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.263 0.938 . . . . 0.0 111.897 167.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.5 98.63 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -37.29 77.95 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.42 -1.425 . . . . 0.0 110.971 172.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.39 -45.38 75.71 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 126.965 2.222 . . . . 0.0 113.945 171.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -57.33 -43.39 83.32 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.712 0.805 . . . . 0.0 112.393 169.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -53.63 33.08 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.843 0.857 . . . . 0.0 112.288 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.8 p -55.02 -43.65 70.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 119.197 0.908 . . . . 0.0 111.804 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.413 HD23 ' O ' ' B' ' 68' ' ' LEU . 5.1 tt -72.52 -36.37 68.31 Favored 'General case' 0 C--O 1.223 -0.304 0 O-C-N 120.937 -1.102 . . . . 0.0 113.18 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.64 -35.41 45.72 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 124.895 1.236 . . . . 0.0 112.6 170.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.72 -45.77 67.46 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 117.919 0.86 . . . . 0.0 112.479 169.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -58.58 -39.45 80.38 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 120.17 -1.581 . . . . 0.0 112.865 173.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 89.0 p -73.76 -39.73 64.0 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.613 -1.305 . . . . 0.0 113.276 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -54.74 -32.43 59.78 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.401 1.0 . . . . 0.0 111.309 164.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.9 -63.27 5.22 Favored Glycine 0 C--N 1.341 0.81 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 172.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mt -55.52 -21.57 17.4 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 177.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.55 -27.42 31.65 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.404 1.482 . . . . 0.0 114.552 171.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -147.61 52.09 1.05 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.951 1.7 . . . . 0.0 112.661 -171.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.6 -20.19 64.49 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.411 -1.43 . . . . 0.0 114.32 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -82.22 -9.12 59.61 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.176 1.791 . . . . 0.0 113.828 172.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -130.85 29.04 4.78 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.355 1.862 . . . . 0.0 112.133 -172.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.8 mt -58.09 -17.5 18.54 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 178.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -0.13 29.61 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 120.388 1.449 . . . . 0.0 113.778 174.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.09 -32.98 4.45 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.34 1.448 . . . . 0.0 114.282 -177.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.67 -16.25 21.04 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.137 0.975 . . . . 0.0 113.302 175.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -107.37 3.5 25.36 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.813 0.845 . . . . 0.0 113.164 -169.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.31 -34.5 72.4 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.4 p -65.74 -42.2 91.25 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.951 -1.093 . . . . 0.0 111.969 169.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 19.2 mt -69.57 -38.53 77.42 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 123.459 0.703 . . . . 0.0 111.966 177.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 84.2 p -67.08 -40.59 87.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 120.198 1.363 . . . . 0.0 111.566 176.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -61.22 -42.04 97.91 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.423 0.689 . . . . 0.0 112.071 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 30.5 tp -57.49 -60.04 4.26 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.118 -0.989 . . . . 0.0 111.71 170.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -74.25 18.63 0.14 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.123 1.369 . . . . 0.0 114.071 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 48.8 t -131.52 -87.66 0.47 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.173 1.389 . . . . 0.0 108.837 164.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.66 -19.89 29.74 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 -170.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.16 -42.33 6.74 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.885 0.874 . . . . 0.0 112.472 169.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.42 67.5 1.13 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.433 1.893 . . . . 0.0 112.082 -173.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.77 33.11 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 128.427 2.691 . . . . 0.0 114.746 162.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 2.1 m -47.17 146.03 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 120.543 -1.348 . . . . 0.0 111.324 167.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.24 138.99 66.24 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 123.755 0.822 . . . . 0.0 111.677 -174.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -50.7 -34.42 43.86 Favored 'Trans proline' 0 CA--C 1.536 0.59 0 C-N-CA 123.152 2.568 . . . . 0.0 115.442 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -50.83 -35.97 35.08 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.693 -1.254 . . . . 0.0 112.782 173.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -65.72 -35.79 81.75 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 118.25 -0.881 . . . . 0.0 113.271 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' PHE . . . . . 0.505 ' CD1' ' HB1' ' B' ' 138' ' ' ALA . 0.2 OUTLIER -56.76 -48.18 78.41 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.507 1.049 . . . . 0.0 109.106 168.827 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 104' ' ' ARG . . . . . 0.413 ' N ' ' CD1' ' B' ' 103' ' ' PHE . 20.0 ttm-85 -66.09 -45.19 82.08 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 118.839 -0.6 . . . . 0.0 109.4 -171.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 7.0 mp -53.69 -44.68 69.96 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 118.19 -0.91 . . . . 0.0 112.169 173.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.06 -48.26 79.44 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.041 1.291 . . . . 0.0 111.126 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' GLY . . . . . 0.421 ' HA3' HG11 ' B' ' 134' ' ' VAL . . . -54.85 -53.59 38.71 Favored Glycine 0 CA--C 1.536 1.402 0 O-C-N 121.527 -0.733 . . . . 0.0 114.289 173.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -56.03 -36.74 68.34 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.168 1.787 . . . . 0.0 112.308 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.21 -42.24 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 O-C-N 120.643 -1.285 . . . . 0.0 111.811 176.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 47.2 tp -56.56 -50.16 72.71 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.208 0.603 . . . . 0.0 109.737 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 26.1 m -57.41 -33.23 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 97.4 m -67.4 -39.1 85.55 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.36 0.982 . . . . 0.0 112.199 175.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -68.84 -43.93 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 120.74 -1.225 . . . . 0.0 111.841 178.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -41.49 97.5 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.983 1.265 . . . . 0.0 109.816 175.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.17 -37.14 66.64 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 118.752 -0.642 . . . . 0.0 112.486 173.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -72.93 -58.86 3.02 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.028 0.831 . . . . 0.0 113.001 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -67.61 -22.85 65.33 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -173.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -124.28 39.46 3.96 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.319 1.848 . . . . 0.0 110.54 176.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -49.81 163.18 0.71 Allowed Glycine 0 CA--C 1.54 1.611 0 C-N-CA 123.648 0.642 . . . . 0.0 111.831 157.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt 61.88 -24.26 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 126.028 1.731 . . . . 0.0 115.373 -158.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -116.84 -3.74 11.64 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.581 1.152 . . . . 0.0 113.439 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' PHE . . . . . 0.41 ' O ' ' CG ' ' B' ' 122' ' ' PHE . 0.8 OUTLIER -68.57 39.72 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 127.911 2.484 . . . . 0.0 115.131 179.583 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.41 144.5 1.68 Allowed Pre-proline 0 N--CA 1.487 1.403 0 O-C-N 120.707 -1.245 . . . . 0.0 113.389 -166.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -46.32 -50.29 10.4 Favored 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 122.487 2.125 . . . . 0.0 115.507 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -64.39 -23.88 64.87 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.481 2.121 . . . . 0.0 115.595 172.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.43 -43.54 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 120.905 1.684 . . . . 0.0 112.369 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -69.66 -38.77 77.23 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 120.203 1.365 . . . . 0.0 112.335 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.13 95.59 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.544 1.065 . . . . 0.0 111.575 172.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.75 -48.64 80.48 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.738 0.815 . . . . 0.0 111.139 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.532 ' CZ ' HG23 ' B' ' 11' ' ' VAL . 33.6 m-85 -55.56 -49.9 71.48 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 118.57 -0.729 . . . . 0.0 112.051 168.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -54.76 -37.17 65.66 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.858 1.208 . . . . 0.0 113.2 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -67.92 -42.15 81.52 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.76 1.618 . . . . 0.0 112.658 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.49 -36.86 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.867 -1.145 . . . . 0.0 112.763 176.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.421 HG11 ' HA3' ' B' ' 107' ' ' GLY . 32.2 t -62.33 -49.5 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.933 1.693 . . . . 0.0 110.699 172.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.31 -50.25 74.72 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.919 0.888 . . . . 0.0 110.917 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.72 -52.5 50.27 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-N 118.779 0.718 . . . . 0.0 113.072 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -41.65 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 118.381 1.091 . . . . 0.0 110.485 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 138' ' ' ALA . . . . . 0.505 ' HB1' ' CD1' ' B' ' 103' ' ' PHE . . . -72.86 -36.72 67.46 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -178.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -60.56 -32.43 71.51 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.288 0.949 . . . . 0.0 110.899 168.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -71.18 -37.78 72.15 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 169.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 7.4 mt -64.67 -37.11 86.46 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.308 -1.495 . . . . 0.0 111.347 172.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.48 -8.71 35.68 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.733 1.213 . . . . 0.0 113.675 168.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -66.87 -26.44 66.89 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 119.545 -1.972 . . . . 0.0 113.907 -173.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -80.37 -17.85 50.73 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 121.177 -0.952 . . . . 0.0 113.102 168.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 1.01 0 C-N-CA 126.873 2.069 . . . . 0.0 112.995 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.251 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.694 HD13 HG22 ' C' ' 73' ' ' VAL . 1.4 mp -125.57 -134.58 0.26 Allowed 'General case' 0 CA--C 1.56 1.333 0 CA-C-N 122.685 2.493 . . . . 0.0 110.198 -171.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 46.4 m 125.06 -30.12 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.921 0 C-N-CA 130.871 3.669 . . . . 0.0 117.073 174.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -57.74 -173.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 124.843 3.695 . . . . 0.0 116.719 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.3 -28.48 2.01 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.617 1.567 . . . . 0.0 114.637 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -57.46 -45.56 84.65 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.333 -0.855 . . . . 0.0 112.961 169.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.46 -49.62 64.27 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.358 1.435 . . . . 0.0 109.896 171.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 49.7 m -57.41 -43.5 83.8 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 118.858 0.754 . . . . 0.0 111.252 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -63.71 -37.68 88.25 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.563 0.745 . . . . 0.0 112.387 173.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.31 -47.17 93.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.617 1.099 . . . . 0.0 111.492 171.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -43.98 94.28 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 119.647 1.112 . . . . 0.0 110.843 -179.031 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.06 -56.59 20.11 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.892 0.877 . . . . 0.0 110.487 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' ALA . . . . . 0.426 ' HB1' HD11 ' C' ' 113' ' ' LEU . . . -53.57 -52.52 59.49 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.361 1.064 . . . . 0.0 112.066 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -65.76 -27.07 68.03 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.01 -37.98 95.32 Favored Glycine 0 CA--C 1.534 1.273 0 O-C-N 121.181 -0.949 . . . . 0.0 112.879 168.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -67.53 -40.67 85.04 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 117.96 0.88 . . . . 0.0 111.212 169.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 97.0 t -60.1 -48.25 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.227 1.011 . . . . 0.0 112.392 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 35.7 -119.21 0.41 Allowed Glycine 0 CA--C 1.54 1.641 0 C-N-CA 125.064 1.316 . . . . 0.0 114.977 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.09 -25.31 66.16 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -68.32 -14.51 63.05 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.465 1.106 . . . . 0.0 113.14 178.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.533 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -42.16 -49.0 4.9 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.911 1.285 . . . . 0.0 114.014 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.13 -32.03 66.02 Favored Glycine 0 C--N 1.339 0.715 0 CA-C-O 118.785 -1.008 . . . . 0.0 113.69 -177.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -41.67 96.95 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.446 1.123 . . . . 0.0 109.952 172.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -67.24 -39.86 86.22 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 120.794 -1.191 . . . . 0.0 113.015 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.65 -48.26 85.52 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-N 118.717 0.689 . . . . 0.0 112.201 172.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.65 -51.65 67.9 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.244 1.018 . . . . 0.0 111.685 176.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.08 -25.21 66.12 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.83 0.852 . . . . 0.0 112.935 179.012 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.81 -43.42 58.85 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.405 1.002 . . . . 0.0 111.787 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 27.6 mt -58.71 -47.79 83.34 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.762 0.825 . . . . 0.0 111.061 174.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -59.65 -48.32 82.12 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 119.202 -0.427 . . . . 0.0 111.57 177.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.31 -47.23 69.43 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.912 0.885 . . . . 0.0 113.006 172.273 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 32' ' ' MET . . . . . 0.596 ' HG2' HG21 ' C' ' 39' ' ' THR . 39.6 ttp -59.03 -42.83 91.13 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.472 0.578 . . . . 0.0 112.029 176.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -59.29 -56.01 27.52 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.868 0.758 . . . . 0.0 111.794 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -73.05 -23.79 60.62 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 83.9 p -82.65 -29.5 29.97 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.829 1.195 . . . . 0.0 113.592 172.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' PHE . . . . . 0.494 ' O ' HG22 ' C' ' 39' ' ' THR . 14.7 m-85 -140.4 67.54 31.43 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 126.185 1.794 . . . . 0.0 110.87 -175.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -61.57 -22.29 74.09 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.933 2.422 . . . . 0.0 114.194 -171.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 7.7 p -55.58 -33.05 63.55 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.355 1.462 . . . . 0.0 113.397 168.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' THR . . . . . 0.596 HG21 ' HG2' ' C' ' 32' ' ' MET . 3.8 t -56.29 -30.65 62.79 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.445 1.098 . . . . 0.0 113.701 174.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -59.59 -31.1 69.14 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.213 1.405 . . . . 0.0 113.048 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 4.0 t -61.1 -24.3 66.14 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 42' ' ' TYR . . . . . 0.538 ' CE1' ' HA ' ' C' ' 93' ' ' VAL . 0.1 OUTLIER -66.35 -15.2 63.08 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 174.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -146.48 84.33 7.83 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 124.332 1.053 . . . . 0.0 111.84 175.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -73.98 44.36 0.97 Allowed 'Trans proline' 0 CA--C 1.554 1.499 1 C-N-CA 125.401 4.067 . . . . 0.0 114.268 -174.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -160.64 91.21 0.89 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.798 2.439 . . . . 0.0 108.349 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -176.71 116.2 0.11 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.985 1.314 . . . . 0.0 110.293 167.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -70.09 121.19 17.0 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.281 -0.887 . . . . 0.0 109.677 164.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 61.6 mt -106.72 25.81 10.78 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.6 1.16 . . . . 0.0 112.143 -175.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 75.1 p -57.05 153.39 11.53 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.61 1.164 . . . . 0.0 112.305 175.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -59.43 122.21 13.41 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.642 -0.661 . . . . 0.0 110.638 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.96 18.41 72.49 Favored Glycine 0 CA--C 1.541 1.702 0 CA-C-O 118.803 -0.999 . . . . 0.0 114.969 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -47.06 123.07 4.93 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.017 1.408 . . . . 0.0 113.623 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.6 -18.03 61.35 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.329 1.052 . . . . 0.0 113.624 175.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -89.61 -41.66 11.84 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.437 1.017 . . . . 0.0 111.708 173.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.01 -38.46 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 O-C-N 121.459 -0.776 . . . . 0.0 111.547 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -41.69 97.94 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 119.445 1.02 . . . . 0.0 113.507 171.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.44 -42.35 49.01 Favored Glycine 0 N--CA 1.474 1.21 0 C-N-CA 124.006 0.812 . . . . 0.0 112.357 -177.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -61.49 -44.26 97.4 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.891 -0.77 . . . . 0.0 110.783 168.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -49.82 -52.84 24.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 121.13 -0.981 . . . . 0.0 113.668 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -55.62 -35.6 66.06 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 118.802 1.301 . . . . 0.0 112.946 174.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -70.97 -49.71 42.45 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.568 1.147 . . . . 0.0 113.602 174.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 49.1 t -54.74 -40.95 53.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 O-C-N 120.909 -1.119 . . . . 0.0 110.653 171.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 63' ' ' ALA . . . . . 0.533 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -60.42 -50.15 74.73 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 173.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -34.67 75.17 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 120.217 1.371 . . . . 0.0 111.775 177.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.75 98.02 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 170.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.59 -43.2 97.65 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 118.02 -0.99 . . . . 0.0 111.213 171.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 27.7 m -56.33 -49.14 75.2 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 120.58 1.536 . . . . 0.0 111.91 170.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -29.69 70.15 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.578 1.535 . . . . 0.0 112.534 178.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.58 -50.48 51.4 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 118.954 0.797 . . . . 0.0 110.98 170.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 83.9 t -58.05 -43.23 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 120.005 1.275 . . . . 0.0 111.382 177.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.05 -24.64 68.0 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.883 1.273 . . . . 0.0 113.735 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -138.86 34.01 2.18 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 124.289 1.035 . . . . 0.0 111.227 -173.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.694 HG22 HD13 ' C' ' 2' ' ' LEU . 5.9 p -57.62 -20.42 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 O-C-N 120.628 -1.295 . . . . 0.0 113.644 -167.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -111.48 -0.73 16.13 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.54 1.536 . . . . 0.0 114.253 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.71 23.05 5.03 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 129.475 3.11 . . . . 0.0 110.18 -172.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -108.81 29.4 0.07 OUTLIER Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 125.842 1.657 . . . . 0.0 114.737 -178.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -64.62 -22.79 64.38 Favored 'Trans proline' 0 C--N 1.356 0.964 0 CA-C-N 123.613 2.326 . . . . 0.0 113.248 -174.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.91 6.41 2.42 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.354 1.462 . . . . 0.0 113.5 175.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.19 -27.29 66.27 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.186 -1.571 . . . . 0.0 113.17 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 28.5 mt -92.83 5.24 51.94 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.181 0.992 . . . . 0.0 112.002 173.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 41.0 m -60.73 -36.99 80.25 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.166 1.348 . . . . 0.0 113.792 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.32 70.28 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.956 1.253 . . . . 0.0 112.339 173.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.88 -44.49 48.6 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.779 0.831 . . . . 0.0 110.02 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 4.7 t -54.52 -44.01 72.39 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.309 0.504 . . . . 0.0 111.579 172.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -60.26 -42.22 94.87 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.606 -1.309 . . . . 0.0 112.565 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tp -59.19 -59.17 5.88 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.653 -1.279 . . . . 0.0 111.377 170.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -69.95 -28.41 65.54 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.201 -0.937 . . . . 0.0 113.264 -174.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.19 -14.1 18.64 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.628 1.571 . . . . 0.0 114.105 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -125.02 -48.92 1.73 Allowed 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.663 1.12 . . . . 0.0 113.59 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -67.87 -34.61 77.01 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 119.915 1.234 . . . . 0.0 112.26 174.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 20.9 mt -118.86 -26.15 6.12 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 92' ' ' ARG . . . . . 0.427 ' HE ' ' HA ' ' B' ' 40' ' ' ARG 0.324 1.4 mtt-85 41.93 53.42 4.15 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 127.792 2.437 . . . . 0.0 114.093 -170.753 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 93' ' ' VAL . . . . . 0.538 ' HA ' ' CE1' ' C' ' 42' ' ' TYR . 71.6 t -77.11 125.96 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 127.271 2.228 . . . . 0.0 112.269 177.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -51.54 125.57 28.06 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 125.399 1.48 . . . . 0.0 110.941 164.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -39.4 -24.07 0.1 Allowed 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 124.761 3.641 . . . . 0.0 116.796 168.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 7.6 p -46.0 -41.99 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 120.576 1.535 . . . . 0.0 113.158 171.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -65.38 -33.87 76.98 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.237 -0.914 . . . . 0.0 112.511 177.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 98' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -56.0 -47.53 77.59 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 119.272 0.942 . . . . 0.0 109.083 171.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -55.94 -43.44 77.46 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.876 0.762 . . . . 0.0 110.336 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.02 -55.05 29.03 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.216 1.006 . . . . 0.0 110.975 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 23.2 tp -56.27 -43.24 78.58 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.454 0.702 . . . . 0.0 112.572 175.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 43.7 t -66.5 -44.5 82.43 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.393 1.477 . . . . 0.0 112.832 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -56.88 -46.99 81.49 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.597 -0.69 . . . . 0.0 111.293 169.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 74.7 m -65.6 -33.84 76.83 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.73 -51.1 69.74 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 119.682 1.128 . . . . 0.0 110.93 167.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 31.6 mt -52.66 -40.67 63.09 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.226 1.375 . . . . 0.0 112.167 175.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 34.3 t -60.85 -53.13 53.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 118.807 -0.616 . . . . 0.0 112.449 171.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 40.3 p -68.58 -42.19 78.63 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.707 1.14 . . . . 0.0 112.449 -175.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -55.25 -61.7 2.16 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 118.181 -0.914 . . . . 0.0 108.867 170.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -50.74 -38.86 50.09 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.88 1.218 . . . . 0.0 112.921 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.27 -23.17 57.4 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 117.553 2.427 . . . . 0.0 117.553 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -126.97 -41.43 1.8 Allowed 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.626 1.103 . . . . 0.0 113.1 -173.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 113' ' ' LEU . . . . . 0.426 HD11 ' HB1' ' C' ' 13' ' ' ALA . 3.7 tt -65.68 122.95 83.2 Favored Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 168.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -70.87 75.68 1.65 Allowed 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.178 2.585 . . . . 0.0 110.237 171.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.77 10.2 0.22 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.928 1.291 . . . . 0.0 112.657 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 42.69 25.64 0.05 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.657 2.383 . . . . 0.0 113.162 -164.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 21.1 p90 39.02 14.52 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.831 2.452 . . . . 0.0 116.517 -162.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.78 155.19 83.47 Favored Pre-proline 0 N--CA 1.471 0.594 0 CA-C-N 120.053 1.297 . . . . 0.0 111.963 -161.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 119' ' ' PRO . . . . . 0.47 ' HA ' HG21 ' D' ' 33' ' ' VAL . 63.5 Cg_endo -63.0 -45.77 12.01 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 121.26 1.307 . . . . 0.0 110.907 175.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.65 -24.85 67.13 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 120.916 -1.115 . . . . 0.0 113.465 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 47.8 t -87.04 -37.25 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 CA-C-N 119.922 1.237 . . . . 0.0 112.662 178.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -67.11 -35.55 80.01 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.045 -1.66 . . . . 0.0 111.451 169.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.86 -53.65 55.85 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.335 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 54.0 p -58.67 -46.99 85.98 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 113.35 0.871 . . . . 0.0 113.35 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.4 -44.19 95.41 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.519 -0.753 . . . . 0.0 111.812 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -64.98 -56.59 12.28 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 120.198 1.363 . . . . 0.0 111.878 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -33.32 70.34 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.057 0.39 . . . . 0.0 111.417 -177.072 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -66.93 -54.56 20.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 118.446 -0.787 . . . . 0.0 111.268 174.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -37.33 70.82 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.717 0.69 . . . . 0.0 111.114 177.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.25 -30.61 71.23 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 171.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 32.3 m -81.37 -36.97 28.97 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.386 -1.446 . . . . 0.0 112.448 171.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 47.4 t -52.45 -50.81 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 119.452 1.024 . . . . 0.0 108.732 169.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 84.0 p -63.78 -48.84 75.29 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 117.007 -1.473 . . . . 0.0 112.98 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 52.5 m -51.56 -38.07 52.57 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 121.072 1.76 . . . . 0.0 112.217 177.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 58.8 t -71.08 -48.9 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 O-C-N 121.052 -1.03 . . . . 0.0 111.22 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -3.16 2.04 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.012 1.325 . . . . 0.0 114.486 177.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 44.2 p -126.33 3.33 7.03 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.295 2.238 . . . . 0.0 111.343 176.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 CA--C 1.534 0.362 0 C-N-CA 125.157 1.383 . . . . 0.0 111.505 171.681 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.29 2.2 p . . . . . 0 N--CA 1.516 2.85 0 CA-C-O 118.057 -0.973 . . . . 0.0 113.025 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 35.68 80.69 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 127.681 2.392 . . . . 0.0 116.103 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 159.03 16.0 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 121.227 -0.921 . . . . 0.0 112.053 177.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.47 141.86 93.73 Favored Pre-proline 0 N--CA 1.478 0.97 0 CA-C-O 117.919 -1.039 . . . . 0.0 109.633 168.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -47.69 -43.85 27.56 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 124.486 3.457 . . . . 0.0 116.35 -175.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.53 -39.99 94.78 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.348 -0.845 . . . . 0.0 112.461 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.76 -44.26 67.1 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 118.403 -0.808 . . . . 0.0 110.594 176.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -47.9 65.37 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.534 1.134 . . . . 0.0 111.469 169.375 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 14.8 t -55.51 -52.04 65.0 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.881 0.764 . . . . 0.0 110.828 173.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.16 -49.76 73.08 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 11' ' ' VAL . . . . . 0.523 HG23 ' CZ ' ' D' ' 130' ' ' TYR . 2.6 p -65.69 -55.41 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 119.547 1.067 . . . . 0.0 111.786 175.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -68.12 -36.14 79.25 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.938 0.79 . . . . 0.0 111.712 -169.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.58 94.12 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.978 0.808 . . . . 0.0 111.701 175.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.59 -39.35 88.37 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.639 -0.663 . . . . 0.0 110.51 173.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -21.95 57.68 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 166.053 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.14 -37.12 43.74 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.216 0.912 . . . . 0.0 113.047 174.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt -87.97 -21.68 24.72 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 118.021 0.91 . . . . 0.0 113.347 175.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.97 135.67 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 124.579 1.152 . . . . 0.0 111.826 -173.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.16 87.0 7.18 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 95.6 t -53.91 -35.05 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 CA-C-N 119.683 1.129 . . . . 0.0 113.778 -167.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -63.04 -50.8 69.24 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.196 0.998 . . . . 0.0 112.68 172.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -86.45 -45.97 10.64 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.256 -0.902 . . . . 0.0 111.314 -170.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -32.58 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 119.099 0.863 . . . . 0.0 110.852 169.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.88 -45.25 17.13 Favored Glycine 0 C--N 1.34 0.764 0 CA-C-N 119.102 0.865 . . . . 0.0 111.982 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.46 -41.86 99.17 Favored Glycine 0 N--CA 1.467 0.725 0 CA-C-N 118.587 1.194 . . . . 0.0 112.642 170.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.73 -49.65 75.85 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.406 169.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.68 -48.39 26.36 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 121.023 1.738 . . . . 0.0 114.833 -173.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 44.3 tp -63.06 -46.76 85.98 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 117.599 -1.191 . . . . 0.0 109.174 172.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -48.26 -55.52 10.38 Favored Glycine 0 C--N 1.336 0.569 0 CA-C-N 119.591 1.087 . . . . 0.0 111.612 171.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 30' ' ' ARG . . . . . 0.432 ' O ' HG23 ' D' ' 34' ' ' VAL . 0.0 OUTLIER -47.03 -43.56 19.75 Favored 'General case' 0 C--O 1.215 -0.715 0 C-N-CA 126.949 2.1 . . . . 0.0 111.37 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 tp -49.97 -49.79 49.1 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.628 1.558 . . . . 0.0 110.065 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 32' ' ' LEU . . . . . 0.584 HD22 ' H ' ' D' ' 32' ' ' LEU . 1.9 mm? -68.95 -32.37 71.93 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.123 0.969 . . . . 0.0 111.641 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 33' ' ' VAL . . . . . 0.47 HG21 ' HA ' ' C' ' 119' ' ' PRO . 0.9 OUTLIER -70.47 17.79 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.34 1.056 . . . . 0.0 113.19 164.56 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 34' ' ' VAL . . . . . 0.432 HG23 ' O ' ' D' ' 30' ' ' ARG . 2.4 t -111.49 17.48 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 O-C-N 119.243 -2.161 . . . . 0.0 111.168 166.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 2.8 t80 46.22 49.38 6.61 Favored Pre-proline 0 CA--C 1.554 1.132 0 O-C-N 120.876 -1.14 . . . . 0.0 112.22 -170.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -79.04 142.93 17.58 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 121.606 1.537 . . . . 0.0 109.302 -173.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -26.02 45.75 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.79 1.236 . . . . 0.0 113.039 172.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 23.1 p -57.06 -20.69 26.29 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 171.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -48.8 -26.81 2.58 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.25 1.02 . . . . 0.0 113.472 170.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 40' ' ' ARG . . . . . 0.424 ' HA ' ' HE ' ' A' ' 92' ' ' ARG . 5.5 ptm180 -51.18 -31.97 21.86 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 121.092 1.769 . . . . 0.0 115.304 170.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.47 10.57 31.83 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.955 0.902 . . . . 0.0 112.31 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -14.58 20.77 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 175.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -45.49 -31.57 1.82 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.613 1.165 . . . . 0.0 112.683 173.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -96.17 -31.12 13.13 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 170.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -61.42 -27.81 68.81 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 120.816 1.644 . . . . 0.0 113.182 173.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.19 179.13 7.5 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 123.98 0.8 . . . . 0.0 113.842 -177.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 33.34 -108.17 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.396 1.878 . . . . 0.0 111.796 -167.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 48' ' ' LEU . . . . . 0.529 HD12 ' HG ' ' D' ' 32' ' ' LEU . 8.9 tt 59.26 -18.92 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.611 2.365 . . . . 0.0 117.169 176.078 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 14.9 m -50.2 -21.64 1.41 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.456 1.902 . . . . 0.0 114.904 -175.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 4.7 p -132.64 158.03 76.79 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 125.691 1.596 . . . . 0.0 109.705 164.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.42 -46.5 31.11 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.803 2.335 . . . . 0.0 112.651 170.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -59.35 -41.56 89.48 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.215 -0.928 . . . . 0.0 112.232 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.51 80.13 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.077 0.551 . . . . 0.0 111.943 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.7 -36.7 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-N 119.995 1.27 . . . . 0.0 113.122 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -31.99 68.64 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.102 0.865 . . . . 0.0 112.725 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.63 -6.56 62.3 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.446 1.022 . . . . 0.0 115.477 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -65.67 120.91 72.43 Favored Pre-proline 0 CA--C 1.548 0.897 0 CA-C-N 119.147 1.474 . . . . 0.0 112.394 -175.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -60.63 -32.41 93.28 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.394 2.73 . . . . 0.0 113.634 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.51 -33.38 66.87 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.617 -1.302 . . . . 0.0 112.888 173.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.11 -36.13 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 119.95 1.25 . . . . 0.0 111.021 171.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -59.91 -52.12 66.8 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.127 0.876 . . . . 0.0 111.868 167.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.84 97.8 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.06 -37.33 78.46 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.41 -1.431 . . . . 0.0 110.973 172.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.43 -45.55 75.57 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 126.981 2.229 . . . . 0.0 113.894 171.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -57.09 -43.52 82.26 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.692 0.797 . . . . 0.0 112.353 169.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -53.59 34.34 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.769 0.827 . . . . 0.0 112.297 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.19 -43.47 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 119.154 0.888 . . . . 0.0 111.75 174.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 68' ' ' LEU . . . . . 0.401 HD23 ' O ' ' D' ' 68' ' ' LEU . 5.1 tt -72.57 -36.51 68.21 Favored 'General case' 0 C--O 1.224 -0.241 0 O-C-N 120.852 -1.155 . . . . 0.0 113.107 177.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.58 -35.66 45.91 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 125.054 1.312 . . . . 0.0 112.454 170.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.37 -45.93 68.18 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 117.987 0.893 . . . . 0.0 112.451 169.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -58.5 -39.52 80.28 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.189 -1.569 . . . . 0.0 112.976 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 88.7 p -73.65 -39.85 64.18 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.637 -1.29 . . . . 0.0 113.299 175.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -54.53 -32.51 58.36 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.422 1.01 . . . . 0.0 111.361 164.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.92 -63.21 5.28 Favored Glycine 0 C--N 1.339 0.74 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 172.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mt -55.72 -21.44 18.69 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.55 -27.55 31.56 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.385 1.474 . . . . 0.0 114.505 171.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -147.53 52.09 1.06 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.044 1.737 . . . . 0.0 112.791 -171.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.43 -20.3 64.37 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 120.373 -1.454 . . . . 0.0 114.25 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -82.37 -9.09 59.59 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.196 1.798 . . . . 0.0 113.775 172.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -130.92 29.12 4.76 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.378 1.871 . . . . 0.0 112.134 -172.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 83.1 mt -58.23 -17.3 18.15 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.88 -0.06 29.58 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 120.385 1.448 . . . . 0.0 113.709 174.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.09 -33.34 4.33 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.276 1.417 . . . . 0.0 114.188 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.15 -16.73 21.32 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.132 0.973 . . . . 0.0 113.305 175.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -107.0 3.45 26.03 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.843 0.857 . . . . 0.0 113.162 -169.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.23 -34.53 72.3 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -175.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 4.1 p -65.88 -42.12 90.72 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 120.995 -1.066 . . . . 0.0 111.855 169.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 19.2 mt -69.71 -38.36 76.9 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 123.447 0.699 . . . . 0.0 111.947 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -67.19 -40.45 86.52 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 120.2 1.364 . . . . 0.0 111.647 176.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -61.32 -42.06 98.04 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.313 0.645 . . . . 0.0 112.083 172.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 31.1 tp -57.29 -60.12 4.1 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.056 -1.028 . . . . 0.0 111.797 170.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -74.38 18.74 0.14 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.103 1.361 . . . . 0.0 114.076 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 48.8 t -131.54 -87.63 0.47 Allowed 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.164 1.386 . . . . 0.0 108.904 164.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.65 -19.91 29.85 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.729 1.752 . . . . 0.0 115.729 -170.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.16 -42.17 6.81 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.901 0.88 . . . . 0.0 112.58 169.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.55 67.71 1.12 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.3 1.84 . . . . 0.0 111.973 -173.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.8 32.99 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 128.455 2.702 . . . . 0.0 114.802 162.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 2.0 m -47.22 146.01 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 120.506 -1.371 . . . . 0.0 111.267 167.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.19 138.95 65.86 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 123.807 0.843 . . . . 0.0 111.596 -174.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -50.84 -34.23 44.3 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.127 2.551 . . . . 0.0 115.395 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -50.79 -36.06 35.09 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.811 -1.181 . . . . 0.0 112.724 173.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -65.76 -35.88 81.97 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 118.288 -0.863 . . . . 0.0 113.237 177.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 103' ' ' PHE . . . . . 0.508 ' CD1' ' HB1' ' D' ' 138' ' ' ALA . 0.1 OUTLIER -56.66 -48.2 78.12 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.544 1.065 . . . . 0.0 109.096 168.839 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 104' ' ' ARG . . . . . 0.416 ' N ' ' CD1' ' D' ' 103' ' ' PHE . 20.0 ttm-85 -66.3 -44.92 82.12 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-O 118.597 -0.716 . . . . 0.0 109.344 -171.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 7.0 mp -53.74 -44.57 70.04 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.983 0.913 . . . . 0.0 112.188 173.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.34 -48.01 79.78 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.933 1.242 . . . . 0.0 111.149 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 107' ' ' GLY . . . . . 0.436 ' HA3' HG11 ' D' ' 134' ' ' VAL . . . -55.05 -53.32 41.0 Favored Glycine 0 CA--C 1.536 1.372 0 O-C-N 121.551 -0.718 . . . . 0.0 114.326 173.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -56.12 -36.79 68.62 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.39 1.876 . . . . 0.0 112.403 174.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.3 -42.18 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 O-C-N 120.709 -1.244 . . . . 0.0 111.917 176.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 47.7 tp -56.43 -50.12 72.59 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.28 0.632 . . . . 0.0 109.891 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 26.4 m -57.54 -33.27 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 176.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 97.2 m -67.28 -39.16 86.01 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.26 0.937 . . . . 0.0 112.249 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -68.84 -43.77 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 O-C-N 120.801 -1.187 . . . . 0.0 112.004 178.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -41.61 97.73 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.86 1.209 . . . . 0.0 109.734 175.223 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.14 -37.13 66.55 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 118.782 -0.628 . . . . 0.0 112.53 173.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -73.0 -58.84 3.03 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.997 0.817 . . . . 0.0 112.937 174.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -67.49 -22.97 65.43 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -173.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -124.24 39.48 3.96 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.336 1.854 . . . . 0.0 110.546 176.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -49.87 163.2 0.72 Allowed Glycine 0 CA--C 1.541 1.664 0 C-N-CA 123.593 0.616 . . . . 0.0 111.844 157.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt 61.72 -24.02 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 126.143 1.777 . . . . 0.0 115.342 -158.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -117.16 -3.56 11.5 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.521 1.128 . . . . 0.0 113.419 -175.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -68.53 39.5 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 127.958 2.503 . . . . 0.0 115.054 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.51 144.51 1.72 Allowed Pre-proline 0 N--CA 1.486 1.346 0 O-C-N 120.682 -1.262 . . . . 0.0 113.324 -166.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -46.09 -50.5 9.84 Favored 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 122.453 2.102 . . . . 0.0 115.633 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -63.94 -24.23 67.58 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.48 2.12 . . . . 0.0 115.595 172.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -43.58 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-N 120.934 1.697 . . . . 0.0 112.364 179.206 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -69.58 -38.83 77.53 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 120.207 1.367 . . . . 0.0 112.413 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.91 96.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.412 1.006 . . . . 0.0 111.611 172.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.57 -48.9 79.38 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.89 0.876 . . . . 0.0 111.098 176.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 130' ' ' TYR . . . . . 0.523 ' CZ ' HG23 ' D' ' 11' ' ' VAL . 33.5 m-85 -55.58 -49.99 71.29 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 118.625 -0.702 . . . . 0.0 112.027 168.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -54.58 -37.31 65.36 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.883 1.219 . . . . 0.0 113.294 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -67.9 -42.15 81.59 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.75 1.614 . . . . 0.0 112.63 176.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 35.7 m -72.54 -36.88 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 CA-C-N 119.652 1.114 . . . . 0.0 112.788 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 134' ' ' VAL . . . . . 0.436 HG11 ' HA3' ' D' ' 107' ' ' GLY . 32.2 t -62.28 -49.52 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 125.979 1.712 . . . . 0.0 110.706 172.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.29 -50.15 75.1 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.98 0.912 . . . . 0.0 110.885 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.88 -52.41 51.18 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-N 118.706 0.684 . . . . 0.0 113.045 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.44 -41.77 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 118.389 1.094 . . . . 0.0 110.532 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 138' ' ' ALA . . . . . 0.508 ' HB1' ' CD1' ' D' ' 103' ' ' PHE . . . -72.75 -36.74 67.77 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -60.43 -32.62 71.53 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 119.394 0.997 . . . . 0.0 110.903 168.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.91 -37.99 72.96 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 169.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 7.4 mt -64.65 -37.21 86.8 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.271 -1.518 . . . . 0.0 111.274 173.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.55 -8.63 35.65 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.584 1.154 . . . . 0.0 113.656 168.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -66.75 -26.62 67.07 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 119.519 -1.988 . . . . 0.0 113.884 -173.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -80.29 -17.75 51.24 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 121.143 -0.973 . . . . 0.0 113.255 168.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.15 -22.86 22.63 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.93 2.092 . . . . 0.0 113.066 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.256 1.421 0 C-N-CA 128.942 2.897 . . . . 0.0 117.1 -172.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.269 5.8 p . . . . . 0 N--CA 1.508 2.453 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 58.0 mt -136.35 -172.42 3.14 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 120.556 1.525 . . . . 0.0 112.698 -174.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.46 158.75 60.52 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 126.908 2.083 . . . . 0.0 112.511 -173.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.05 -30.1 9.28 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.018 2.479 . . . . 0.0 113.55 -173.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.2 -33.13 56.37 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.641 -0.662 . . . . 0.0 112.573 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.66 -41.21 79.62 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.409 -0.807 . . . . 0.0 112.818 -173.076 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -58.2 -45.38 87.68 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-O 118.184 -0.912 . . . . 0.0 111.676 171.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.0 m -57.45 -45.83 84.29 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 120.046 1.294 . . . . 0.0 111.912 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -66.61 -39.7 88.48 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -73.65 -37.97 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-O 118.297 -0.859 . . . . 0.0 111.728 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 mptm? -55.87 -48.38 75.67 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.151 1.341 . . . . 0.0 110.879 169.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.13 -52.47 65.18 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.373 0.669 . . . . 0.0 111.454 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.0 -48.91 77.34 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -63.99 -30.34 71.43 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.15 -43.71 95.11 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.664 1.126 . . . . 0.0 113.317 171.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -66.17 -37.06 84.72 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 118.215 1.008 . . . . 0.0 111.764 172.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.1 -49.78 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 124.885 1.274 . . . . 0.0 112.821 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.71 -145.51 6.51 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 123.919 0.771 . . . . 0.0 114.535 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.38 -22.91 55.47 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -67.09 -7.98 27.19 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 174.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -45.33 -43.09 10.55 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.719 1.208 . . . . 0.0 114.003 174.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.09 -37.26 92.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 121.977 -0.452 . . . . 0.0 113.478 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -44.53 82.67 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.295 1.038 . . . . 0.0 111.113 174.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.48 -39.88 95.61 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.166 0.587 . . . . 0.0 112.029 175.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.05 -59.65 10.47 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.208 0.909 . . . . 0.0 111.658 170.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.25 -53.43 43.9 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.572 1.149 . . . . 0.0 112.942 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -61.3 -35.59 77.76 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.417 0.687 . . . . 0.0 112.193 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.434 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -60.74 -40.39 92.23 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 118.887 0.767 . . . . 0.0 111.955 175.117 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mt -65.83 -45.71 81.26 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 118.392 0.542 . . . . 0.0 111.127 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -57.06 -42.62 80.92 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.921 0.888 . . . . 0.0 110.023 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -44.64 93.44 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-O 117.013 -1.47 . . . . 0.0 111.536 174.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.6 mtm -57.04 -51.25 70.01 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 119.787 1.176 . . . . 0.0 112.173 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.51 -48.8 71.47 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.443 0.697 . . . . 0.0 110.371 -178.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.9 mt -71.34 -40.16 70.87 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.034 0.534 . . . . 0.0 111.789 -177.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.2 p -82.59 -30.7 29.39 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -172.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -142.86 66.85 17.65 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 125.312 1.445 . . . . 0.0 109.508 -167.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -48.11 -26.87 8.38 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 124.879 3.719 . . . . 0.0 116.057 -169.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -37.48 -44.53 0.66 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 127.307 2.243 . . . . 0.0 113.22 166.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 t -58.08 -34.55 70.27 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -58.82 -22.26 58.26 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.185 1.394 . . . . 0.0 113.329 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -51.84 -28.78 16.95 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 173.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -57.98 -19.13 28.35 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 56.68 64.59 4.57 Favored Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 125.598 1.559 . . . . 0.0 112.387 -176.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -53.94 157.54 10.39 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.87 2.38 . . . . 0.0 113.585 173.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -79.67 1.42 26.44 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.04 177.59 5.99 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.439 1.496 . . . . 0.0 113.959 -168.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -118.82 154.05 33.49 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.602 1.961 . . . . 0.0 111.333 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.8 mt -116.23 23.32 12.23 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.474 1.11 . . . . 0.0 112.751 -161.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.7 m -65.34 21.3 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 128.839 2.855 . . . . 0.0 117.626 -166.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 m80 58.23 144.08 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 127.875 2.47 . . . . 0.0 113.991 -161.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.28 22.37 60.86 Favored Glycine 0 CA--C 1.542 1.725 0 O-C-N 121.345 -0.847 . . . . 0.0 115.182 -176.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.3 t -65.4 115.08 5.29 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.994 1.318 . . . . 0.0 113.493 -170.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.13 75.99 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.664 1.186 . . . . 0.0 113.5 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -62.64 -40.87 98.38 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.661 -0.649 . . . . 0.0 111.935 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.6 t -66.16 -35.04 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.308 0.643 . . . . 0.0 111.083 177.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -62.9 -51.58 66.41 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 119.594 1.088 . . . . 0.0 111.714 171.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.33 -42.65 99.83 Favored Glycine 0 N--CA 1.472 1.084 0 C-N-CA 123.798 0.714 . . . . 0.0 112.903 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -63.64 -45.37 90.55 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.628 -0.924 . . . . 0.0 111.858 171.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.82 -45.92 69.0 Favored Glycine 0 CA--C 1.533 1.169 0 O-C-N 121.186 -0.946 . . . . 0.0 113.349 173.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -56.37 -43.98 79.71 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.586 1.154 . . . . 0.0 111.748 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -63.38 -47.45 82.0 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.049 0.939 . . . . 0.0 112.913 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.5 t -54.9 -44.84 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 118.969 0.804 . . . . 0.0 110.794 172.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.441 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -63.24 -47.06 84.06 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 177.002 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -59.71 -39.01 83.21 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.638 1.108 . . . . 0.0 112.156 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.8 -44.09 97.55 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 171.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.82 -39.58 89.53 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.334 -0.854 . . . . 0.0 111.793 172.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 85.3 m -59.54 -46.52 88.65 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 120.858 -1.151 . . . . 0.0 111.646 170.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -27.75 67.96 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.532 1.06 . . . . 0.0 112.353 177.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.63 -49.76 65.21 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 119.473 1.033 . . . . 0.0 110.721 166.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 76.4 t -55.36 -37.32 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 119.863 1.21 . . . . 0.0 111.915 176.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.61 -25.56 68.02 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 175.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -145.55 23.25 1.45 Allowed 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -163.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.464 HG21 ' CE2' ' A' ' 128' ' ' PHE . 3.1 p -60.61 -24.76 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 CA-C-N 122.234 2.288 . . . . 0.0 115.869 -157.217 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.4 -6.79 57.47 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.577 -1.327 . . . . 0.0 113.98 174.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -129.51 1.06 5.02 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 128.755 2.822 . . . . 0.0 112.811 -172.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -69.94 -9.93 0.17 Allowed Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 118.224 2.676 . . . . 0.0 118.224 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.58 ' HA ' HG13 ' A' ' 135' ' ' VAL . 6.8 Cg_exo -38.71 -42.28 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 123.842 3.028 . . . . 0.0 116.869 176.524 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -101.26 -7.92 22.61 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 175.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.6 -22.84 56.55 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.424 -1.422 . . . . 0.0 112.951 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.6 mt -92.41 10.57 29.43 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.009 0.822 . . . . 0.0 113.039 170.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.3 m -56.94 -32.83 66.4 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 120.362 1.437 . . . . 0.0 114.237 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.75 -29.98 70.48 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 119.766 1.166 . . . . 0.0 112.894 171.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mt -82.72 -36.76 25.54 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.421 1.089 . . . . 0.0 111.203 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.2 t -59.7 -41.94 91.9 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 122.222 -0.298 . . . . 0.0 111.402 167.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.53 -47.81 84.53 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.564 1.146 . . . . 0.0 112.115 173.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tp -47.57 -52.53 17.34 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.3 0.955 . . . . 0.0 111.783 166.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -34.93 76.04 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.456 -0.778 . . . . 0.0 113.012 -174.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.61 -26.44 17.86 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -175.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -104.33 -10.59 17.69 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.155 1.382 . . . . 0.0 113.283 -174.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -124.01 -57.2 1.62 Allowed 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 116.843 -1.551 . . . . 0.0 115.067 -174.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 mp -136.46 -77.48 0.42 Allowed 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 116.383 -1.77 . . . . 0.0 114.28 175.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 147.39 68.91 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.466 0 C-N-CA 131.039 3.736 . . . . 0.0 113.199 175.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 73.2 t -38.04 110.95 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 C-N-CA 126.515 1.926 . . . . 0.0 112.784 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -67.01 123.61 86.67 Favored Pre-proline 0 CA--C 1.54 0.56 0 C-N-CA 122.849 0.46 . . . . 0.0 112.233 -172.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.94 -38.83 44.57 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.327 2.018 . . . . 0.0 112.193 -177.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 52.5 t -64.93 -31.64 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 119.871 -1.768 . . . . 0.0 111.768 176.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -65.25 -30.18 71.03 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.202 0.91 . . . . 0.0 112.209 173.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -47.01 82.02 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.434 1.016 . . . . 0.0 111.71 172.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -57.11 -37.06 71.42 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 118.919 0.781 . . . . 0.0 111.737 -177.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 100' ' ' LEU . 5.1 mt -61.2 -59.37 5.42 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.798 0.839 . . . . 0.0 109.245 173.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -38.07 72.31 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.789 0.836 . . . . 0.0 112.345 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.6 t -57.2 -56.75 17.81 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.614 1.166 . . . . 0.0 112.515 171.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -30.53 71.57 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.097 -1.002 . . . . 0.0 111.379 178.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 79.7 m -69.54 -33.0 72.14 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 172.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 mt -69.75 -47.93 61.2 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 119.897 1.226 . . . . 0.0 110.841 169.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.5 mt -50.55 -40.99 53.44 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.572 -0.705 . . . . 0.0 111.611 171.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.0 t -57.35 -53.23 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 169.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.6 p -68.99 -30.86 69.36 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.454 1.024 . . . . 0.0 112.731 -177.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.6 -49.35 54.88 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.021 0.828 . . . . 0.0 110.5 173.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.47 -33.67 60.12 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 172.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.1 -9.3 45.25 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -131.3 -31.82 1.61 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -176.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.3 mp -83.34 173.01 8.1 Favored Pre-proline 0 CA--C 1.559 1.322 0 C-N-CA 124.379 1.072 . . . . 0.0 110.9 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -58.64 -138.9 0.0 OUTLIER 'Trans proline' 0 CA--C 1.552 1.391 1 C-N-CA 125.918 4.412 . . . . 0.0 114.857 167.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.88 39.51 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.695 1.998 . . . . 0.0 115.218 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -38.46 -28.95 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 130.46 3.504 . . . . 0.0 115.633 -176.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -71.97 8.39 1.25 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.925 2.09 . . . . 0.0 116.439 171.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.25 159.4 1.55 Allowed Pre-proline 0 N--CA 1.491 1.599 0 CA-C-N 121.361 1.891 . . . . 0.0 113.242 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -56.0 -44.68 44.8 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.103 1.868 . . . . 0.0 112.84 171.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.16 -59.75 3.76 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 119.31 -0.376 . . . . 0.0 110.288 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 24.5 t -68.05 -43.93 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 120.249 -1.532 . . . . 0.0 113.22 -171.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -69.73 -48.45 59.42 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 120.065 1.302 . . . . 0.0 112.358 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.06 84.88 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.853 1.206 . . . . 0.0 110.612 175.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.9 m -62.44 -51.76 66.24 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.49 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.85 -41.94 95.29 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 120.473 1.488 . . . . 0.0 112.809 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -58.32 -50.58 73.11 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 120.086 1.312 . . . . 0.0 111.848 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.35 -28.93 59.78 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.464 ' CE2' HG21 ' A' ' 73' ' ' VAL . 5.8 t80 -70.22 -46.12 65.14 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.565 1.075 . . . . 0.0 110.928 172.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.95 -37.19 81.5 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 120.243 -1.535 . . . . 0.0 110.523 172.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.18 -44.59 96.27 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 170.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 96.1 p -67.23 -40.39 86.34 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 120.598 1.545 . . . . 0.0 111.853 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 44.9 t -52.85 -49.19 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.613 1.165 . . . . 0.0 109.678 170.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.6 t -57.82 -54.58 45.26 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 172.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 96.8 m -51.53 -34.12 34.97 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.469 1.031 . . . . 0.0 112.303 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.58 HG13 ' HA ' ' A' ' 77' ' ' PRO . 58.9 t -79.45 -42.44 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 172.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.81 -32.65 65.93 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.182 -1.574 . . . . 0.0 112.744 173.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 44.4 p -97.48 -1.48 44.04 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.67 1.988 . . . . 0.0 112.787 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.473 0.718 0 CA-C-N 120.552 1.524 . . . . 0.0 113.756 177.404 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.312 2.4 p . . . . . 0 N--CA 1.514 2.744 0 CA-C-O 117.643 -1.17 . . . . 0.0 112.877 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 27.5 80.28 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 128.012 2.525 . . . . 0.0 116.475 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 mt -57.67 163.45 2.51 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.061 1.345 . . . . 0.0 111.962 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.36 156.4 81.32 Favored Pre-proline 0 N--CA 1.485 1.322 0 CA-C-O 118.489 -0.767 . . . . 0.0 109.577 161.09 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -56.93 -45.79 33.76 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.659 2.239 . . . . 0.0 114.767 175.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.71 -35.21 76.88 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.223 -0.923 . . . . 0.0 111.954 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.493 ' HG2' ' HB2' ' B' ' 129' ' ' ALA . 8.0 tt0 -69.47 -40.62 76.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.09 0.956 . . . . 0.0 110.865 176.298 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -60.62 -45.1 95.29 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.046 1.339 . . . . 0.0 111.492 171.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.1 t -54.66 -48.09 72.76 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.933 0.493 . . . . 0.0 110.659 175.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.22 -53.27 60.23 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 175.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.425 HG23 ' CE2' ' B' ' 130' ' ' TYR . 6.6 p -65.21 -43.1 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 CA-C-N 119.787 1.176 . . . . 0.0 111.903 -176.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -76.85 -31.15 56.65 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.713 -0.617 . . . . 0.0 111.706 -175.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.49 -40.68 76.9 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.331 1.423 . . . . 0.0 112.504 170.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.06 -29.31 68.24 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.272 -0.892 . . . . 0.0 111.41 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -65.1 -45.02 86.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.29 0.636 . . . . 0.0 112.079 164.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.67 -35.77 58.02 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.183 1.373 . . . . 0.0 115.075 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -90.01 -10.45 44.89 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 174.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.74 135.61 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.032 0.933 . . . . 0.0 112.005 -169.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -83.02 80.67 8.97 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 46.6 t -49.95 -40.32 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 124.447 1.099 . . . . 0.0 113.727 -168.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -70.37 -35.88 73.81 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.89 0.876 . . . . 0.0 113.125 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -89.81 -49.82 6.4 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.312 -0.867 . . . . 0.0 111.346 -175.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.431 HG22 HG13 ' B' ' 113' ' ' VAL . 0.5 OUTLIER -59.52 -35.02 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 123.485 0.714 . . . . 0.0 111.002 169.2 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.43 -46.75 67.53 Favored Glycine 0 C--N 1.339 0.747 0 O-C-N 120.79 -1.194 . . . . 0.0 111.765 176.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.74 -44.18 95.96 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-N 117.51 0.655 . . . . 0.0 112.684 172.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -65.6 -34.92 79.37 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 124.003 0.921 . . . . 0.0 112.692 173.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.61 ' HB2' HG11 ' B' ' 113' ' ' VAL . . . -65.33 -54.74 24.48 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 120.718 1.599 . . . . 0.0 109.822 176.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 tp -68.62 -40.96 80.15 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.153 -174.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.403 ' O ' HG13 ' B' ' 33' ' ' VAL . . . -49.42 -58.12 8.49 Favored Glycine 0 CA--C 1.528 0.844 0 CA-C-O 119.052 -0.86 . . . . 0.0 112.515 163.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 37.7 ttt-85 -49.93 -31.86 13.43 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 125.441 1.496 . . . . 0.0 114.15 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tt -79.59 -51.12 9.69 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.177 1.353 . . . . 0.0 112.137 171.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.426 ' HB3' HD11 ' B' ' 48' ' ' LEU . 6.3 mp -73.68 -14.38 61.14 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.373 -0.829 . . . . 0.0 111.881 -171.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.403 HG13 ' O ' ' B' ' 29' ' ' GLY . 34.5 m -85.88 -12.31 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -65.31 11.58 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 CA-C-N 122.07 2.214 . . . . 0.0 113.296 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' TYR . . . . . 0.402 ' H ' ' C ' ' B' ' 33' ' ' VAL . 1.5 t80 36.54 41.24 0.23 Allowed Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 128.54 2.736 . . . . 0.0 114.413 -157.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -76.5 165.1 29.64 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 121.577 1.518 . . . . 0.0 110.061 -174.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 31.5 p90 -51.69 -30.45 22.13 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.266 -0.896 . . . . 0.0 112.261 166.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.63 -31.34 24.92 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.059 1.344 . . . . 0.0 114.081 172.015 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -59.59 -19.37 48.32 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.777 1.171 . . . . 0.0 113.21 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -62.87 -16.86 60.41 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 120.312 -1.492 . . . . 0.0 113.956 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.33 -1.21 57.9 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 172.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 0.505 ' HB2' HD13 ' B' ' 48' ' ' LEU . 1.6 p90 -62.79 -10.05 11.6 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 117.168 2.284 . . . . 0.0 117.168 -163.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -51.59 -26.35 8.61 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 176.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.414 ' O ' ' HE3' ' B' ' 59' ' ' LYS . 34.2 p -86.86 8.57 22.36 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.249 1.42 . . . . 0.0 114.622 174.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -115.33 -14.88 11.63 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.676 1.19 . . . . 0.0 113.822 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.29 -146.25 24.85 Favored Glycine 0 CA--C 1.536 1.368 0 CA-C-N 120.917 1.689 . . . . 0.0 112.904 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.62 117.93 3.76 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.647 0.779 . . . . 0.0 112.004 176.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.505 HD13 ' HB2' ' B' ' 42' ' ' PHE . 8.7 tt -153.83 -23.51 0.14 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -174.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 4.0 m -58.2 -8.1 1.01 Allowed 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -169.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 34.1 p -142.55 163.6 37.94 Favored Pre-proline 0 N--CA 1.474 0.732 0 C-N-CA 127.573 2.349 . . . . 0.0 109.578 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -57.26 -49.25 14.48 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.074 1.849 . . . . 0.0 112.6 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.37 -38.54 84.23 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.912 0.885 . . . . 0.0 111.867 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.78 -60.62 3.54 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 122.867 0.467 . . . . 0.0 111.257 173.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 p -66.14 -39.02 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -171.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 44.0 mtt -77.72 -21.91 51.2 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -173.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.86 -19.6 19.17 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 124.357 0.979 . . . . 0.0 114.639 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -68.14 125.69 91.81 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 124.642 1.177 . . . . 0.0 113.811 -172.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -63.65 -39.07 36.98 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.136 2.558 . . . . 0.0 113.532 -171.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.414 ' HE3' ' O ' ' B' ' 44' ' ' SER . 44.1 tttp -63.96 -34.93 79.08 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.653 1.115 . . . . 0.0 113.102 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 63.3 t -65.18 -46.17 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.946 0.899 . . . . 0.0 110.7 169.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -64.49 -40.05 94.94 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.169 0.895 . . . . 0.0 112.252 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.88 -33.71 72.59 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.569 1.548 . . . . 0.0 114.044 175.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.2 -38.67 82.22 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.404 -1.435 . . . . 0.0 111.022 164.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.18 -51.06 32.1 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 125.165 1.364 . . . . 0.0 113.445 168.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -52.92 -40.55 63.66 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.329 1.452 . . . . 0.0 113.204 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -52.09 11.23 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.756 0.822 . . . . 0.0 112.473 -178.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 16.5 m -56.7 -40.78 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 CA-C-N 119.545 1.066 . . . . 0.0 111.433 174.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tt -84.51 -35.1 23.15 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.032 -1.043 . . . . 0.0 112.905 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.09 -40.19 82.33 Favored Glycine 0 CA--C 1.535 1.31 0 O-C-N 121.235 -0.916 . . . . 0.0 112.002 165.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.89 -46.54 74.59 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.837 -0.802 . . . . 0.0 112.859 170.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -54.27 -33.62 59.03 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 121.147 1.794 . . . . 0.0 112.528 170.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -41.19 74.95 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 170.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -55.01 -33.3 62.5 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.799 1.181 . . . . 0.0 111.697 169.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.14 -63.72 4.92 Favored Glycine 0 C--N 1.339 0.729 0 CA-C-O 119.275 -0.736 . . . . 0.0 111.38 166.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.5 mt -53.14 -22.08 5.85 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.2 -25.5 25.61 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.726 1.61 . . . . 0.0 114.886 174.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -144.34 43.96 1.41 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.631 1.572 . . . . 0.0 112.824 -170.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.54 -18.76 32.04 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.43 -38.37 71.5 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.241 1.416 . . . . 0.0 114.084 176.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -158.04 90.65 1.07 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.967 0.907 . . . . 0.0 112.706 177.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.8 mt -65.55 -27.07 68.17 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -67.36 4.28 1.03 Allowed 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 -174.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -122.01 -42.02 0.46 Allowed Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.736 1.636 . . . . 0.0 112.999 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 5.7 p -71.11 -24.84 62.37 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.382 1.091 . . . . 0.0 113.562 173.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -106.37 -3.52 20.99 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.45 -41.28 65.95 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 120.212 1.369 . . . . 0.0 114.51 -171.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 14.9 p -64.94 -34.59 78.77 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.371 1.068 . . . . 0.0 112.695 173.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 43.4 mt -74.49 -37.38 63.18 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.534 1.134 . . . . 0.0 111.286 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -60.98 -44.61 97.13 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.457 1.026 . . . . 0.0 111.017 169.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -60.17 -38.86 84.46 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.666 0.786 . . . . 0.0 112.01 171.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.1 tp -69.4 -57.54 5.15 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.211 -0.93 . . . . 0.0 111.809 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -73.52 -12.54 60.81 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -176.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 79.4 m -109.72 -90.51 0.47 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.126 0.971 . . . . 0.0 110.5 167.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -51.7 -34.59 39.36 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -166.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -86.92 -53.31 4.97 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.306 1.042 . . . . 0.0 113.627 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 51.6 mt -105.48 -33.24 8.19 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.061 1.344 . . . . 0.0 113.176 -170.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 42.04 30.84 0.2 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 128.039 2.536 . . . . 0.0 115.516 -174.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -57.8 145.99 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 121.284 -0.885 . . . . 0.0 110.687 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -58.66 130.66 85.43 Favored Pre-proline 0 CA--C 1.547 0.855 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -160.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -62.85 -37.46 54.91 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 122.53 2.153 . . . . 0.0 114.367 -164.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.81 -28.04 5.82 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 120.404 -1.435 . . . . 0.0 114.364 171.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.84 -34.86 76.72 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.18 -0.95 . . . . 0.0 112.114 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' PHE . . . . . 0.574 ' CE1' ' HB1' ' B' ' 138' ' ' ALA . 1.4 p90 -64.45 -40.91 96.62 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.776 1.625 . . . . 0.0 111.053 175.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -63.41 -47.14 83.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.035 0.534 . . . . 0.0 109.698 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 96.8 mt -56.08 -49.16 74.58 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.92 174.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.66 -43.32 97.77 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.608 1.095 . . . . 0.0 110.859 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.99 -56.03 27.38 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.262 0.934 . . . . 0.0 113.91 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.91 -40.36 88.58 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.212 1.006 . . . . 0.0 111.086 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 14.3 t -59.91 -42.47 89.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 118.421 -0.8 . . . . 0.0 112.443 175.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.402 ' O ' HG12 ' B' ' 113' ' ' VAL . 6.9 tp -57.0 -52.98 63.11 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 118.722 0.692 . . . . 0.0 110.809 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.413 HG12 ' HB3' ' B' ' 130' ' ' TYR . 0.9 OUTLIER -54.93 -39.55 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 118.473 0.578 . . . . 0.0 109.809 -177.605 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 11.0 t -73.18 -33.12 65.25 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' VAL . . . . . 0.61 HG11 ' HB2' ' B' ' 27' ' ' ALA . 1.9 p -61.94 -37.26 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 121.291 1.86 . . . . 0.0 111.747 171.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 mt -63.89 -35.93 82.25 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.812 -0.555 . . . . 0.0 110.073 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.33 -34.02 74.02 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 170.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -59.01 -60.33 4.05 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 120.641 1.564 . . . . 0.0 110.268 168.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -71.22 -26.27 62.86 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -167.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -130.34 40.47 3.52 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.609 1.164 . . . . 0.0 112.381 -176.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -55.55 -5.34 0.79 Allowed Glycine 0 CA--C 1.541 1.69 0 C-N-CA 126.505 2.002 . . . . 0.0 117.328 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -84.96 -21.71 29.46 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.833 1.317 . . . . 0.0 113.264 170.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -135.64 6.01 3.19 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.777 1.631 . . . . 0.0 113.17 -170.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -61.64 30.03 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 128.907 2.883 . . . . 0.0 116.98 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 16.3 p -42.41 148.15 0.54 Allowed Pre-proline 0 N--CA 1.481 1.121 0 C-N-CA 125.74 1.616 . . . . 0.0 115.211 -167.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -43.93 -46.75 10.64 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 122.591 2.194 . . . . 0.0 114.633 172.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.6 -32.58 18.96 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.724 1.616 . . . . 0.0 114.773 173.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.53 -39.56 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-N 122.25 2.296 . . . . 0.0 112.061 177.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -63.32 -41.58 98.92 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.286 0.634 . . . . 0.0 110.808 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.75 -41.1 96.16 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 173.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 129' ' ' ALA . . . . . 0.493 ' HB2' ' HG2' ' B' ' 7' ' ' GLU . . . -59.18 -47.76 84.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 119.233 0.924 . . . . 0.0 111.962 172.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.425 ' CE2' HG23 ' B' ' 11' ' ' VAL . 10.8 m-85 -52.08 -50.33 61.78 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 118.865 -0.588 . . . . 0.0 111.026 167.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -57.14 -38.18 73.11 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.543 1.065 . . . . 0.0 113.357 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -72.31 -44.02 63.32 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.617 1.553 . . . . 0.0 112.268 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 23.0 m -63.1 -38.57 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 119.921 1.237 . . . . 0.0 110.992 172.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 22.4 t -61.12 -43.29 96.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 124.962 1.305 . . . . 0.0 111.849 172.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -70.08 -34.67 73.47 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.633 1.106 . . . . 0.0 112.477 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.05 -49.19 77.59 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 121.392 -0.818 . . . . 0.0 111.357 167.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 22.6 t -56.83 -46.07 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.755 0.822 . . . . 0.0 112.192 175.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 138' ' ' ALA . . . . . 0.574 ' HB1' ' CE1' ' B' ' 103' ' ' PHE . . . -51.54 -54.89 22.64 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.533 1.133 . . . . 0.0 111.971 173.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -58.79 -39.85 82.31 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 176.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.34 -50.43 67.78 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.845 0.748 . . . . 0.0 112.321 177.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.68 -42.26 99.53 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.175 -0.953 . . . . 0.0 111.47 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.75 -11.52 37.32 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -62.71 -18.44 62.49 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 120.563 1.529 . . . . 0.0 114.264 -173.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -87.08 1.55 52.59 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.31 1.444 . . . . 0.0 113.906 171.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.555 1.172 0 C-N-CA 125.929 1.692 . . . . 0.0 114.768 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.269 5.7 p . . . . . 0 N--CA 1.508 2.464 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 57.7 mt -136.33 -172.48 3.15 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.499 1.5 . . . . 0.0 112.724 -174.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.39 158.68 60.59 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 126.902 2.081 . . . . 0.0 112.467 -172.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.02 -30.01 9.44 Favored 'Trans proline' 0 CA--C 1.537 0.637 0 C-N-CA 123.047 2.498 . . . . 0.0 113.616 -173.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.32 -33.03 55.62 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.643 -0.661 . . . . 0.0 112.547 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.69 -41.24 79.45 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.338 -0.851 . . . . 0.0 112.686 -173.038 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -58.26 -45.33 88.03 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 118.069 -0.967 . . . . 0.0 111.683 171.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 40.2 m -57.41 -45.86 84.14 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 120.08 1.309 . . . . 0.0 111.951 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -66.74 -39.63 88.01 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 178.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 58.0 t -73.62 -38.13 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.727 177.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -55.81 -48.29 75.67 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 120.181 1.355 . . . . 0.0 110.936 169.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.25 -52.36 65.66 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.233 0.613 . . . . 0.0 111.397 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.13 -48.8 77.76 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -64.09 -30.19 71.28 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.39 -43.66 94.6 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.733 1.159 . . . . 0.0 113.239 171.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -66.07 -37.13 85.04 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 118.288 1.044 . . . . 0.0 111.749 172.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.13 -49.79 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 124.915 1.286 . . . . 0.0 112.706 177.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.57 -145.44 6.36 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 123.947 0.784 . . . . 0.0 114.572 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.37 -22.8 54.94 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -67.28 -7.8 27.05 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 174.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.425 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -45.54 -43.02 11.54 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.769 1.227 . . . . 0.0 113.853 175.008 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.11 -37.18 92.83 Favored Glycine 0 CA--C 1.528 0.857 0 O-C-N 122.024 -0.422 . . . . 0.0 113.591 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -44.61 82.7 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.293 1.037 . . . . 0.0 111.081 174.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -63.58 -39.78 95.26 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.167 0.587 . . . . 0.0 112.035 175.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.97 -59.69 10.4 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 124.289 0.947 . . . . 0.0 111.621 169.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.47 -53.28 47.75 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.58 1.152 . . . . 0.0 112.903 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -61.23 -35.74 78.04 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 123.497 0.719 . . . . 0.0 112.166 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.439 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -60.57 -40.58 92.2 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 118.939 0.79 . . . . 0.0 111.971 175.117 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mt -65.77 -45.61 81.87 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.345 0.521 . . . . 0.0 111.045 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -57.21 -42.48 81.39 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.944 0.898 . . . . 0.0 109.961 177.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -44.59 93.82 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 117.045 -1.455 . . . . 0.0 111.529 174.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 45.2 mtm -56.99 -51.4 69.36 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 119.751 1.159 . . . . 0.0 112.262 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.33 -49.06 70.61 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.596 0.758 . . . . 0.0 110.363 -178.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 41.0 mt -71.0 -40.54 71.76 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.26 0.624 . . . . 0.0 111.835 -177.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 93.2 p -82.2 -30.88 30.64 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -172.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -142.8 66.9 17.99 Favored Pre-proline 0 CA--C 1.542 0.635 0 C-N-CA 125.329 1.452 . . . . 0.0 109.598 -167.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -48.28 -26.92 8.93 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 124.918 3.745 . . . . 0.0 116.002 -169.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -37.16 -44.58 0.57 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 127.362 2.265 . . . . 0.0 113.291 166.159 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 5.0 t -58.12 -34.48 70.28 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -178.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -58.88 -22.38 59.16 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.363 1.465 . . . . 0.0 113.33 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -51.87 -28.65 16.76 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 173.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -57.99 -19.26 29.45 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 56.71 64.52 4.61 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 125.468 1.507 . . . . 0.0 112.562 -176.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -53.84 157.65 9.93 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 C-N-CA 122.897 2.398 . . . . 0.0 113.518 173.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -79.8 1.37 27.07 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -124.95 177.54 5.99 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.455 1.502 . . . . 0.0 114.014 -168.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -118.67 154.12 33.23 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.65 1.98 . . . . 0.0 111.327 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 20.4 mt -116.19 23.27 12.28 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.502 1.121 . . . . 0.0 112.8 -161.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 16.8 m -65.3 21.21 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 128.943 2.897 . . . . 0.0 117.539 -166.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 m80 58.16 144.0 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.934 2.494 . . . . 0.0 114.044 -160.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.4 22.44 61.23 Favored Glycine 0 CA--C 1.543 1.798 0 O-C-N 121.264 -0.897 . . . . 0.0 115.024 -176.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 48.1 t -65.46 115.06 5.31 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.017 1.327 . . . . 0.0 113.56 -170.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -40.26 76.1 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.733 1.213 . . . . 0.0 113.437 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -62.51 -41.02 98.56 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.655 -0.653 . . . . 0.0 111.888 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 41.2 t -65.99 -35.21 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 123.332 0.653 . . . . 0.0 111.111 177.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -62.78 -51.65 66.25 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 119.596 1.089 . . . . 0.0 111.634 171.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.38 -42.66 99.83 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 123.974 0.797 . . . . 0.0 112.818 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -63.74 -45.31 90.46 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.694 -0.886 . . . . 0.0 111.897 171.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.75 -45.9 68.42 Favored Glycine 0 CA--C 1.534 1.226 0 O-C-N 121.178 -0.951 . . . . 0.0 113.375 173.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -56.55 -43.83 80.29 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.564 1.146 . . . . 0.0 111.699 172.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -63.44 -47.49 81.66 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.003 0.921 . . . . 0.0 112.86 175.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 91.7 t -54.84 -44.94 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 119.043 0.838 . . . . 0.0 110.757 172.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 63' ' ' ALA . . . . . 0.425 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -63.06 -47.02 84.71 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 176.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -59.88 -39.04 83.96 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.654 1.116 . . . . 0.0 112.119 175.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 65' ' ' ALA . . . . . 0.405 ' HB1' HD11 ' C' ' 83' ' ' LEU . . . -61.55 -44.25 97.37 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 170.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -39.47 88.6 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.422 -0.799 . . . . 0.0 111.849 172.397 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 85.1 m -59.58 -46.64 88.32 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.873 -1.142 . . . . 0.0 111.566 170.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -27.81 68.07 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.545 1.066 . . . . 0.0 112.455 177.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.57 -49.76 65.32 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 119.489 1.041 . . . . 0.0 110.758 166.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 77.4 t -55.32 -37.38 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 119.961 1.255 . . . . 0.0 111.833 176.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.75 -25.38 67.9 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -145.41 22.64 1.49 Allowed 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -163.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.468 HG21 ' CE2' ' C' ' 128' ' ' PHE . 3.1 p -60.34 -24.64 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 CA-C-N 122.264 2.302 . . . . 0.0 115.946 -156.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.61 -6.71 57.35 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 120.558 -1.339 . . . . 0.0 113.999 174.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -129.59 1.16 4.98 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 128.777 2.831 . . . . 0.0 112.804 -172.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -69.81 -10.2 0.18 Allowed Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 118.203 2.668 . . . . 0.0 118.203 -178.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 77' ' ' PRO . . . . . 0.596 ' HA ' HG13 ' C' ' 135' ' ' VAL . 7.0 Cg_exo -38.74 -41.97 1.78 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 123.712 2.942 . . . . 0.0 117.002 176.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -101.47 -7.93 22.41 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 175.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.55 -22.8 56.73 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.398 -1.439 . . . . 0.0 113.11 175.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 17.6 mt -92.48 10.59 29.52 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 118.917 0.78 . . . . 0.0 112.954 170.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 39.0 m -56.88 -32.76 66.17 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.454 1.479 . . . . 0.0 114.218 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.78 -30.11 70.58 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 119.749 1.159 . . . . 0.0 112.891 171.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 83' ' ' LEU . . . . . 0.405 HD11 ' HB1' ' C' ' 65' ' ' ALA . 8.3 mt -82.56 -36.79 25.94 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.597 1.159 . . . . 0.0 111.208 177.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 17.6 t -59.82 -41.95 92.43 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 122.196 -0.315 . . . . 0.0 111.341 167.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.5 -47.82 84.48 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.495 1.118 . . . . 0.0 112.11 173.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 tp -47.7 -52.43 18.38 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.144 0.884 . . . . 0.0 111.741 166.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -34.93 76.07 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -174.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.75 -26.28 17.81 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -175.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -104.46 -10.59 17.58 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.14 1.376 . . . . 0.0 113.251 -174.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -123.97 -57.24 1.62 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -174.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 1.5 mp -136.51 -77.54 0.42 Allowed 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 116.258 -1.829 . . . . 0.0 114.282 175.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 147.52 69.02 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 130.992 3.717 . . . . 0.0 113.012 175.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 72.6 t -38.12 110.93 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 C-N-CA 126.592 1.957 . . . . 0.0 112.803 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -66.93 123.81 87.1 Favored Pre-proline 0 CA--C 1.54 0.587 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -172.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -63.25 -38.73 42.47 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.307 2.005 . . . . 0.0 112.156 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.91 -31.56 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 119.946 -1.721 . . . . 0.0 111.75 176.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -65.43 -30.07 70.83 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.226 0.921 . . . . 0.0 112.272 173.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -46.83 82.54 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.407 1.003 . . . . 0.0 111.786 172.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -57.2 -36.82 71.32 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.926 0.785 . . . . 0.0 111.811 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.42 -59.29 5.48 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.764 0.826 . . . . 0.0 109.274 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -38.24 72.28 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.829 0.852 . . . . 0.0 112.38 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 29.3 t -57.16 -57.14 13.91 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.686 1.194 . . . . 0.0 112.346 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -30.09 71.14 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.332 -0.855 . . . . 0.0 111.324 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 104' ' ' CYS . . . . . 0.439 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 78.8 m -69.81 -32.61 71.15 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 172.134 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.07 -48.01 59.58 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 119.862 1.21 . . . . 0.0 110.876 169.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 6.6 mt -50.3 -41.05 50.28 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.667 -0.646 . . . . 0.0 111.708 171.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 4.0 t -57.41 -53.18 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 169.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 4.3 p -69.02 -30.81 69.25 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.359 0.981 . . . . 0.0 112.742 -177.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.55 -49.41 54.63 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.944 0.793 . . . . 0.0 110.569 173.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.63 -33.18 60.18 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 172.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.5 -9.12 46.91 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 176.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -131.51 -31.72 1.57 Allowed 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -176.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 9.3 mp -83.4 172.99 8.11 Favored Pre-proline 0 CA--C 1.56 1.341 0 C-N-CA 124.308 1.043 . . . . 0.0 110.904 176.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -58.71 -138.89 0.0 OUTLIER 'Trans proline' 0 CA--C 1.55 1.32 1 C-N-CA 125.817 4.345 . . . . 0.0 114.926 167.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.76 39.32 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.706 2.003 . . . . 0.0 115.222 175.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -38.43 -28.89 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 130.369 3.468 . . . . 0.0 115.679 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -72.0 8.52 1.22 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.721 2.008 . . . . 0.0 116.414 171.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.24 159.4 1.55 Allowed Pre-proline 0 N--CA 1.493 1.717 0 CA-C-N 121.478 1.944 . . . . 0.0 113.197 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -56.05 -44.59 45.48 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 122.059 1.839 . . . . 0.0 112.86 171.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.16 -59.64 3.88 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 119.366 -0.349 . . . . 0.0 110.353 174.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 24.4 t -68.16 -43.88 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 120.321 -1.487 . . . . 0.0 113.184 -171.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -69.8 -48.49 58.94 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 120.024 1.284 . . . . 0.0 112.323 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.47 -43.36 84.0 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 119.852 1.205 . . . . 0.0 110.616 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 54.6 m -62.34 -51.85 66.01 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.468 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.8 -42.0 95.36 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 120.537 1.517 . . . . 0.0 112.757 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.35 -50.48 73.51 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 120.091 1.314 . . . . 0.0 111.816 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 -29.1 59.87 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 128' ' ' PHE . . . . . 0.468 ' CE2' HG21 ' C' ' 73' ' ' VAL . 5.7 t80 -70.16 -46.14 65.31 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.576 1.08 . . . . 0.0 110.896 172.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.99 -37.13 81.42 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.396 -1.44 . . . . 0.0 110.413 172.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.55 96.34 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.817 1.044 . . . . 0.0 113.817 171.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 95.3 p -67.38 -40.48 85.72 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 120.413 1.461 . . . . 0.0 111.891 176.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 45.5 t -52.57 -49.37 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.641 1.177 . . . . 0.0 109.701 169.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 30.6 t -57.83 -54.58 45.25 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 172.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 96.9 m -51.38 -34.3 33.68 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.471 1.032 . . . . 0.0 112.247 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 135' ' ' VAL . . . . . 0.596 HG13 ' HA ' ' C' ' 77' ' ' PRO . 58.1 t -79.37 -42.58 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 123.715 0.806 . . . . 0.0 112.961 173.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -32.49 66.01 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.129 -1.607 . . . . 0.0 112.794 173.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 44.5 p -97.57 -1.37 44.04 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.658 1.983 . . . . 0.0 112.724 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 N--CA 1.472 0.636 0 CA-C-N 120.609 1.55 . . . . 0.0 113.81 177.397 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.314 2.4 p . . . . . 0 N--CA 1.514 2.738 0 CA-C-O 117.571 -1.204 . . . . 0.0 112.964 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 27.57 80.07 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 127.851 2.46 . . . . 0.0 116.585 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 mt -57.5 163.44 2.39 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.037 1.335 . . . . 0.0 111.961 174.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.31 156.45 81.44 Favored Pre-proline 0 N--CA 1.485 1.283 0 CA-C-O 118.453 -0.784 . . . . 0.0 109.5 161.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -57.05 -45.83 33.13 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 122.661 2.241 . . . . 0.0 114.754 175.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.58 -35.33 77.23 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.294 -0.879 . . . . 0.0 111.986 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 7' ' ' GLU . . . . . 0.489 ' HG2' ' HB2' ' D' ' 129' ' ' ALA . 7.9 tt0 -69.3 -40.85 77.45 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.263 1.025 . . . . 0.0 111.022 176.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -60.45 -45.19 94.57 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.879 1.272 . . . . 0.0 111.587 171.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 34.0 t -54.47 -48.06 72.24 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 122.924 0.49 . . . . 0.0 110.764 175.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.25 -53.11 62.02 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 11' ' ' VAL . . . . . 0.427 HG23 ' CE2' ' D' ' 130' ' ' TYR . 6.3 p -65.59 -42.82 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 119.865 1.211 . . . . 0.0 111.781 -176.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -76.8 -31.32 56.88 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 118.414 0.552 . . . . 0.0 111.752 -175.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.4 -40.84 77.11 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.48 -1.387 . . . . 0.0 112.585 171.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tt -67.72 -29.5 68.75 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.159 -0.963 . . . . 0.0 111.635 173.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -64.95 -45.17 86.85 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.374 0.669 . . . . 0.0 112.08 164.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.6 -35.83 57.79 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.381 1.467 . . . . 0.0 115.007 -176.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -89.91 -10.59 44.61 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 174.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.75 135.67 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 123.917 0.887 . . . . 0.0 111.955 -169.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -83.01 80.96 8.88 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 172.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 46.7 t -50.22 -40.27 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 124.452 1.101 . . . . 0.0 113.653 -168.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.32 -35.56 73.72 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.867 0.867 . . . . 0.0 113.245 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -90.3 -49.68 6.4 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.36 -0.837 . . . . 0.0 111.311 -175.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 23' ' ' VAL . . . . . 0.433 HG22 HG13 ' D' ' 113' ' ' VAL . 0.5 OUTLIER -59.64 -35.1 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 123.559 0.744 . . . . 0.0 110.843 169.053 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.18 -46.95 67.15 Favored Glycine 0 N--CA 1.468 0.773 0 CA-C-N 119.934 1.243 . . . . 0.0 111.695 176.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.61 -44.13 95.76 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 117.573 0.686 . . . . 0.0 112.744 172.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -65.75 -34.76 78.92 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 124.104 0.962 . . . . 0.0 112.671 174.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 27' ' ' ALA . . . . . 0.609 ' HB2' HG11 ' D' ' 113' ' ' VAL . . . -65.59 -54.54 26.36 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.57 1.532 . . . . 0.0 109.925 176.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 28' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' D' ' 28' ' ' LEU . 8.3 tp -68.65 -40.87 80.03 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.17 -174.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.33 -58.67 7.79 Favored Glycine 0 N--CA 1.469 0.845 0 CA-C-O 119.031 -0.871 . . . . 0.0 112.421 163.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 -49.44 -31.92 10.8 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.587 1.555 . . . . 0.0 114.185 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tt -79.72 -51.07 9.67 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.251 1.387 . . . . 0.0 112.028 171.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 32' ' ' LEU . . . . . 0.426 ' HB3' HD11 ' D' ' 48' ' ' LEU . 6.3 mp -73.66 -14.58 61.18 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.399 -0.813 . . . . 0.0 111.842 -171.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 33' ' ' VAL . . . . . 0.401 ' C ' ' H ' ' D' ' 35' ' ' TYR . 34.9 m -85.67 -12.19 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -65.47 11.7 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 CA-C-N 122.13 2.241 . . . . 0.0 113.246 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 35' ' ' TYR . . . . . 0.401 ' H ' ' C ' ' D' ' 33' ' ' VAL . 1.5 t80 36.47 41.37 0.24 Allowed Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 128.554 2.742 . . . . 0.0 114.401 -157.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -76.52 165.04 29.71 Favored 'Trans proline' 0 C--N 1.357 1.026 0 C-N-CA 121.62 1.547 . . . . 0.0 109.968 -174.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 31.7 p90 -51.62 -30.24 20.61 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.233 -0.917 . . . . 0.0 112.349 166.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -31.32 27.9 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.993 1.317 . . . . 0.0 114.057 172.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -59.41 -19.53 47.94 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.823 1.192 . . . . 0.0 113.237 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -62.88 -16.85 60.43 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 120.328 -1.482 . . . . 0.0 113.884 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.32 -1.29 57.94 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 172.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 42' ' ' PHE . . . . . 0.519 ' HB2' HD13 ' D' ' 48' ' ' LEU . 1.6 p90 -62.91 -9.9 11.48 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 117.081 2.252 . . . . 0.0 117.081 -163.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -51.7 -26.3 9.03 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 44' ' ' SER . . . . . 0.417 ' O ' ' HE3' ' D' ' 59' ' ' LYS . 34.0 p -86.74 8.47 22.49 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.278 1.431 . . . . 0.0 114.688 174.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -115.35 -14.97 11.6 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.639 1.175 . . . . 0.0 113.815 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.3 -146.27 24.85 Favored Glycine 0 CA--C 1.535 1.322 0 CA-C-N 120.709 1.595 . . . . 0.0 112.865 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.61 117.79 3.65 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.692 0.797 . . . . 0.0 112.04 176.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 48' ' ' LEU . . . . . 0.519 HD13 ' HB2' ' D' ' 42' ' ' PHE . 8.7 tt -153.63 -23.55 0.14 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -174.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 4.0 m -58.32 -7.91 1.0 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 116.38 1.992 . . . . 0.0 116.38 -169.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 50' ' ' THR . . . . . 0.402 ' HB ' ' HD2' ' D' ' 51' ' ' PRO . 34.4 p -142.8 163.68 36.95 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 127.561 2.345 . . . . 0.0 109.453 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 51' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' D' ' 50' ' ' THR . 5.6 Cg_endo -57.36 -49.26 14.28 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 121.973 1.782 . . . . 0.0 112.649 176.299 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.38 -38.51 84.15 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.9 0.88 . . . . 0.0 111.958 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.67 -60.72 3.38 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.88 0.472 . . . . 0.0 111.284 173.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 1.3 p -66.14 -39.01 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -171.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 44.2 mtt -77.62 -22.0 51.42 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -173.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.63 -19.73 19.31 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.364 0.983 . . . . 0.0 114.481 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -68.14 125.73 91.85 Favored Pre-proline 0 CA--C 1.548 0.893 0 CA-C-N 118.57 1.185 . . . . 0.0 113.835 -172.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.75 -38.91 37.02 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.079 2.519 . . . . 0.0 113.61 -171.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 59' ' ' LYS . . . . . 0.417 ' HE3' ' O ' ' D' ' 44' ' ' SER . 44.0 tttp -63.99 -35.0 79.28 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.621 1.101 . . . . 0.0 113.146 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 64.6 t -64.96 -46.37 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.914 0.885 . . . . 0.0 110.695 169.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -64.31 -40.03 95.11 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 119.171 0.896 . . . . 0.0 112.42 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.9 -33.6 72.4 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.435 1.494 . . . . 0.0 114.203 175.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.13 -38.72 82.52 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.472 -1.392 . . . . 0.0 111.165 164.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.13 -51.04 31.92 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.205 1.383 . . . . 0.0 113.416 168.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -52.94 -40.5 63.7 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.297 1.439 . . . . 0.0 113.232 171.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -51.95 11.5 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.715 0.806 . . . . 0.0 112.473 -178.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 16.7 m -56.87 -40.58 72.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 CA-C-N 119.533 1.06 . . . . 0.0 111.389 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tt -84.73 -35.1 22.7 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.964 -1.085 . . . . 0.0 112.756 -175.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.09 -40.39 82.96 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 121.424 -0.798 . . . . 0.0 111.852 165.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.73 -46.57 75.02 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 117.835 0.818 . . . . 0.0 112.986 170.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -54.23 -33.69 58.95 Favored 'General case' 0 CA--C 1.556 1.194 0 CA-C-N 121.002 1.728 . . . . 0.0 112.586 170.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -41.18 75.26 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 170.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -55.21 -33.15 62.82 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.748 1.158 . . . . 0.0 111.72 169.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.07 -63.96 4.71 Favored Glycine 0 C--N 1.338 0.676 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 166.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.5 mt -53.08 -21.97 5.42 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.18 -25.59 25.59 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.821 1.648 . . . . 0.0 114.93 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -144.29 44.01 1.42 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.537 1.535 . . . . 0.0 112.902 -170.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.64 -18.64 32.24 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.36 -38.56 71.57 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.212 1.405 . . . . 0.0 114.085 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -157.97 90.76 1.08 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.928 0.891 . . . . 0.0 112.77 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 71.4 mt -65.55 -27.06 68.17 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -67.33 4.34 1.0 Allowed 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -174.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -122.0 -42.23 0.45 Allowed Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.738 1.637 . . . . 0.0 112.98 176.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 5.8 p -70.96 -24.97 62.52 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.352 1.076 . . . . 0.0 113.481 173.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -106.19 -3.72 21.05 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.42 -41.18 65.76 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 120.099 1.318 . . . . 0.0 114.522 -171.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 15.0 p -64.89 -34.61 78.79 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.325 1.05 . . . . 0.0 112.788 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 43.3 mt -74.35 -37.6 63.46 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.455 1.102 . . . . 0.0 111.286 175.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -60.8 -44.68 96.54 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.391 0.996 . . . . 0.0 111.045 170.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -60.22 -38.77 84.4 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.621 0.768 . . . . 0.0 111.971 171.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 15.1 tp -69.36 -57.52 5.19 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.087 -1.008 . . . . 0.0 111.87 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -73.7 -12.44 60.73 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -176.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 78.4 m -109.7 -90.35 0.47 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.032 0.933 . . . . 0.0 110.538 167.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -51.7 -34.61 39.44 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 116.196 1.925 . . . . 0.0 116.196 -167.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -87.02 -53.24 4.98 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.381 1.072 . . . . 0.0 113.77 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 52.4 mt -105.44 -33.24 8.2 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.067 1.347 . . . . 0.0 113.223 -170.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 41.94 31.02 0.2 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 128.152 2.581 . . . . 0.0 115.437 -174.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -57.72 145.85 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 O-C-N 121.267 -0.896 . . . . 0.0 110.772 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -58.57 130.6 85.09 Favored Pre-proline 0 CA--C 1.549 0.927 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -160.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.73 -37.45 56.35 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 122.572 2.182 . . . . 0.0 114.354 -164.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.97 -27.9 6.06 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.369 -1.457 . . . . 0.0 114.381 171.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.9 -34.97 77.01 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.147 -0.971 . . . . 0.0 112.06 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 103' ' ' PHE . . . . . 0.572 ' CE1' ' HB1' ' D' ' 138' ' ' ALA . 1.3 p90 -64.25 -41.19 97.06 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.791 1.632 . . . . 0.0 111.065 175.307 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -63.3 -47.1 83.68 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.973 0.509 . . . . 0.0 109.819 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 96.8 mt -56.03 -49.25 74.22 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.826 174.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -43.37 98.15 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.566 1.075 . . . . 0.0 110.74 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.67 -56.21 26.33 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 124.217 0.913 . . . . 0.0 113.986 176.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.91 -40.35 88.51 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.179 0.99 . . . . 0.0 111.036 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 13.7 t -59.89 -42.51 89.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 118.499 -0.762 . . . . 0.0 112.512 175.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 6.9 tp -57.16 -52.57 64.76 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 118.608 0.64 . . . . 0.0 110.637 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 111' ' ' VAL . . . . . 0.416 HG12 ' HB3' ' D' ' 130' ' ' TYR . 0.9 OUTLIER -55.33 -39.09 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 CA-C-N 118.575 0.625 . . . . 0.0 109.826 -177.611 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 10.6 t -73.05 -33.33 65.63 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 113' ' ' VAL . . . . . 0.609 HG11 ' HB2' ' D' ' 27' ' ' ALA . 1.6 p -61.67 -37.6 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 121.136 1.789 . . . . 0.0 111.719 171.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 mt -64.11 -35.75 81.77 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.922 -0.486 . . . . 0.0 110.076 177.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.19 -34.26 74.63 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 170.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -59.15 -60.31 4.06 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 120.413 1.461 . . . . 0.0 110.198 168.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -71.09 -26.22 62.95 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -167.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -130.55 40.57 3.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.468 1.107 . . . . 0.0 112.271 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -55.5 -5.21 0.74 Allowed Glycine 0 CA--C 1.541 1.659 0 C-N-CA 126.369 1.938 . . . . 0.0 117.41 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -85.28 -21.72 28.89 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.732 1.266 . . . . 0.0 113.117 170.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -135.64 6.13 3.2 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.792 1.637 . . . . 0.0 113.174 -170.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -61.62 29.99 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 128.974 2.91 . . . . 0.0 117.027 176.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 16.2 p -42.31 147.9 0.55 Allowed Pre-proline 0 N--CA 1.482 1.136 0 C-N-CA 125.836 1.654 . . . . 0.0 115.263 -167.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -43.62 -46.89 9.94 Favored 'Trans proline' 0 CA--C 1.547 1.162 0 C-N-CA 122.687 2.258 . . . . 0.0 114.64 171.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.45 -32.91 18.91 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 121.706 1.604 . . . . 0.0 114.745 173.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.33 -39.57 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 122.288 2.313 . . . . 0.0 112.093 177.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -63.4 -41.56 98.75 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.261 0.624 . . . . 0.0 110.815 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.56 -41.21 96.47 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 173.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 129' ' ' ALA . . . . . 0.489 ' HB2' ' HG2' ' D' ' 7' ' ' GLU . . . -59.36 -47.58 84.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 119.139 0.882 . . . . 0.0 111.959 172.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 130' ' ' TYR . . . . . 0.427 ' CE2' HG23 ' D' ' 11' ' ' VAL . 10.6 m-85 -52.19 -50.25 62.25 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 118.826 -0.607 . . . . 0.0 111.043 167.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -57.29 -37.93 73.19 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.4 1.0 . . . . 0.0 113.508 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -72.33 -44.03 63.24 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 120.473 1.488 . . . . 0.0 112.359 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 23.1 m -63.23 -38.54 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 CA-C-N 119.822 1.192 . . . . 0.0 111.051 172.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 22.5 t -61.08 -43.27 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.972 1.309 . . . . 0.0 111.955 172.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.99 -34.99 74.04 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.569 1.077 . . . . 0.0 112.407 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -61.89 -49.09 79.21 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 121.445 -0.785 . . . . 0.0 111.365 167.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 22.3 t -56.9 -46.17 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 123.732 0.813 . . . . 0.0 112.187 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 138' ' ' ALA . . . . . 0.572 ' HB1' ' CE1' ' D' ' 103' ' ' PHE . . . -51.55 -54.71 24.58 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.356 1.063 . . . . 0.0 112.007 173.209 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -58.78 -39.97 82.61 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 176.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.44 -50.42 67.62 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.703 0.683 . . . . 0.0 112.331 177.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.59 -42.36 99.52 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.181 0.9 . . . . 0.0 111.549 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.45 -11.78 36.89 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -62.75 -18.26 62.3 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 120.423 1.465 . . . . 0.0 114.275 -173.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -87.29 1.78 52.18 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.324 1.45 . . . . 0.0 113.863 171.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -136.16 -18.16 1.56 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.858 1.663 . . . . 0.0 114.744 -177.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 79.2 m80 . . . . . 0 C--O 1.257 1.489 0 C-N-CA 128.354 2.662 . . . . 0.0 114.079 179.071 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.512 2.647 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mp -147.81 176.07 10.42 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 126.551 1.941 . . . . 0.0 111.408 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.76 151.48 71.09 Favored Pre-proline 0 N--CA 1.478 0.973 0 CA-C-N 119.289 0.95 . . . . 0.0 112.132 175.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -51.3 -43.12 51.12 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.162 3.241 . . . . 0.0 114.868 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.38 93.83 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.832 0.453 . . . . 0.0 111.457 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -58.08 -45.38 87.26 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 122.987 0.515 . . . . 0.0 110.805 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -58.92 -51.57 69.47 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.76 0.824 . . . . 0.0 109.956 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.1 m -57.13 -47.18 81.76 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.103 0.865 . . . . 0.0 112.041 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -61.83 -43.34 99.05 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.101 0.56 . . . . 0.0 111.606 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 36.5 t -63.25 -47.41 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.53 1.132 . . . . 0.0 112.217 175.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.64 -44.37 96.46 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.568 1.077 . . . . 0.0 111.07 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -52.21 66.59 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.113 0.565 . . . . 0.0 111.222 174.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.31 -52.36 63.72 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.0 0.92 . . . . 0.0 112.133 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -62.94 -29.24 70.64 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.661 0.785 . . . . 0.0 113.065 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.58 -41.91 99.66 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.494 1.045 . . . . 0.0 113.323 169.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -33.13 67.77 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.502 1.151 . . . . 0.0 111.898 172.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.84 -49.2 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 123.604 0.761 . . . . 0.0 111.489 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.48 -139.63 9.01 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 123.854 0.74 . . . . 0.0 113.844 -177.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.41 -21.13 59.5 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 114.468 1.285 . . . . 0.0 114.468 177.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -67.27 -10.25 48.81 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.35 -47.06 37.33 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.452 1.101 . . . . 0.0 113.501 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.27 -36.2 92.91 Favored Glycine 0 C--N 1.341 0.855 0 CA-C-O 119.742 -0.476 . . . . 0.0 113.169 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -62.27 -50.59 71.11 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.93 0.892 . . . . 0.0 110.451 172.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -63.98 -37.43 87.39 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 122.988 0.515 . . . . 0.0 111.977 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.52 -50.52 58.79 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 124.016 0.817 . . . . 0.0 112.814 172.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.36 -48.23 77.25 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.592 1.196 . . . . 0.0 111.568 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -62.26 -37.89 87.19 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.881 0.873 . . . . 0.0 112.851 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.03 -39.93 87.12 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 119.31 0.959 . . . . 0.0 111.964 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.4 mt -64.02 -51.05 66.03 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.978 0.911 . . . . 0.0 110.909 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.07 -50.11 73.77 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.678 0.391 . . . . 0.0 110.709 175.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -50.98 -48.6 61.13 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 117.832 -1.08 . . . . 0.0 111.732 173.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -55.62 -40.23 71.85 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.289 0.949 . . . . 0.0 112.938 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -66.4 -32.42 73.79 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.181 1.355 . . . . 0.0 114.292 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.424 ' H ' ' HG ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -90.91 -35.24 14.85 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 177.365 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.0 p -76.7 -34.72 58.15 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.41 1.084 . . . . 0.0 112.39 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.14 66.3 59.61 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.585 1.554 . . . . 0.0 109.506 -175.098 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -45.6 -28.48 4.38 Favored 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 124.534 3.49 . . . . 0.0 115.557 -171.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -41.27 -36.25 0.76 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.238 1.415 . . . . 0.0 113.804 170.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.6 p -65.45 -26.99 68.2 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 119.89 -1.756 . . . . 0.0 114.929 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -28.28 69.55 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 120.343 1.429 . . . . 0.0 112.143 168.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -23.23 67.24 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.328 1.051 . . . . 0.0 112.993 176.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -68.53 -7.81 35.73 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 173.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 t80 63.42 58.31 2.0 Allowed Pre-proline 0 CA--C 1.56 1.339 0 C-N-CA 124.97 1.308 . . . . 0.0 113.744 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -56.66 169.52 1.72 Allowed 'Trans proline' 0 CA--C 1.546 1.078 0 C-N-CA 123.943 3.095 . . . . 0.0 115.125 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -128.54 6.42 5.7 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.575 1.695 . . . . 0.0 115.575 -173.081 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -81.26 23.02 0.62 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -172.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.93 -39.91 0.27 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 128.362 2.665 . . . . 0.0 115.69 -173.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.0 mt 56.68 18.93 3.96 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 127.44 2.296 . . . . 0.0 114.911 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.9 m -70.38 20.99 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 127.484 2.314 . . . . 0.0 115.938 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 61.81 141.56 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 128.027 2.531 . . . . 0.0 113.723 -162.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.9 32.91 67.01 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.34 0.972 . . . . 0.0 114.612 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 t -53.24 121.23 7.14 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.574 1.15 . . . . 0.0 113.432 -172.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.17 -21.02 65.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.975 0.91 . . . . 0.0 113.17 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -80.83 -41.57 23.03 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.674 -0.641 . . . . 0.0 110.593 174.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.7 t -62.52 -43.88 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 O-C-N 121.446 -0.784 . . . . 0.0 111.964 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -61.5 -40.85 96.1 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 119.818 1.19 . . . . 0.0 112.512 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.66 -53.23 32.68 Favored Glycine 0 N--CA 1.47 0.924 0 C-N-CA 124.377 0.989 . . . . 0.0 111.583 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -52.24 -46.55 65.78 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.592 0.757 . . . . 0.0 111.481 172.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.11 -46.01 62.53 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.221 0.915 . . . . 0.0 114.282 173.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -37.36 78.39 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 119.205 1.502 . . . . 0.0 112.731 172.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -72.88 -42.92 63.12 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.603 0.761 . . . . 0.0 110.835 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.3 t -54.59 -47.09 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 119.346 0.976 . . . . 0.0 110.716 168.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.03 83.6 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -62.21 -38.31 88.64 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.967 0.803 . . . . 0.0 112.136 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.68 -38.36 87.5 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 170.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.76 -46.36 88.38 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.595 0.758 . . . . 0.0 111.303 170.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.8 m -57.28 -43.99 83.62 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.713 1.142 . . . . 0.0 112.011 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -60.17 -43.88 95.49 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.44 1.096 . . . . 0.0 111.397 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.81 -42.52 97.82 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 118.318 -0.849 . . . . 0.0 112.167 172.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.9 t -62.97 -46.6 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 119.994 1.27 . . . . 0.0 111.397 174.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.02 -28.07 69.32 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.304 1.441 . . . . 0.0 113.65 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -129.68 36.23 4.1 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 125.507 1.523 . . . . 0.0 111.689 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.5 p -66.64 -11.9 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 120.103 -1.623 . . . . 0.0 114.686 -171.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -88.5 -10.2 49.8 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 120.438 -1.414 . . . . 0.0 114.098 168.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -140.42 2.36 1.84 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.072 1.749 . . . . 0.0 114.191 -165.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . 0.328 0.0 OUTLIER -63.92 -17.29 0.4 Allowed Pre-proline 0 CA--C 1.545 0.777 0 CA-C-O 114.609 -2.615 . . . . 0.0 117.848 -177.664 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.482 ' HA ' HG13 ' A' ' 135' ' ' VAL . 4.4 Cg_exo -38.05 -29.44 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 124.995 3.797 . . . . 0.0 118.482 171.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -115.37 -16.12 11.48 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.01 -17.74 63.96 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 120.555 -1.341 . . . . 0.0 114.388 177.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.6 mt -100.28 10.21 41.56 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.937 0.895 . . . . 0.0 112.573 171.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.9 t -55.62 -41.51 73.6 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.394 1.078 . . . . 0.0 113.083 -178.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.3 -27.17 67.08 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.034 -1.041 . . . . 0.0 113.481 173.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mt -82.63 -38.84 22.96 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.865 0.866 . . . . 0.0 111.033 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.0 t -55.01 -44.93 75.02 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 119.301 -0.381 . . . . 0.0 110.811 162.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -61.14 -50.33 73.64 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.849 0.86 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.71 -38.07 80.62 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.326 -0.859 . . . . 0.0 112.023 175.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -68.05 -65.64 0.67 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.458 0.572 . . . . 0.0 109.987 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.77 -51.37 56.83 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.386 1.474 . . . . 0.0 113.033 -174.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -73.44 -3.83 29.9 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -174.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -139.63 -44.48 0.44 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -172.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.76 -41.84 0.28 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 -167.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 48.09 37.74 8.48 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.701 1.6 . . . . 0.0 114.284 165.228 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.4 t -56.08 139.68 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.675 1.19 . . . . 0.0 110.271 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.61 132.94 93.24 Favored Pre-proline 0 CA--C 1.544 0.712 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -173.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -39.6 -31.24 0.38 Allowed 'Trans proline' 0 C--N 1.353 0.784 1 C-N-CA 126.324 4.683 . . . . 0.0 117.765 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.0 t -44.1 -34.58 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 121.703 2.047 . . . . 0.0 112.734 171.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -56.89 -36.93 70.7 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 174.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 133' ' ' SER . 0.0 OUTLIER -54.69 -44.53 73.47 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 171.688 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -61.35 -36.76 81.09 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.444 0.698 . . . . 0.0 110.492 -170.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 mt -65.15 -55.37 19.05 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.388 1.475 . . . . 0.0 109.775 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -37.66 77.42 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.782 0.833 . . . . 0.0 111.366 177.06 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.3 m -73.49 -36.96 65.87 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.898 1.279 . . . . 0.0 114.227 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -56.4 -46.73 80.01 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.147 0.885 . . . . 0.0 110.548 162.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 74.3 m -62.91 -38.59 91.56 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.709 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.0 mt -57.5 -55.87 29.28 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 124.401 1.08 . . . . 0.0 110.349 168.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.3 mt -52.2 -38.56 58.27 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.851 1.205 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.2 t -58.93 -56.42 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.138 0.975 . . . . 0.0 112.348 169.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -36.18 81.43 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.433 1.015 . . . . 0.0 111.995 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.6 mt -59.52 -59.58 5.22 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 123.92 0.888 . . . . 0.0 108.614 172.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.09 -27.19 19.17 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.882 1.219 . . . . 0.0 114.276 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.15 -29.1 31.78 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 176.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -131.8 -18.28 2.74 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -166.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 tt -105.14 128.47 26.58 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 128.408 2.683 . . . . 0.0 106.655 173.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -69.83 74.44 1.32 Allowed 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 122.996 2.464 . . . . 0.0 110.681 170.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.36 -15.72 63.84 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.287 1.035 . . . . 0.0 112.545 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 56.94 9.62 0.65 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.932 1.693 . . . . 0.0 113.344 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 8.9 p90 44.0 24.53 0.08 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 128.666 2.786 . . . . 0.0 115.048 177.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.57 160.21 77.76 Favored Pre-proline 0 N--CA 1.468 0.465 0 C-N-CA 125.068 1.347 . . . . 0.0 111.088 -175.136 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -59.51 -44.81 29.77 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 121.843 1.695 . . . . 0.0 112.346 168.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.9 -49.03 76.8 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 117.98 0.354 . . . . 0.0 111.062 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.9 t -75.04 -50.68 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 120.661 -1.275 . . . . 0.0 112.31 -177.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -65.92 -41.2 91.68 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 120.625 -1.297 . . . . 0.0 111.557 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.56 -57.6 9.62 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.05 173.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 91.4 p -55.5 -43.48 75.7 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 117.155 -1.402 . . . . 0.0 112.714 -175.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.74 -49.28 66.48 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 120.574 1.534 . . . . 0.0 111.132 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -59.25 -50.57 73.51 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.555 1.07 . . . . 0.0 112.204 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -28.76 64.67 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -63.07 -49.04 76.08 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 119.73 1.15 . . . . 0.0 110.422 169.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.45 -33.38 75.44 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.194 0.906 . . . . 0.0 111.092 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.18 -39.54 86.82 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 119.632 1.106 . . . . 0.0 113.112 167.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.3 t -66.56 -45.28 79.87 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.727 -1.233 . . . . 0.0 112.655 173.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 64.0 t -54.08 -45.85 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.021 0.928 . . . . 0.0 109.899 171.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.432 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . 32.1 t -60.29 -54.6 43.84 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.667 1.187 . . . . 0.0 113.632 174.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 21.2 m -50.54 -42.27 55.0 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.531 1.06 . . . . 0.0 110.547 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.482 HG13 ' HA ' ' A' ' 77' ' ' PRO . 70.7 t -68.88 -47.14 77.56 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 118.316 -0.85 . . . . 0.0 112.801 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -29.19 65.48 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.627 1.558 . . . . 0.0 112.925 174.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 89.2 m -76.56 -15.21 59.91 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 128.042 2.537 . . . . 0.0 113.034 175.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.47 0.562 0 C-N-CA 125.273 1.429 . . . . 0.0 112.748 -173.068 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.32 3.5 p . . . . . 0 N--CA 1.516 2.864 0 CA-C-O 116.928 -1.511 . . . . 0.0 112.787 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 22.27 73.47 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 127.831 2.453 . . . . 0.0 115.227 -176.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.29 163.31 13.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.932 0.493 . . . . 0.0 111.731 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.56 152.03 90.48 Favored Pre-proline 0 N--CA 1.48 1.041 0 CA-C-O 118.504 -0.76 . . . . 0.0 109.581 166.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -53.51 -38.41 83.38 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.881 2.387 . . . . 0.0 114.658 173.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -71.79 -43.22 66.05 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.534 -0.729 . . . . 0.0 112.216 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.51 -42.87 95.54 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.679 -0.638 . . . . 0.0 111.364 175.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.09 -52.86 59.63 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.792 1.237 . . . . 0.0 110.827 170.06 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -54.19 -45.91 72.26 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 118.722 0.692 . . . . 0.0 111.353 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.04 -52.77 64.14 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.56 HG23 ' CE1' ' B' ' 130' ' ' TYR . 4.0 p -65.12 -50.16 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-N 119.76 1.164 . . . . 0.0 112.467 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -70.68 -36.07 73.14 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.167 0.894 . . . . 0.0 112.171 -172.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.26 -37.7 88.43 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.503 1.047 . . . . 0.0 111.989 172.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.92 -39.4 87.35 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.44 -0.788 . . . . 0.0 111.202 172.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -25.8 61.34 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 164.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.82 -38.89 85.83 Favored Glycine 0 CA--C 1.535 1.284 0 CA-C-N 118.847 0.749 . . . . 0.0 113.239 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -89.49 -19.4 25.12 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -53.6 133.73 16.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 124.34 1.056 . . . . 0.0 113.139 -169.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -87.19 85.03 7.17 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.937 0.895 . . . . 0.0 108.851 174.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.4 t -52.26 -35.56 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 124.305 1.042 . . . . 0.0 113.485 -169.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -44.09 86.41 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.944 1.297 . . . . 0.0 113.046 174.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -95.51 -38.39 10.46 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.658 -0.651 . . . . 0.0 111.444 -167.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -34.98 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 O-C-N 121.382 -0.824 . . . . 0.0 110.613 165.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.29 -46.81 67.79 Favored Glycine 0 N--CA 1.468 0.797 0 CA-C-O 119.478 -0.623 . . . . 0.0 111.61 174.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.32 -42.83 95.75 Favored Glycine 0 N--CA 1.47 0.931 0 CA-C-N 118.044 0.922 . . . . 0.0 113.746 170.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -64.5 -38.27 90.42 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 123.533 0.733 . . . . 0.0 112.195 173.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.95 -51.49 39.12 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 119.605 1.093 . . . . 0.0 111.801 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.449 HD21 ' CD2' ' B' ' 63' ' ' HIS . 1.0 OUTLIER -75.77 -22.44 56.43 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.37 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.576 ' O ' HG13 ' B' ' 33' ' ' VAL . . . -68.93 -58.93 6.32 Favored Glycine 0 N--CA 1.464 0.541 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 164.219 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.527 ' HA ' HG22 ' B' ' 33' ' ' VAL . 39.6 mtt180 -53.87 -33.98 58.03 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.65 -1.5 . . . . 0.0 112.623 176.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.457 ' HA ' HG21 ' B' ' 109' ' ' VAL . 58.9 tp -49.85 -39.77 40.19 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.504 1.122 . . . . 0.0 113.184 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.04 -11.19 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 118.624 -0.703 . . . . 0.0 112.217 -168.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.576 HG13 ' O ' ' B' ' 29' ' ' GLY . 15.2 m -62.34 -24.86 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 119.598 1.09 . . . . 0.0 111.8 166.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -58.68 1.53 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 173.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.69 38.19 0.45 Allowed Pre-proline 0 CA--C 1.557 1.22 0 C-N-CA 126.533 1.933 . . . . 0.0 114.397 -168.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -77.51 178.92 7.03 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 122.809 2.339 . . . . 0.0 110.733 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 13.9 p90 -50.09 -31.74 14.03 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 120.918 -1.114 . . . . 0.0 113.063 167.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.27 -25.12 61.41 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.855 1.262 . . . . 0.0 113.956 174.368 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -27.1 59.94 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.221 0.919 . . . . 0.0 111.153 173.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 ptt-85 -48.9 -38.91 24.06 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.925 1.239 . . . . 0.0 113.894 174.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.04 0.33 45.38 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.603 1.161 . . . . 0.0 112.087 -174.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.57 -35.2 40.16 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.528 -1.358 . . . . 0.0 114.513 177.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -59.92 -16.42 29.49 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 18.1 t -85.0 -23.44 28.67 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.756 ' HB2' HD11 ' B' ' 48' ' ' LEU . 12.0 m-85 -96.15 -2.59 46.11 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.893 -1.129 . . . . 0.0 113.344 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.1 31.51 75.06 Favored Glycine 0 N--CA 1.478 1.459 0 N-CA-C 116.321 1.288 . . . . 0.0 116.321 162.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.556 ' C ' HD12 ' B' ' 48' ' ' LEU . 0.5 OUTLIER -165.76 -129.6 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.85 1.66 . . . . 0.0 108.715 -172.797 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' B' ' 45' ' ' PHE . 0.2 OUTLIER 63.3 -8.06 0.15 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 127.855 2.462 . . . . 0.0 116.71 168.407 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 41.8 m -57.0 -18.41 13.57 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.302 1.841 . . . . 0.0 114.401 172.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.4 p -141.16 162.69 46.57 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 125.748 1.619 . . . . 0.0 110.78 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -55.48 -54.65 3.94 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.825 2.35 . . . . 0.0 112.082 172.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -61.74 -39.29 91.06 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.011 0.925 . . . . 0.0 111.853 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.07 -46.81 78.84 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 123.22 0.608 . . . . 0.0 110.913 173.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.467 HG11 ' CG1' ' B' ' 33' ' ' VAL . 0.3 OUTLIER -70.93 -46.56 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 119.964 1.256 . . . . 0.0 113.35 -178.644 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 1.7 mtt -70.43 -23.3 62.7 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.801 0.728 . . . . 0.0 112.037 -173.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.58 -11.0 49.01 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.884 1.231 . . . . 0.0 115.268 174.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -61.6 120.16 53.65 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-N 119.882 1.841 . . . . 0.0 111.658 -176.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -63.72 -24.76 68.84 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.91 2.407 . . . . 0.0 113.488 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -76.11 -47.27 25.06 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.029 1.286 . . . . 0.0 112.885 -178.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -66.4 -34.1 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 CA-C-N 119.264 0.938 . . . . 0.0 112.444 170.207 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -57.86 -57.51 12.47 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.465 1.03 . . . . 0.0 111.419 167.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.75 -50.84 69.31 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.414 1.486 . . . . 0.0 112.905 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' HIS . . . . . 0.449 ' CD2' HD21 ' B' ' 28' ' ' LEU . 0.9 OUTLIER -64.63 -33.98 77.2 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.53 -0.732 . . . . 0.0 111.674 174.786 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.79 -40.48 64.38 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 125.386 1.469 . . . . 0.0 112.815 168.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.28 -41.02 98.96 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.766 -0.844 . . . . 0.0 111.777 173.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -63.7 -52.41 60.69 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.443 0.697 . . . . 0.0 111.105 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 30.7 m -59.48 -46.93 92.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 122.591 0.356 . . . . 0.0 111.029 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.38 -38.26 68.53 Favored 'General case' 0 C--O 1.224 -0.275 0 O-C-N 121.26 -0.9 . . . . 0.0 111.768 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.07 -42.6 55.02 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.009 0.814 . . . . 0.0 111.64 172.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.97 -47.27 81.05 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 170.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.449 ' CE2' HD23 ' B' ' 110' ' ' LEU . 2.3 m-30 -55.46 -37.07 67.28 Favored 'General case' 0 CA--C 1.554 1.098 0 O-C-N 120.195 -1.566 . . . . 0.0 111.655 175.141 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.1 t -67.72 -42.89 81.24 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.335 1.454 . . . . 0.0 113.254 172.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -56.15 -31.58 63.48 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.01 0.823 . . . . 0.0 111.886 167.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.25 -61.97 6.35 Favored Glycine 0 C--N 1.337 0.637 0 C-N-CA 124.482 1.039 . . . . 0.0 110.986 169.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 mt -54.13 -27.81 35.76 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.88 -27.35 54.99 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 172.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -143.03 54.8 1.37 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.221 1.808 . . . . 0.0 112.477 -171.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.06 -11.49 59.09 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.809 -1.182 . . . . 0.0 113.813 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -59.29 -38.47 80.28 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.895 1.278 . . . . 0.0 113.661 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -153.91 107.47 2.96 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.537 1.535 . . . . 0.0 110.374 175.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.3 mt -83.01 -21.76 33.79 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 173.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -69.31 -7.59 38.46 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.575 -1.328 . . . . 0.0 113.888 -174.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -115.71 -46.42 0.56 Allowed Glycine 0 CA--C 1.536 1.367 0 C-N-CA 125.779 1.657 . . . . 0.0 113.577 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.2 p -60.67 -26.75 67.32 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 118.669 1.235 . . . . 0.0 113.386 173.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -108.55 -1.98 19.25 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 118.012 -0.994 . . . . 0.0 113.362 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.74 -38.8 67.58 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 120.637 1.562 . . . . 0.0 114.239 -174.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 6.5 p -64.38 -35.48 81.03 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.426 1.09 . . . . 0.0 112.666 172.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 45.3 mt -73.03 -39.63 65.8 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.821 0.848 . . . . 0.0 111.046 173.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.5 m -56.26 -47.86 77.71 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.827 -1.171 . . . . 0.0 111.077 171.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -62.41 -43.92 97.68 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.978 1.311 . . . . 0.0 112.83 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 44.6 tp -58.8 -53.06 62.6 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.29 -0.881 . . . . 0.0 111.84 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -77.12 6.06 7.16 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 18.8 p -119.63 -76.49 0.58 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.724 0.693 . . . . 0.0 110.988 161.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.38 -22.78 65.28 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 115.211 1.559 . . . . 0.0 115.211 -167.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.26 -28.6 11.79 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.159 0.984 . . . . 0.0 113.126 173.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 52.5 mt -142.11 38.05 1.58 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.703 1.201 . . . . 0.0 113.438 -163.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -6.07 -60.45 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 118.816 2.895 . . . . 0.0 118.816 -167.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 2.7 p 24.41 98.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 129.204 3.002 . . . . 0.0 116.089 173.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -9.48 110.41 0.04 OUTLIER Pre-proline 0 CA--C 1.553 1.088 0 C-N-CA 125.465 1.506 . . . . 0.0 114.861 155.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -53.2 -24.5 26.54 Favored 'Trans proline' 0 CA--C 1.547 1.147 0 C-N-CA 122.231 1.954 . . . . 0.0 114.494 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -46.29 -36.09 5.92 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 119.445 -2.034 . . . . 0.0 114.296 166.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -68.24 -27.45 66.36 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 117.549 -1.215 . . . . 0.0 114.214 174.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' PHE . . . . . 0.681 ' CE1' ' HB1' ' B' ' 138' ' ' ALA . 0.3 OUTLIER -60.4 -40.85 92.43 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 121.069 1.759 . . . . 0.0 109.355 166.11 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 104' ' ' ARG . . . . . 0.401 ' N ' ' CD1' ' B' ' 103' ' ' PHE . 31.0 ttp85 -71.77 -42.68 66.87 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.876 -0.515 . . . . 0.0 110.509 -168.095 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 mp -54.67 -46.3 74.04 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.606 166.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.28 -44.43 79.78 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.86 1.209 . . . . 0.0 112.028 176.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.64 -60.67 8.49 Favored Glycine 0 CA--C 1.523 0.59 0 C-N-CA 123.002 0.334 . . . . 0.0 113.371 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -56.21 -34.94 66.75 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.741 0.817 . . . . 0.0 112.484 178.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.457 HG21 ' HA ' ' B' ' 31' ' ' LEU . 43.0 t -71.09 -46.71 65.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 121.05 -1.031 . . . . 0.0 111.613 176.404 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.449 HD23 ' CE2' ' B' ' 71' ' ' PHE . 51.1 tp -58.22 -41.39 83.95 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.816 1.189 . . . . 0.0 111.439 -178.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 m -65.14 -30.55 50.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 121.21 -0.931 . . . . 0.0 111.659 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 29.6 t -71.95 -39.4 69.4 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.146 -0.971 . . . . 0.0 113.339 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -41.99 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 120.381 -1.449 . . . . 0.0 111.834 171.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.8 -39.7 89.89 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.288 0.495 . . . . 0.0 110.728 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.38 -28.94 63.64 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 169.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -79.15 -56.24 4.51 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 120.623 1.556 . . . . 0.0 112.849 171.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.09 -24.92 66.79 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -170.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -134.36 27.67 3.75 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.34 1.456 . . . . 0.0 112.503 -176.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -51.09 -39.88 42.59 Favored Glycine 0 N--CA 1.475 1.253 0 N-CA-C 116.806 1.482 . . . . 0.0 116.806 -168.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -67.52 -13.96 62.52 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -114.87 1.14 13.98 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.984 2.113 . . . . 0.0 111.313 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -94.21 68.04 3.62 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.083 1.353 . . . . 0.0 112.08 -174.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 30.8 p -57.73 156.69 16.99 Favored Pre-proline 0 N--CA 1.474 0.761 0 C-N-CA 124.364 1.065 . . . . 0.0 112.332 -175.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -46.46 -52.64 7.07 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 121.728 1.619 . . . . 0.0 113.226 168.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -64.35 -28.83 63.25 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 CA-C-O 116.673 -1.47 . . . . 0.0 114.231 177.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.5 -42.45 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 122.116 2.234 . . . . 0.0 110.977 174.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.16 -50.0 75.41 Favored 'General case' 0 N--CA 1.461 0.09 0 O-C-N 121.697 -0.627 . . . . 0.0 110.48 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.62 -23.33 66.79 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.65 -49.45 47.31 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.56 ' CE1' HG23 ' B' ' 11' ' ' VAL . 61.3 m-85 -53.81 -48.71 69.61 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.24 166.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -56.34 -36.99 69.37 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.716 1.144 . . . . 0.0 112.371 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -71.88 -43.32 65.62 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.967 1.258 . . . . 0.0 114.345 173.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.56 -45.76 90.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 CA-C-N 120.868 1.667 . . . . 0.0 109.96 173.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 50.2 t -78.65 -29.19 14.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 CA-C-O 117.51 -1.233 . . . . 0.0 112.192 -171.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.82 -36.22 83.64 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 121.121 1.782 . . . . 0.0 112.166 166.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -65.71 -49.44 59.55 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 121.04 -1.038 . . . . 0.0 112.358 168.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -44.23 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.331 1.053 . . . . 0.0 111.572 179.162 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 138' ' ' ALA . . . . . 0.681 ' HB1' ' CE1' ' B' ' 103' ' ' PHE . . . -51.44 -58.6 5.83 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 127.066 2.146 . . . . 0.0 112.091 170.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -57.55 -36.52 71.74 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.225 0.61 . . . . 0.0 112.119 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.36 75.12 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.724 -0.655 . . . . 0.0 112.572 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.78 -38.42 90.94 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 120.952 1.706 . . . . 0.0 111.848 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.91 -11.87 42.76 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.423 1.489 . . . . 0.0 113.896 171.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -57.03 -30.08 63.92 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 120.539 1.518 . . . . 0.0 113.609 -176.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -87.29 5.22 39.48 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 175.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.065 0 C-N-CA 126.395 1.878 . . . . 0.0 113.386 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.51 2.568 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mp -147.82 175.98 10.5 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 126.654 1.982 . . . . 0.0 111.363 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.64 151.57 71.53 Favored Pre-proline 0 N--CA 1.481 1.082 0 CA-C-N 119.11 0.868 . . . . 0.0 112.123 175.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.37 -42.98 52.28 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 124.046 3.164 . . . . 0.0 114.985 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.37 94.11 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.76 0.424 . . . . 0.0 111.443 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -58.01 -45.46 86.85 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 122.943 0.497 . . . . 0.0 110.807 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -58.99 -51.46 69.99 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.64 0.776 . . . . 0.0 109.888 176.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 58.5 m -57.29 -47.12 82.31 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.15 0.886 . . . . 0.0 112.004 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -61.82 -43.45 98.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.067 0.547 . . . . 0.0 111.539 177.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 37.1 t -63.13 -47.34 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 124.499 1.12 . . . . 0.0 112.283 175.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.79 -44.16 97.17 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.597 1.089 . . . . 0.0 111.142 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.4 -52.42 65.68 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.265 0.626 . . . . 0.0 111.203 174.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.24 -52.37 63.62 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.043 0.937 . . . . 0.0 112.138 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -63.07 -29.11 70.56 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.646 0.779 . . . . 0.0 113.02 177.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.74 -41.83 99.66 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.447 1.022 . . . . 0.0 113.245 169.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.99 -33.11 67.85 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 118.614 1.207 . . . . 0.0 111.805 172.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 97.7 t -60.99 -49.1 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.707 0.803 . . . . 0.0 111.515 174.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.54 -139.68 9.11 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 123.686 0.66 . . . . 0.0 113.869 -177.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.31 -21.35 59.59 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 177.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -67.05 -10.52 50.73 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.35 -47.0 37.4 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.297 1.039 . . . . 0.0 113.586 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.29 -36.05 92.73 Favored Glycine 0 N--CA 1.47 0.922 0 CA-C-O 119.81 -0.439 . . . . 0.0 113.177 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -62.49 -50.48 71.26 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.013 0.925 . . . . 0.0 110.347 172.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -64.16 -37.26 86.83 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 121.867 -0.521 . . . . 0.0 111.976 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.69 -50.43 58.81 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 123.987 0.804 . . . . 0.0 112.779 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.32 -48.08 77.44 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.613 1.206 . . . . 0.0 111.695 175.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -62.57 -37.73 87.31 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 123.843 0.857 . . . . 0.0 112.793 175.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.94 -40.12 87.48 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 119.432 1.015 . . . . 0.0 111.919 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 60.1 mt -64.0 -50.92 66.61 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.015 0.926 . . . . 0.0 110.883 175.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -50.15 73.61 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.861 0.464 . . . . 0.0 110.786 175.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -51.04 -48.61 61.46 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 117.837 -1.078 . . . . 0.0 111.735 173.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -55.75 -40.13 72.13 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.204 0.911 . . . . 0.0 112.901 177.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -66.38 -32.27 73.56 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 120.176 1.353 . . . . 0.0 114.324 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.443 ' H ' ' HG ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -91.1 -35.24 14.71 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 177.37 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 67.8 p -76.74 -34.72 58.08 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.455 1.102 . . . . 0.0 112.364 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.08 66.43 59.49 Favored Pre-proline 0 CA--C 1.54 0.593 0 C-N-CA 125.668 1.587 . . . . 0.0 109.513 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -45.66 -28.52 4.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 124.523 3.482 . . . . 0.0 115.669 -172.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -41.0 -36.35 0.65 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.242 1.417 . . . . 0.0 113.872 170.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 23.9 p -65.69 -26.89 67.98 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.022 -1.674 . . . . 0.0 114.739 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -28.14 69.49 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 120.389 1.45 . . . . 0.0 112.151 168.079 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -23.17 67.21 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.317 1.047 . . . . 0.0 112.976 176.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -68.51 -7.79 35.46 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 173.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 t80 63.29 58.43 2.05 Favored Pre-proline 0 CA--C 1.558 1.259 0 C-N-CA 124.998 1.319 . . . . 0.0 113.741 -177.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -56.73 169.58 1.73 Allowed 'Trans proline' 0 CA--C 1.546 1.092 0 C-N-CA 123.985 3.123 . . . . 0.0 115.117 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.41 6.26 5.77 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -173.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -81.35 23.12 0.63 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 -172.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.07 -40.09 0.28 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 128.333 2.653 . . . . 0.0 115.709 -173.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 31.6 mt 56.74 18.97 4.04 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.471 2.308 . . . . 0.0 114.832 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 17.0 m -70.29 20.9 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.365 2.266 . . . . 0.0 115.929 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 61.72 141.59 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 128.047 2.539 . . . . 0.0 113.819 -162.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.82 32.75 66.44 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 124.373 0.987 . . . . 0.0 114.677 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 14.0 t -53.22 121.07 6.8 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.511 1.124 . . . . 0.0 113.396 -173.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.75 -22.55 66.65 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.907 0.883 . . . . 0.0 113.076 172.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -79.3 -41.33 28.3 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.598 -0.688 . . . . 0.0 110.6 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 72.4 t -62.75 -43.91 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 121.383 -0.823 . . . . 0.0 111.944 173.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -61.74 -40.85 96.55 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 119.784 1.175 . . . . 0.0 112.273 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.49 -53.24 33.29 Favored Glycine 0 N--CA 1.47 0.944 0 C-N-CA 124.327 0.965 . . . . 0.0 111.563 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -52.37 -46.55 66.22 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.694 0.797 . . . . 0.0 111.426 172.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.99 -46.16 61.34 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.364 0.983 . . . . 0.0 114.292 173.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -37.26 78.13 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 119.184 1.492 . . . . 0.0 112.753 172.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -72.89 -43.03 62.98 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.633 0.773 . . . . 0.0 110.765 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 88.5 t -54.37 -47.28 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.42 1.009 . . . . 0.0 110.73 169.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.06 83.45 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.17 -38.26 88.37 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.014 0.825 . . . . 0.0 112.197 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.63 -38.44 87.66 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.686 -0.634 . . . . 0.0 112.606 170.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -46.3 88.59 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.585 0.754 . . . . 0.0 111.265 170.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 36.1 m -57.29 -44.02 83.69 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.781 1.173 . . . . 0.0 112.104 172.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -60.08 -44.0 95.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.442 1.097 . . . . 0.0 111.324 174.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.43 97.39 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 118.351 -0.833 . . . . 0.0 112.302 172.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.04 -46.52 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 119.969 1.258 . . . . 0.0 111.506 174.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.93 -28.23 69.38 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.366 1.466 . . . . 0.0 113.655 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -129.58 36.3 4.11 Favored 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 125.417 1.487 . . . . 0.0 111.733 -176.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 1.6 p -66.64 -11.96 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 119.985 -1.697 . . . . 0.0 114.732 -171.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -88.65 -9.96 50.27 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 120.407 -1.433 . . . . 0.0 114.088 168.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -140.44 2.28 1.83 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.154 1.782 . . . . 0.0 114.289 -165.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 76' ' ' MET . . . . . . . . . . . . 0.324 0.0 OUTLIER -63.98 -17.15 0.39 Allowed Pre-proline 0 CA--C 1.543 0.708 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 -177.681 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 77' ' ' PRO . . . . . 0.485 ' HA ' HG13 ' C' ' 135' ' ' VAL . 4.0 Cg_exo -38.18 -29.08 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.232 0 C-N-CA 124.96 3.773 . . . . 0.0 118.545 171.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -115.71 -15.93 11.3 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 171.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.94 -17.88 64.01 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.67 -1.269 . . . . 0.0 114.371 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 31.0 mt -100.22 10.21 41.59 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.807 0.843 . . . . 0.0 112.589 171.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 40.3 t -55.62 -41.42 73.46 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.302 1.041 . . . . 0.0 113.184 -178.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.28 -27.19 67.08 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.042 -1.036 . . . . 0.0 113.46 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.7 mt -82.64 -38.76 23.05 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.732 0.813 . . . . 0.0 111.031 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 18.7 t -55.1 -44.95 75.39 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 119.369 -0.348 . . . . 0.0 110.849 162.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -60.99 -50.44 73.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.907 0.883 . . . . 0.0 112.463 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.61 -38.24 80.77 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.312 -0.867 . . . . 0.0 111.993 175.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -67.8 -65.8 0.65 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.585 0.629 . . . . 0.0 109.96 176.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.86 -51.39 57.08 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.394 1.478 . . . . 0.0 112.934 -174.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -73.44 -3.87 30.1 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -174.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -139.52 -44.39 0.45 Allowed 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -172.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.83 -41.97 0.28 Allowed 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 -167.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 48.23 37.71 8.81 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.687 1.595 . . . . 0.0 114.271 165.169 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 72.1 t -56.05 139.74 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.644 1.177 . . . . 0.0 110.192 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.6 132.83 93.2 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -174.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -39.61 -31.14 0.38 Allowed 'Trans proline' 0 C--N 1.353 0.805 1 C-N-CA 126.257 4.638 . . . . 0.0 117.83 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 53.2 t -44.06 -34.58 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 CA-C-N 121.607 2.003 . . . . 0.0 112.791 171.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -56.94 -36.93 70.81 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 98' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' C' ' 133' ' ' SER . 0.0 OUTLIER -54.76 -44.49 73.68 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 171.713 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -61.27 -36.79 80.99 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.362 0.665 . . . . 0.0 110.606 -171.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.11 -55.28 19.67 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.383 1.473 . . . . 0.0 109.864 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -37.62 77.63 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.77 0.828 . . . . 0.0 111.378 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 26.6 m -73.37 -37.08 66.16 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.008 1.323 . . . . 0.0 114.222 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -56.41 -46.83 80.01 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 119.091 0.86 . . . . 0.0 110.48 162.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 74.1 m -62.91 -38.64 91.77 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.193 -0.908 . . . . 0.0 112.583 178.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 22.8 mt -57.52 -55.78 30.39 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 124.365 1.066 . . . . 0.0 110.375 168.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 34.4 mt -52.13 -38.63 58.1 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.796 1.18 . . . . 0.0 112.37 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 8.0 t -58.86 -56.51 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 124.237 1.015 . . . . 0.0 112.333 169.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -36.19 81.38 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.417 1.008 . . . . 0.0 111.922 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 6.6 mt -59.5 -59.68 5.06 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 124.112 0.965 . . . . 0.0 108.573 172.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.23 -27.14 20.61 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.798 1.181 . . . . 0.0 114.173 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.96 -29.31 32.24 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -131.7 -18.22 2.78 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -166.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 2.0 tt -105.16 128.47 26.59 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 128.334 2.654 . . . . 0.0 106.672 173.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -69.73 74.26 1.29 Allowed 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.025 2.483 . . . . 0.0 110.828 169.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.12 -15.92 64.01 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.308 1.043 . . . . 0.0 112.554 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 57.09 9.65 0.69 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.963 1.705 . . . . 0.0 113.245 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 8.8 p90 43.79 24.62 0.07 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 128.68 2.792 . . . . 0.0 114.99 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.51 160.34 76.86 Favored Pre-proline 0 N--CA 1.47 0.54 0 C-N-CA 125.048 1.339 . . . . 0.0 111.13 -175.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -59.65 -44.83 28.92 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.732 1.621 . . . . 0.0 112.383 168.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.07 76.67 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 117.961 0.346 . . . . 0.0 110.982 176.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 39.7 t -75.0 -50.68 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 120.624 -1.297 . . . . 0.0 112.444 -177.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -65.81 -41.28 92.05 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 120.668 -1.27 . . . . 0.0 111.454 -176.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.62 -57.74 9.12 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.021 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 92.1 p -55.33 -43.58 75.07 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 117.158 -1.401 . . . . 0.0 112.712 -175.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.5 -49.53 66.26 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 120.658 1.572 . . . . 0.0 111.084 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -59.23 -50.35 74.36 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.43 1.014 . . . . 0.0 112.351 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -28.68 64.42 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 178.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -63.05 -49.17 75.62 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.709 1.14 . . . . 0.0 110.311 169.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.48 -33.35 75.38 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.175 0.898 . . . . 0.0 111.084 177.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.56 86.54 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.638 1.108 . . . . 0.0 113.151 167.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 7.4 t -66.61 -45.26 79.7 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.671 -1.268 . . . . 0.0 112.596 173.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 62.6 t -53.94 -46.0 64.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.041 0.936 . . . . 0.0 109.956 171.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 133' ' ' SER . . . . . 0.432 ' HB2' ' CD1' ' C' ' 98' ' ' PHE . 33.4 t -60.07 -54.75 42.33 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 124.731 1.212 . . . . 0.0 113.69 174.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 21.5 m -50.45 -42.34 54.06 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.444 1.02 . . . . 0.0 110.681 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 135' ' ' VAL . . . . . 0.485 HG13 ' HA ' ' C' ' 77' ' ' PRO . 71.6 t -68.77 -47.24 77.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 118.434 -0.793 . . . . 0.0 112.871 175.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -29.06 65.18 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 120.644 1.566 . . . . 0.0 113.081 174.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 89.2 m -76.73 -15.12 59.86 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 127.993 2.517 . . . . 0.0 113.077 175.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 22.5 m . . . . . 0 N--CA 1.47 0.528 0 C-N-CA 125.251 1.42 . . . . 0.0 112.77 -173.026 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.319 3.5 p . . . . . 0 N--CA 1.514 2.752 0 CA-C-O 116.925 -1.512 . . . . 0.0 112.872 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 22.1 73.39 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 127.695 2.398 . . . . 0.0 115.326 -176.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.07 163.34 12.57 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.694 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.64 151.95 90.96 Favored Pre-proline 0 N--CA 1.481 1.08 0 CA-C-O 118.635 -0.698 . . . . 0.0 109.514 166.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -53.59 -38.22 83.8 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.81 2.34 . . . . 0.0 114.686 173.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -71.68 -43.46 65.94 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.447 -0.783 . . . . 0.0 112.224 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -64.39 -42.92 95.86 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.7 -0.625 . . . . 0.0 111.419 175.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.17 -52.74 60.23 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.685 1.194 . . . . 0.0 110.868 170.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -54.16 -45.94 72.19 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.647 0.658 . . . . 0.0 111.347 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.92 -52.88 63.65 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 11' ' ' VAL . . . . . 0.564 HG23 ' CE1' ' D' ' 130' ' ' TYR . 3.8 p -65.09 -50.26 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 119.785 1.175 . . . . 0.0 112.472 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -70.49 -35.88 73.5 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.107 0.867 . . . . 0.0 112.255 -172.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.47 -37.55 87.93 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.462 1.028 . . . . 0.0 111.928 172.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.99 -39.46 87.14 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.318 -0.864 . . . . 0.0 111.18 172.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -25.85 61.61 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 164.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.73 -38.75 86.02 Favored Glycine 0 CA--C 1.535 1.34 0 O-C-N 121.333 -0.855 . . . . 0.0 113.221 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -89.67 -19.41 24.88 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -53.58 133.61 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.284 1.034 . . . . 0.0 113.131 -169.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -87.07 85.01 7.2 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.891 0.876 . . . . 0.0 108.86 174.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 87.0 t -52.15 -35.62 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 124.33 1.052 . . . . 0.0 113.609 -170.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -44.25 86.33 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.025 1.33 . . . . 0.0 113.018 174.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -95.4 -38.34 10.53 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.691 -0.631 . . . . 0.0 111.455 -167.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -34.84 70.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 O-C-N 121.535 -0.728 . . . . 0.0 110.616 165.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.33 -46.79 67.82 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-O 119.426 -0.652 . . . . 0.0 111.605 174.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.32 -42.79 95.73 Favored Glycine 0 N--CA 1.469 0.873 0 CA-C-N 118.072 0.936 . . . . 0.0 113.726 170.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -64.46 -38.34 90.68 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 123.601 0.76 . . . . 0.0 112.143 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.14 -51.72 35.53 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 119.662 1.119 . . . . 0.0 111.813 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 28' ' ' LEU . . . . . 0.438 HD21 ' CD2' ' D' ' 63' ' ' HIS . 0.9 OUTLIER -75.43 -22.36 57.44 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -178.589 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.575 ' O ' HG13 ' D' ' 33' ' ' VAL . . . -69.05 -59.11 6.11 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 164.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 30' ' ' ARG . . . . . 0.527 ' HA ' HG22 ' D' ' 33' ' ' VAL . 39.6 mtt180 -53.83 -33.96 57.8 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 120.724 -1.457 . . . . 0.0 112.636 176.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 31' ' ' LEU . . . . . 0.44 ' HA ' HG21 ' D' ' 109' ' ' VAL . 58.9 tp -49.73 -39.69 38.22 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.591 1.156 . . . . 0.0 113.139 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.15 -11.12 8.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 118.719 -0.658 . . . . 0.0 112.264 -168.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 33' ' ' VAL . . . . . 0.575 HG13 ' O ' ' D' ' 29' ' ' GLY . 15.8 m -62.47 -24.91 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 119.536 1.062 . . . . 0.0 111.8 166.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 34' ' ' VAL . . . . . 0.402 HG23 ' H ' ' D' ' 34' ' ' VAL . 0.2 OUTLIER -58.62 1.59 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 173.4 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.74 38.06 0.44 Allowed Pre-proline 0 CA--C 1.559 1.31 0 C-N-CA 126.542 1.937 . . . . 0.0 114.394 -168.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -77.39 178.8 7.19 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.771 2.314 . . . . 0.0 110.72 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 14.1 p90 -50.02 -31.8 13.76 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.972 -1.08 . . . . 0.0 113.006 167.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.05 -25.41 61.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.804 1.242 . . . . 0.0 113.956 174.267 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -27.03 59.01 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.182 0.901 . . . . 0.0 111.17 173.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 5.7 ptt-85 -48.9 -38.96 24.16 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 119.879 1.218 . . . . 0.0 113.832 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.02 0.22 45.83 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.761 1.224 . . . . 0.0 112.044 -174.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.65 -35.06 40.71 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 120.436 -1.415 . . . . 0.0 114.551 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -59.96 -16.37 29.65 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 18.4 t -85.22 -23.22 28.35 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 173.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 45' ' ' PHE . . . . . 0.736 ' HB2' HD11 ' D' ' 48' ' ' LEU . 12.3 m-85 -96.27 -2.5 45.87 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.032 -1.043 . . . . 0.0 113.385 -179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.23 31.26 74.32 Favored Glycine 0 N--CA 1.479 1.516 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 162.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 47' ' ' ASP . . . . . 0.548 ' C ' HD12 ' D' ' 48' ' ' LEU . 0.5 OUTLIER -165.65 -129.56 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 125.818 1.647 . . . . 0.0 108.687 -172.785 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 48' ' ' LEU . . . . . 0.736 HD11 ' HB2' ' D' ' 45' ' ' PHE . 0.3 OUTLIER 63.29 -8.04 0.15 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.865 2.466 . . . . 0.0 116.615 168.36 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 41.0 m -56.97 -18.4 13.41 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.237 1.815 . . . . 0.0 114.447 172.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 1.4 p -141.21 162.74 46.16 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.717 1.607 . . . . 0.0 110.67 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -55.45 -54.8 3.73 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.797 2.332 . . . . 0.0 112.041 172.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.73 -39.15 90.54 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.995 0.918 . . . . 0.0 111.914 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.19 -46.63 79.33 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.182 0.593 . . . . 0.0 110.88 173.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 54' ' ' VAL . . . . . 0.461 HG11 ' CG1' ' D' ' 33' ' ' VAL . 0.3 OUTLIER -70.99 -46.65 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.883 1.219 . . . . 0.0 113.344 -178.754 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 1.7 mtt -70.4 -23.3 62.74 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.751 0.705 . . . . 0.0 112.03 -173.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.54 -11.04 49.0 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 124.973 1.273 . . . . 0.0 115.255 174.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -61.63 120.16 53.73 Favored Pre-proline 0 N--CA 1.474 0.758 0 CA-C-N 119.924 1.862 . . . . 0.0 111.536 -175.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -63.59 -24.95 69.65 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 122.995 2.463 . . . . 0.0 113.497 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -76.15 -46.98 26.01 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.908 1.231 . . . . 0.0 112.909 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -66.36 -34.5 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 CA-C-N 119.315 0.961 . . . . 0.0 112.248 170.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -57.7 -57.44 12.72 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 119.504 1.047 . . . . 0.0 111.398 168.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.97 -50.6 70.36 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.449 1.5 . . . . 0.0 112.843 -178.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 63' ' ' HIS . . . . . 0.438 ' CD2' HD21 ' D' ' 28' ' ' LEU . 0.9 OUTLIER -64.84 -33.93 77.16 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.515 -0.741 . . . . 0.0 111.563 174.829 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.82 -40.59 64.85 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.366 1.46 . . . . 0.0 112.827 168.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.97 -41.11 99.45 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 121.896 -0.767 . . . . 0.0 111.889 172.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -63.87 -52.19 61.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.451 0.701 . . . . 0.0 111.096 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 31.2 m -59.83 -46.82 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.518 0.327 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.31 -38.49 68.7 Favored 'General case' 0 C--O 1.224 -0.247 0 O-C-N 121.118 -0.988 . . . . 0.0 111.736 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.91 -42.57 53.92 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 123.929 0.776 . . . . 0.0 111.677 172.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.94 -47.27 81.16 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 170.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 71' ' ' PHE . . . . . 0.446 ' CE2' HD23 ' D' ' 110' ' ' LEU . 2.3 m-30 -55.53 -37.13 67.53 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 120.333 -1.479 . . . . 0.0 111.599 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 7.0 t -67.56 -42.99 81.74 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.434 1.494 . . . . 0.0 113.181 172.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -56.31 -31.48 63.72 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.026 0.83 . . . . 0.0 111.838 168.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.48 -61.68 6.59 Favored Glycine 0 C--N 1.338 0.666 0 C-N-CA 124.31 0.957 . . . . 0.0 111.041 169.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 mt -54.25 -27.8 37.23 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.91 -27.4 54.9 Favored 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 171.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -142.96 54.99 1.38 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.377 1.871 . . . . 0.0 112.577 -171.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.25 -11.3 59.14 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -59.33 -38.46 80.39 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.777 1.231 . . . . 0.0 113.673 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -153.93 107.79 2.99 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.592 1.557 . . . . 0.0 110.379 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 67.2 mt -83.35 -21.48 33.1 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 173.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -69.55 -7.5 39.02 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 120.539 -1.351 . . . . 0.0 113.731 -174.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -115.7 -46.7 0.55 Allowed Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.888 1.709 . . . . 0.0 113.545 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.2 p -60.61 -26.3 66.89 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 118.644 1.222 . . . . 0.0 113.492 173.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -108.95 -1.96 18.64 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 117.941 -1.028 . . . . 0.0 113.345 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.64 -38.83 67.35 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 120.594 1.543 . . . . 0.0 114.272 -174.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 6.5 p -64.41 -35.43 80.88 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.397 1.079 . . . . 0.0 112.616 172.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 44.7 mt -72.99 -39.67 65.89 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.88 0.872 . . . . 0.0 111.126 173.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 1.5 m -56.1 -48.1 76.81 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 120.797 -1.189 . . . . 0.0 110.964 171.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -62.32 -44.07 97.35 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.984 1.314 . . . . 0.0 112.746 174.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 44.3 tp -58.77 -53.08 62.42 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.304 -0.872 . . . . 0.0 111.784 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -77.27 6.74 6.19 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -177.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 18.8 p -120.28 -76.37 0.58 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.65 0.659 . . . . 0.0 110.942 160.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.69 -22.73 65.58 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -167.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 -28.61 11.81 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.147 0.979 . . . . 0.0 113.211 173.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 50.6 mt -142.34 39.71 1.58 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.753 1.221 . . . . 0.0 113.306 -163.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -7.53 -60.16 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 118.719 2.859 . . . . 0.0 118.719 -167.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 2.5 p 24.34 98.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 129.281 3.033 . . . . 0.0 116.02 173.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -9.71 110.54 0.04 OUTLIER Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 125.48 1.512 . . . . 0.0 114.911 155.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -53.27 -24.41 26.76 Favored 'Trans proline' 0 CA--C 1.547 1.162 0 C-N-CA 122.215 1.943 . . . . 0.0 114.573 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -46.38 -36.13 6.14 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 119.499 -2.0 . . . . 0.0 114.409 166.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -68.15 -27.47 66.46 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 117.53 -1.224 . . . . 0.0 114.185 174.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 103' ' ' PHE . . . . . 0.683 ' CE1' ' HB1' ' D' ' 138' ' ' ALA . 0.3 OUTLIER -60.49 -40.73 92.4 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 121.142 1.792 . . . . 0.0 109.296 166.157 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 104' ' ' ARG . . . . . 0.41 ' N ' ' CD1' ' D' ' 103' ' ' PHE . 31.0 ttp85 -72.02 -42.44 66.38 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.783 -0.573 . . . . 0.0 110.468 -168.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 7.8 mp -54.78 -46.2 74.39 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.318 -0.849 . . . . 0.0 111.531 166.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.45 -44.42 80.46 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.955 1.252 . . . . 0.0 111.962 176.121 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.64 -60.87 8.12 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 123.085 0.374 . . . . 0.0 113.227 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -55.83 -35.2 66.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.721 0.808 . . . . 0.0 112.565 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 109' ' ' VAL . . . . . 0.44 HG21 ' HA ' ' D' ' 31' ' ' LEU . 43.1 t -70.95 -46.59 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 121.026 -1.046 . . . . 0.0 111.756 176.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 110' ' ' LEU . . . . . 0.446 HD23 ' CE2' ' D' ' 71' ' ' PHE . 51.4 tp -58.24 -41.49 84.27 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.754 1.161 . . . . 0.0 111.548 -178.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 1.1 m -64.89 -30.58 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 O-C-N 121.089 -1.007 . . . . 0.0 111.859 176.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 29.9 t -72.04 -39.34 69.17 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.132 -0.98 . . . . 0.0 113.222 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.5 -41.88 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 O-C-N 120.22 -1.55 . . . . 0.0 111.899 172.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 25.3 mt -60.98 -39.57 90.12 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.151 0.432 . . . . 0.0 110.685 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.35 -28.99 63.62 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 169.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 32.4 t-80 -79.3 -56.25 4.48 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.646 1.566 . . . . 0.0 112.766 171.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.94 -25.05 66.95 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -170.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -134.21 27.61 3.8 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.433 1.493 . . . . 0.0 112.468 -176.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -51.07 -39.83 42.31 Favored Glycine 0 N--CA 1.476 1.321 0 N-CA-C 116.762 1.465 . . . . 0.0 116.762 -168.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -67.58 -14.05 62.6 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 118.0 0.9 . . . . 0.0 113.187 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -114.84 1.06 13.98 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.048 2.139 . . . . 0.0 111.385 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -94.03 68.42 3.77 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.107 1.363 . . . . 0.0 112.046 -174.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 30.9 p -58.11 156.71 19.13 Favored Pre-proline 0 N--CA 1.473 0.707 0 C-N-CA 124.253 1.021 . . . . 0.0 112.3 -175.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -46.35 -52.69 6.93 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 121.699 1.599 . . . . 0.0 113.353 168.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -64.01 -29.06 66.2 Favored 'Trans proline' 0 C--N 1.354 0.829 0 CA-C-O 116.737 -1.443 . . . . 0.0 114.278 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -42.38 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 122.174 2.261 . . . . 0.0 110.92 174.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -49.81 76.09 Favored 'General case' 0 CA--C 1.527 0.067 0 O-C-N 121.799 -0.563 . . . . 0.0 110.534 177.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.95 -22.92 66.51 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.81 -49.48 45.89 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 130' ' ' TYR . . . . . 0.564 ' CE1' HG23 ' D' ' 11' ' ' VAL . 61.2 m-85 -53.75 -48.81 69.34 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 118.471 -0.776 . . . . 0.0 111.217 166.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -56.25 -37.13 69.34 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.581 1.082 . . . . 0.0 112.314 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -71.75 -43.49 65.69 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.995 1.27 . . . . 0.0 114.35 173.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.42 -45.75 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 CA-C-N 120.806 1.639 . . . . 0.0 109.975 173.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 50.5 t -78.72 -29.16 14.39 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 CA-C-O 117.433 -1.27 . . . . 0.0 112.126 -171.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.25 83.7 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 121.128 1.786 . . . . 0.0 112.169 166.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -65.77 -49.67 57.98 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 121.157 -0.965 . . . . 0.0 112.232 168.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.77 -44.23 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.346 1.058 . . . . 0.0 111.693 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 138' ' ' ALA . . . . . 0.683 ' HB1' ' CE1' ' D' ' 103' ' ' PHE . . . -51.46 -58.66 5.65 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 127.055 2.142 . . . . 0.0 112.003 170.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -57.56 -36.36 71.57 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.167 0.587 . . . . 0.0 112.089 178.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.32 75.1 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.864 -0.588 . . . . 0.0 112.569 173.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.95 -38.41 90.86 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 120.837 1.653 . . . . 0.0 111.828 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.79 -11.87 41.48 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.363 1.465 . . . . 0.0 113.894 170.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -57.09 -29.95 63.92 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 120.533 1.515 . . . . 0.0 113.681 -176.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -87.46 5.33 39.49 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 175.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.35 -17.53 4.2 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.356 1.862 . . . . 0.0 113.376 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.255 1.374 0 C-N-CA 129.253 3.021 . . . . 0.0 117.607 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.515 2.781 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -146.83 161.05 41.48 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.041 1.336 . . . . 0.0 111.719 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -71.56 155.65 92.3 Favored Pre-proline 0 N--CA 1.48 1.044 0 C-N-CA 123.968 0.907 . . . . 0.0 112.371 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.0 -40.92 8.31 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 122.89 2.393 . . . . 0.0 114.352 -168.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.14 -38.43 88.94 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.341 0.518 . . . . 0.0 111.959 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -56.81 -49.73 74.49 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.207 0.603 . . . . 0.0 110.958 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -55.5 -44.7 76.82 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.524 0.73 . . . . 0.0 110.827 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.7 m -59.58 -42.66 93.01 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.145 0.578 . . . . 0.0 111.444 177.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -64.78 -38.87 92.45 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.275 0.943 . . . . 0.0 112.094 174.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.35 -49.3 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.693 0.679 . . . . 0.0 111.239 173.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.69 -44.27 96.74 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 118.95 0.796 . . . . 0.0 111.194 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.34 -52.59 64.97 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.447 0.699 . . . . 0.0 111.491 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.98 -55.87 29.6 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.481 0.713 . . . . 0.0 112.146 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.404 ' CZ3' HG11 ' A' ' 17' ' ' VAL . 20.4 t-105 -63.53 -28.82 70.21 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.466 -0.771 . . . . 0.0 112.835 -176.402 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.83 -43.5 92.27 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.311 0.958 . . . . 0.0 113.526 169.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -73.55 -31.75 63.82 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 118.611 1.205 . . . . 0.0 111.851 174.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.43 HG12 ' HB2' ' A' ' 21' ' ' ALA . 91.3 t -67.51 -21.08 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 125.271 1.428 . . . . 0.0 113.283 176.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.66 139.64 2.51 Favored Glycine 0 CA--C 1.543 1.835 0 C-N-CA 124.866 1.222 . . . . 0.0 114.52 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 61.53 -35.77 0.1 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 128.317 2.647 . . . . 0.0 116.454 -168.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -75.58 -20.37 58.66 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.701 1.137 . . . . 0.0 113.727 174.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.43 ' HB2' HG12 ' A' ' 17' ' ' VAL . . . -47.55 -44.98 26.46 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.064 1.746 . . . . 0.0 115.131 -171.151 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.54 -35.63 91.46 Favored Glycine 0 N--CA 1.471 0.99 0 O-C-N 121.486 -0.759 . . . . 0.0 113.521 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -63.89 -46.87 82.95 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.141 0.976 . . . . 0.0 110.216 174.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -60.31 -39.94 88.76 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.413 0.685 . . . . 0.0 112.317 175.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.94 -48.42 83.71 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-N 118.623 0.647 . . . . 0.0 112.802 172.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.99 -46.11 90.52 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.283 1.042 . . . . 0.0 112.125 177.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.54 -40.01 95.44 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 121.623 -0.673 . . . . 0.0 112.553 173.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.408 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -62.5 -40.06 95.49 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.201 0.91 . . . . 0.0 112.596 178.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.0 mt -65.31 -49.7 68.45 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.458 1.103 . . . . 0.0 111.887 173.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.24 -43.11 99.41 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.622 -0.674 . . . . 0.0 112.522 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -60.42 -46.69 89.13 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.358 -0.839 . . . . 0.0 111.82 172.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 38.5 ttp -54.36 -48.28 71.65 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.676 1.125 . . . . 0.0 112.133 173.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.96 -52.21 51.85 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.533 1.133 . . . . 0.0 113.009 176.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -86.02 -30.25 22.82 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -173.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.6 m -69.49 -28.27 65.91 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.443 1.019 . . . . 0.0 113.411 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -139.38 76.86 30.57 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 124.415 1.086 . . . . 0.0 109.615 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -48.89 -29.25 14.77 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 124.991 3.794 . . . . 0.0 116.878 -169.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 p -52.83 -35.8 57.74 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.65 1.18 . . . . 0.0 112.91 173.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.6 p -56.93 -27.12 60.59 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 176.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -28.91 66.08 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.682 1.128 . . . . 0.0 112.749 174.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -23.0 56.95 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.522 1.129 . . . . 0.0 113.879 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.32 -38.11 79.46 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.089 0.404 . . . . 0.0 111.839 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 28.0 53.44 0.41 Allowed Pre-proline 0 CA--C 1.559 1.297 0 C-N-CA 128.622 2.769 . . . . 0.0 115.278 172.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.92 -57.49 0.16 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.98 2.453 . . . . 0.0 113.388 -159.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -158.32 27.58 0.25 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.981 1.313 . . . . 0.0 112.72 171.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.7 173.85 11.12 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.788 1.235 . . . . 0.0 113.224 -175.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -141.55 158.54 43.71 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.51 1.524 . . . . 0.0 111.496 -177.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.8 mt -121.41 31.42 6.32 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.123 0.969 . . . . 0.0 112.038 -156.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.5 p -64.35 17.02 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.351 2.66 . . . . 0.0 117.484 -170.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.2 t60 69.98 127.91 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 128.769 2.827 . . . . 0.0 112.965 -172.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.75 20.31 75.76 Favored Glycine 0 CA--C 1.542 1.751 0 O-C-N 121.359 -0.838 . . . . 0.0 114.792 -174.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.1 t -57.29 125.96 25.11 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.048 1.339 . . . . 0.0 113.297 -176.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.86 -34.98 70.33 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.009 0.924 . . . . 0.0 112.696 173.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -71.05 -39.42 72.25 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.793 -0.567 . . . . 0.0 111.783 177.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 84.9 t -64.34 -42.34 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-N 119.043 0.838 . . . . 0.0 111.421 172.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -59.15 -49.18 78.85 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.103 0.961 . . . . 0.0 112.162 174.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.45 -47.0 91.25 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.211 0.91 . . . . 0.0 112.804 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -58.45 -40.6 83.06 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.554 -0.969 . . . . 0.0 111.735 172.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.14 -51.23 51.84 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.479 1.038 . . . . 0.0 113.57 171.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -57.2 -37.65 72.5 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 118.277 1.038 . . . . 0.0 113.104 171.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -69.62 -46.26 66.64 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.317 0.962 . . . . 0.0 112.292 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.2 t -56.27 -46.17 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.378 0.99 . . . . 0.0 110.466 171.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.41 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -59.9 -50.49 73.59 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 176.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -60.21 -40.57 90.58 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.937 0.79 . . . . 0.0 112.073 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.92 -36.93 85.01 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 171.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.74 -45.85 84.71 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 118.505 -0.759 . . . . 0.0 111.245 170.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.5 m -55.66 -45.44 77.71 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 120.091 1.314 . . . . 0.0 112.0 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -57.25 -50.11 73.91 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.456 1.502 . . . . 0.0 111.552 172.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.08 -36.65 77.84 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.043 -1.036 . . . . 0.0 113.773 174.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.7 t -67.25 -45.02 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 119.626 1.103 . . . . 0.0 110.847 173.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.09 -26.13 68.69 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.509 1.124 . . . . 0.0 113.471 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -130.58 34.77 4.1 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.184 1.393 . . . . 0.0 112.704 -174.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.2 p -58.98 -8.41 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 120.202 -1.561 . . . . 0.0 115.064 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -107.95 -2.27 19.9 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.634 1.574 . . . . 0.0 114.86 171.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -140.85 1.94 1.72 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.195 1.798 . . . . 0.0 113.877 -174.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.478 ' HA ' ' HB3' ' A' ' 79' ' ' ALA 0.308 0.0 OUTLIER -61.88 -19.54 0.54 Allowed Pre-proline 0 CA--C 1.545 0.782 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 -175.022 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -44.24 -32.7 5.28 Favored 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 123.532 2.821 . . . . 0.0 116.315 165.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -103.09 -34.6 8.82 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 172.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 76' ' ' MET . . . -63.96 -16.48 61.64 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 178.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.8 mt -110.26 17.17 21.19 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.451 1.5 . . . . 0.0 112.646 175.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.1 p -53.76 -43.15 68.95 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.633 1.106 . . . . 0.0 113.851 -175.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.2 -23.96 62.7 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.926 0.89 . . . . 0.0 113.331 173.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mt -95.23 -32.66 12.92 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.082 -1.011 . . . . 0.0 111.546 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.0 t -52.31 -42.91 64.2 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 157.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.63 -39.1 92.78 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.576 -1.328 . . . . 0.0 114.039 171.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.61 -39.18 67.65 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 120.362 1.437 . . . . 0.0 112.315 168.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -87.02 -18.09 31.44 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.32 -35.5 8.39 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -175.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -143.87 -54.91 0.37 Allowed 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -54.18 -40.91 67.98 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 120.859 1.663 . . . . 0.0 113.578 -167.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 mt -136.38 -4.93 2.07 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 171.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 48.63 36.93 8.41 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 126.555 1.942 . . . . 0.0 115.181 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.0 t -47.63 124.47 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 126.151 1.78 . . . . 0.0 113.44 -176.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.58 118.32 49.79 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 124.771 1.228 . . . . 0.0 112.555 176.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -46.91 -35.74 18.79 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 125.024 3.816 . . . . 0.0 116.557 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.0 p -54.22 -34.94 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 120.896 -1.127 . . . . 0.0 112.839 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -64.08 -33.73 76.43 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.41 -0.806 . . . . 0.0 111.424 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 133' ' ' SER . 0.0 OUTLIER -57.61 -45.01 85.88 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 120.839 -1.163 . . . . 0.0 110.41 170.853 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -61.03 -39.93 91.67 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.321 0.648 . . . . 0.0 110.563 -172.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.69 -60.19 3.86 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.45 0.7 . . . . 0.0 110.681 171.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -34.86 70.19 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.964 0.802 . . . . 0.0 112.109 -175.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.3 t -56.55 -53.68 54.73 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.052 1.741 . . . . 0.0 112.629 173.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -60.11 -41.57 92.84 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.416 -0.803 . . . . 0.0 111.482 172.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 75.8 m -66.46 -24.47 66.44 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.3 mt -75.44 -48.19 23.87 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.312 1.045 . . . . 0.0 111.513 169.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 31.4 mt -50.84 -43.87 59.22 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.875 0.761 . . . . 0.0 111.783 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.6 m -66.82 -37.64 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 174.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 22.1 p -74.66 -32.16 62.16 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.745 1.611 . . . . 0.0 112.185 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.71 -51.21 70.73 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 121.719 0.771 . . . . 0.0 108.983 166.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.39 -24.35 67.61 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.67 -10.91 21.51 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 174.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -131.34 -36.11 1.3 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.7 mp -77.64 156.08 80.75 Favored Pre-proline 0 CA--C 1.56 1.343 0 CA-C-N 119.247 0.93 . . . . 0.0 111.53 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -54.41 -35.91 86.05 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 124.043 3.162 . . . . 0.0 116.351 -170.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -146.05 -48.12 0.21 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.553 1.141 . . . . 0.0 111.354 173.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 67.3 -9.1 0.42 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.37 1.468 . . . . 0.0 114.747 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -116.24 6.11 13.78 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -166.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.6 p -56.77 158.33 8.89 Favored Pre-proline 0 N--CA 1.47 0.566 0 C-N-CA 123.405 0.682 . . . . 0.0 111.088 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -50.66 -41.88 52.15 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.584 2.189 . . . . 0.0 113.957 172.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.66 -52.94 54.68 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.127 0.421 . . . . 0.0 111.612 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.5 t -72.58 -48.03 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 121.448 -0.783 . . . . 0.0 112.326 -172.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.05 -41.54 61.61 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.934 1.243 . . . . 0.0 113.065 -175.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.3 88.61 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 120.178 1.354 . . . . 0.0 110.694 174.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.1 t -57.23 -61.24 2.61 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 118.951 -0.547 . . . . 0.0 111.992 174.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.47 -41.42 98.59 Favored 'General case' 0 C--O 1.226 -0.165 0 CA-C-N 119.574 1.079 . . . . 0.0 113.558 -174.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.13 -48.24 80.84 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.82 1.191 . . . . 0.0 111.264 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.412 ' HA ' ' HB3' ' A' ' 130' ' ' ALA 0.316 0.0 OUTLIER -82.99 -17.89 41.82 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -177.964 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -71.98 -46.45 57.29 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.58 1.152 . . . . 0.0 112.071 164.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.64 -33.43 72.78 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.495 -1.378 . . . . 0.0 110.719 170.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 127' ' ' LYS . . . -64.17 -41.7 97.01 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 168.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.2 p -69.33 -42.38 75.43 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 121.658 2.026 . . . . 0.0 112.792 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 75.6 t -53.08 -46.84 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.04 1.336 . . . . 0.0 110.551 167.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.447 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 42.9 t -59.38 -51.07 71.51 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 118.295 -0.86 . . . . 0.0 113.093 171.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 47.8 m -50.91 -36.09 36.54 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 120.321 1.418 . . . . 0.0 112.636 176.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 53.8 t -72.66 -49.31 41.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 121.54 -0.725 . . . . 0.0 112.295 170.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.38 -39.14 69.76 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.002 -1.061 . . . . 0.0 113.543 175.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 72.6 p -86.78 4.96 38.81 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.806 1.642 . . . . 0.0 113.437 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 CA--C 1.547 0.84 0 CA-C-O 121.89 0.852 . . . . 0.0 112.681 170.686 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.515 2.795 0 CA-C-O 119.357 -0.354 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -132.16 74.3 1.58 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.868 1.267 . . . . 0.0 110.622 -170.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.74 157.62 9.21 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 121.46 -0.775 . . . . 0.0 110.974 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.3 p -63.68 151.96 87.37 Favored Pre-proline 0 N--CA 1.479 0.982 0 CA-C-O 118.493 -0.765 . . . . 0.0 109.301 167.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -54.54 -37.11 90.37 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.367 2.045 . . . . 0.0 114.09 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -70.85 -44.46 66.38 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.262 0.625 . . . . 0.0 112.176 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.37 -38.43 87.56 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.326 -0.859 . . . . 0.0 111.6 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -57.1 -46.35 82.66 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.61 1.096 . . . . 0.0 111.108 172.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.4 t -58.23 -45.75 87.14 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.787 0.721 . . . . 0.0 111.036 173.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.88 -49.68 74.79 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 p -67.88 -50.75 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 119.4 1.0 . . . . 0.0 112.071 173.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.4 m -72.06 -35.77 69.4 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.955 0.798 . . . . 0.0 111.792 -168.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.23 -36.17 74.35 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.777 -1.202 . . . . 0.0 112.313 175.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -69.2 -38.64 78.73 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.21 -0.931 . . . . 0.0 110.649 172.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -55.01 -42.37 72.47 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.67 -0.644 . . . . 0.0 111.773 166.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.37 -26.65 44.95 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 126.558 2.028 . . . . 0.0 116.551 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.73 -3.65 14.93 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 119.5 1.65 . . . . 0.0 114.57 171.064 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.49 136.4 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 124.147 0.979 . . . . 0.0 111.509 177.256 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -90.86 87.61 6.72 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 74.9 t -50.84 -38.97 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -165.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -71.7 -37.66 70.64 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 177.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -80.71 -55.41 4.85 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.126 0.57 . . . . 0.0 110.54 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.0 -31.94 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 O-C-N 121.282 -0.886 . . . . 0.0 112.219 175.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.97 -44.02 31.84 Favored Glycine 0 C--N 1.343 0.958 0 CA-C-N 119.47 1.032 . . . . 0.0 111.991 176.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.83 -48.34 79.08 Favored Glycine 0 CA--C 1.525 0.667 0 CA-C-N 117.931 0.866 . . . . 0.0 112.594 169.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.68 -28.55 67.79 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 117.86 -1.067 . . . . 0.0 112.868 174.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.18 -64.21 0.9 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 121.555 1.98 . . . . 0.0 111.131 173.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.1 tp -67.55 -35.1 78.41 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.62 -0.675 . . . . 0.0 111.232 -175.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.446 ' O ' HG13 ' B' ' 33' ' ' VAL . . . -52.65 -59.0 9.75 Favored Glycine 0 C--N 1.336 0.539 0 CA-C-O 118.191 -1.338 . . . . 0.0 111.416 163.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.444 ' HD2' ' HE2' ' B' ' 116' ' ' HIS . 0.5 OUTLIER -49.83 -43.6 48.88 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.751 1.775 . . . . 0.0 112.537 -179.702 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.428 ' HA ' HG21 ' B' ' 109' ' ' VAL . 16.2 tp -51.98 -51.8 54.76 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.973 1.715 . . . . 0.0 110.533 175.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 mp -83.9 -9.04 59.02 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 117.54 -1.219 . . . . 0.0 113.011 -176.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.446 HG13 ' O ' ' B' ' 29' ' ' GLY . 2.0 m -75.32 -26.02 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 CA-C-N 121.215 1.825 . . . . 0.0 114.205 167.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.16 8.07 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 CA-C-N 121.042 1.746 . . . . 0.0 113.657 -176.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 47.96 39.5 0.59 Allowed Pre-proline 0 CA--C 1.559 1.312 0 C-N-CA 126.393 1.877 . . . . 0.0 115.455 -167.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -76.86 160.43 34.01 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.78 1.653 . . . . 0.0 112.228 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 9.6 p90 -54.05 -26.54 27.18 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.552 1.541 . . . . 0.0 113.938 169.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 16.3 p -59.91 -15.98 25.99 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 172.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -52.73 -20.78 3.41 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 166.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -48.08 -29.84 3.93 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 173.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.79 4.83 42.86 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -177.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -54.93 -17.61 3.91 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 -175.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -53.75 -31.62 49.18 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.479 1.112 . . . . 0.0 112.62 172.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.2 m -83.97 -2.16 56.03 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.261 1.424 . . . . 0.0 114.454 173.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -117.85 -27.14 6.28 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.084 1.354 . . . . 0.0 112.846 -169.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.44 -135.52 13.71 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-N 120.283 1.401 . . . . 0.0 113.448 175.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -46.86 95.33 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.14 2.176 . . . . 0.0 114.223 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 tt -147.29 -16.6 0.39 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -173.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -58.53 -12.93 4.52 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 -173.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 35.7 p -136.22 157.01 76.43 Favored Pre-proline 0 N--CA 1.474 0.727 0 C-N-CA 126.438 1.895 . . . . 0.0 111.099 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.76 -41.06 49.23 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.27 2.647 . . . . 0.0 114.828 -172.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.04 -37.33 81.21 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.785 -0.572 . . . . 0.0 112.479 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.18 -53.19 61.11 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.895 0.878 . . . . 0.0 112.476 -175.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -61.87 -27.81 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -175.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 32.6 ttm -84.25 -26.28 28.77 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.32 -31.82 10.24 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.03 0.824 . . . . 0.0 114.201 175.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -39.5 113.91 0.89 Allowed Pre-proline 0 CA--C 1.557 1.247 0 C-N-CA 128.414 2.686 . . . . 0.0 115.149 -176.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.3 -42.0 68.49 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 124.199 3.266 . . . . 0.0 114.778 175.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -65.66 -39.83 91.8 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.965 1.306 . . . . 0.0 111.885 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.34 -42.05 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.702 0.801 . . . . 0.0 111.298 171.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -63.83 -43.42 96.25 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.697 1.135 . . . . 0.0 112.352 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.92 -52.91 61.23 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.451 1.1 . . . . 0.0 112.862 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -63.68 -33.36 75.46 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.832 -1.168 . . . . 0.0 111.788 172.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.49 -49.92 66.15 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.749 1.166 . . . . 0.0 113.553 169.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -55.92 -41.56 74.77 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 118.076 0.938 . . . . 0.0 111.308 169.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -70.78 -48.0 56.59 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 117.968 -1.015 . . . . 0.0 113.575 -177.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 m -58.55 -40.05 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 CA-C-N 120.631 1.559 . . . . 0.0 110.774 172.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 2.8 tt -69.77 -33.2 72.07 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.671 -0.643 . . . . 0.0 112.44 176.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.4 -37.62 82.7 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 125.482 1.515 . . . . 0.0 113.237 167.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.79 -46.67 71.31 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.606 1.203 . . . . 0.0 111.861 170.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.408 ' CD2' HD22 ' B' ' 110' ' ' LEU . 21.5 m-85 -57.41 -38.61 74.61 Favored 'General case' 0 CA--C 1.55 0.965 0 O-C-N 120.876 -1.14 . . . . 0.0 112.528 174.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.5 p -78.44 -36.36 45.63 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -57.48 -36.19 71.17 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.38 0.991 . . . . 0.0 110.928 165.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.94 -60.14 9.23 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-O 119.523 -0.598 . . . . 0.0 111.824 166.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.9 mt -54.1 -27.0 30.2 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 176.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.01 -22.9 25.22 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.496 1.518 . . . . 0.0 114.7 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -140.12 38.04 1.93 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.299 1.44 . . . . 0.0 112.558 -169.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 65.1 mt -54.06 -23.2 12.86 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -174.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -64.1 -25.86 68.29 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.88 1.672 . . . . 0.0 114.828 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -157.26 86.75 0.96 Allowed 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.403 1.001 . . . . 0.0 113.138 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 43.0 mt -73.23 -29.34 62.71 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -69.73 -18.4 63.52 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.796 -1.19 . . . . 0.0 113.638 -176.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -93.85 -43.43 3.87 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.516 1.055 . . . . 0.0 113.299 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 23.2 p -65.27 -31.54 72.74 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 118.606 1.203 . . . . 0.0 112.987 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' PHE . . . . . 0.428 ' CE2' HG22 ' B' ' 137' ' ' VAL . 14.5 m-85 -105.83 12.13 31.13 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -176.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.1 -41.42 64.93 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 121.116 1.78 . . . . 0.0 113.547 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 22.0 p -66.31 -41.47 89.67 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.082 1.353 . . . . 0.0 112.865 173.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 44.2 mt -68.81 -35.69 77.31 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.386 0.675 . . . . 0.0 111.714 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 5.5 t -63.6 -45.83 88.56 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.381 1.072 . . . . 0.0 110.21 172.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -56.96 -48.68 77.78 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.1 -1.0 . . . . 0.0 112.23 171.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 51.1 tp -52.85 -56.15 17.89 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.983 0.811 . . . . 0.0 110.691 175.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -76.32 18.77 0.28 Allowed 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 83.9 m -135.58 -76.13 0.44 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.813 1.245 . . . . 0.0 110.866 171.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.55 -29.75 70.21 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.4 1.48 . . . . 0.0 113.908 -174.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -102.11 -39.77 7.13 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.287 1.035 . . . . 0.0 112.013 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.41 ' C ' ' H ' ' B' ' 98' ' ' VAL . 0.0 OUTLIER -142.49 79.25 1.65 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.667 1.587 . . . . 0.0 110.321 -176.065 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -67.29 30.11 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 125.706 1.602 . . . . 0.0 113.701 172.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' VAL . . . . . 0.41 ' H ' ' C ' ' B' ' 96' ' ' LEU . 77.0 t -41.23 137.34 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 129.261 3.024 . . . . 0.0 111.85 175.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -61.83 141.47 95.27 Favored Pre-proline 0 CA--C 1.553 1.085 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -173.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.71 -28.22 68.64 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.083 2.522 . . . . 0.0 114.696 -169.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -56.92 -37.1 70.98 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.997 -1.064 . . . . 0.0 112.095 173.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -59.01 -37.46 76.93 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 121.514 -0.741 . . . . 0.0 111.982 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -69.24 -45.97 68.46 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.776 0.83 . . . . 0.0 111.151 177.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -59.05 -42.48 90.38 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.709 0.404 . . . . 0.0 111.303 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.8 -43.77 98.19 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.809 0.844 . . . . 0.0 112.844 173.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.6 tt -61.57 -30.88 70.95 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.531 1.514 . . . . 0.0 111.719 170.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' GLY . . . . . 0.442 ' CA ' HG11 ' B' ' 134' ' ' VAL . . . -64.87 -55.47 22.03 Favored Glycine 0 CA--C 1.526 0.739 0 O-C-N 120.274 -1.516 . . . . 0.0 114.517 170.103 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -59.23 -20.99 58.78 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 117.961 0.881 . . . . 0.0 112.342 171.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.428 HG21 ' HA ' ' B' ' 31' ' ' LEU . 10.6 t -65.7 -56.27 15.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 O-C-N 119.849 -1.782 . . . . 0.0 112.107 166.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.408 HD22 ' CD2' ' B' ' 71' ' ' PHE . 58.8 tp -53.02 -51.15 62.62 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 118.934 0.788 . . . . 0.0 111.833 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 m -56.55 -37.17 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.354 -175.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 35.1 m -77.41 -37.8 51.09 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 117.333 -1.318 . . . . 0.0 112.954 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' VAL . . . . . 0.562 ' HA ' ' CD2' ' B' ' 116' ' ' HIS . 6.0 p -60.66 -32.5 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 CA-C-N 121.85 2.114 . . . . 0.0 112.773 174.017 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.425 HD13 ' CE2' ' B' ' 130' ' ' TYR . 28.1 mt -62.42 -40.5 96.77 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.703 -0.623 . . . . 0.0 110.978 171.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 115' ' ' ALA . . . . . 0.409 ' HB2' ' CD2' ' B' ' 122' ' ' PHE . . . -65.34 -35.96 82.56 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 169.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 116' ' ' HIS . . . . . 0.562 ' CD2' ' HA ' ' B' ' 113' ' ' VAL . 6.8 m-70 -66.43 -32.8 74.4 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.012 0.925 . . . . 0.0 112.027 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -91.63 -37.64 12.94 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.627 0.771 . . . . 0.0 112.723 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -121.54 35.66 4.82 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.904 1.282 . . . . 0.0 113.237 -169.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -43.32 -47.23 6.84 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.956 1.741 . . . . 0.0 116.915 -173.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -23.21 67.27 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 118.426 1.113 . . . . 0.0 114.003 178.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -106.04 -3.46 21.58 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.192 1.797 . . . . 0.0 111.966 -177.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 122' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' B' ' 115' ' ' ALA . 17.3 t80 -78.75 64.5 3.76 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.014 1.326 . . . . 0.0 111.835 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 61.4 p -59.7 157.28 28.87 Favored Pre-proline 0 N--CA 1.478 0.931 0 C-N-CA 124.981 1.313 . . . . 0.0 112.185 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -43.41 -52.94 4.64 Favored 'Trans proline' 0 CA--C 1.548 1.21 0 C-N-CA 123.326 2.684 . . . . 0.0 115.286 173.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.88 -21.33 33.08 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.737 2.291 . . . . 0.0 115.851 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -57.14 -39.47 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 120.849 1.659 . . . . 0.0 111.401 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -68.53 -45.23 72.76 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 122.715 0.406 . . . . 0.0 111.38 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.87 -39.47 77.88 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.11 0.964 . . . . 0.0 112.738 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.98 -54.45 26.07 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.427 1.091 . . . . 0.0 111.564 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.425 ' CE2' HD13 ' B' ' 114' ' ' LEU . 8.1 m-85 -58.19 -44.62 88.14 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.411 -0.805 . . . . 0.0 111.904 173.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -54.64 -44.57 73.31 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.043 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -63.61 -49.64 72.53 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 120.022 1.283 . . . . 0.0 113.752 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 8.7 p -62.53 -38.75 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 CA-C-N 119.689 1.132 . . . . 0.0 111.926 177.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.442 HG11 ' CA ' ' B' ' 107' ' ' GLY . 60.8 t -67.06 -39.92 84.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 123.572 0.749 . . . . 0.0 112.334 176.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.37 98.08 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.193 0.906 . . . . 0.0 111.87 175.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.03 -45.21 95.57 Favored Glycine 0 CA--C 1.533 1.158 0 O-C-N 121.791 -0.568 . . . . 0.0 112.535 170.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 137' ' ' VAL . . . . . 0.428 HG22 ' CE2' ' B' ' 85' ' ' PHE . 1.9 t -55.07 -52.4 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.875 0.87 . . . . 0.0 111.71 170.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.26 92.03 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.523 1.056 . . . . 0.0 112.058 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -57.44 -50.08 74.18 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.683 0.793 . . . . 0.0 111.501 173.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.93 99.14 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 177.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.22 -25.61 65.3 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.404 -1.435 . . . . 0.0 112.849 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.9 -3.63 58.79 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 171.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -49.16 -37.5 22.54 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -168.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -76.1 -3.71 37.53 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 46.9 p90 . . . . . 0 CA--C 1.551 0.999 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 176.339 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.513 2.717 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -146.78 161.28 40.99 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.978 1.311 . . . . 0.0 111.615 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -71.84 155.68 91.86 Favored Pre-proline 0 N--CA 1.481 1.095 0 C-N-CA 123.964 0.906 . . . . 0.0 112.229 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -67.93 -41.0 8.33 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.886 2.39 . . . . 0.0 114.26 -168.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.31 88.77 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.495 0.589 . . . . 0.0 112.015 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -56.7 -49.75 74.19 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.279 0.632 . . . . 0.0 111.032 176.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -55.61 -44.7 77.28 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.475 0.71 . . . . 0.0 110.848 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 85.3 m -59.46 -42.79 92.82 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.193 0.597 . . . . 0.0 111.487 177.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -64.79 -38.86 92.41 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.14 0.882 . . . . 0.0 112.07 174.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 95.6 t -62.29 -49.43 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 118.698 0.681 . . . . 0.0 111.194 173.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.61 -44.21 96.57 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.988 0.813 . . . . 0.0 111.372 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.34 -52.43 65.65 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.355 0.662 . . . . 0.0 111.503 175.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.19 -55.98 28.06 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.522 0.729 . . . . 0.0 112.038 177.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' TRP . . . . . 0.413 ' CZ3' HG11 ' C' ' 17' ' ' VAL . 20.3 t-105 -63.3 -28.89 70.33 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.47 -0.769 . . . . 0.0 112.899 -176.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.75 -43.63 91.85 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.421 1.01 . . . . 0.0 113.434 169.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -73.69 -31.58 63.51 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 118.576 1.188 . . . . 0.0 111.773 174.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.424 HG12 ' HB2' ' C' ' 21' ' ' ALA . 90.6 t -67.69 -20.95 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.17 1.388 . . . . 0.0 113.327 176.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.6 139.62 2.47 Favored Glycine 0 CA--C 1.542 1.764 0 C-N-CA 124.934 1.254 . . . . 0.0 114.537 175.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 61.57 -35.79 0.11 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 128.308 2.643 . . . . 0.0 116.38 -168.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -75.69 -20.3 58.51 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.632 1.106 . . . . 0.0 113.604 174.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.424 ' HB2' HG12 ' C' ' 17' ' ' VAL . . . -47.45 -45.05 25.45 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.156 1.782 . . . . 0.0 115.095 -171.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.66 -35.56 91.25 Favored Glycine 0 N--CA 1.47 0.95 0 O-C-N 121.438 -0.789 . . . . 0.0 113.561 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -63.85 -46.88 83.0 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.156 0.982 . . . . 0.0 110.308 174.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -60.37 -39.97 89.13 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.481 0.712 . . . . 0.0 112.247 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.82 -48.53 83.34 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 118.694 0.679 . . . . 0.0 112.781 172.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.86 -46.3 89.74 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.187 0.994 . . . . 0.0 112.146 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -62.29 -40.01 94.84 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.581 -0.7 . . . . 0.0 112.64 173.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.423 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -62.77 -39.89 95.61 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.257 0.935 . . . . 0.0 112.408 178.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 56.9 mt -65.49 -49.55 68.61 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.491 1.116 . . . . 0.0 111.865 173.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.35 -43.13 99.39 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.672 -0.643 . . . . 0.0 112.461 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -60.49 -46.66 89.32 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.294 -0.879 . . . . 0.0 111.899 172.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 38.3 ttp -54.24 -48.43 71.14 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.687 1.13 . . . . 0.0 112.03 173.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.93 -52.22 51.58 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.489 1.115 . . . . 0.0 112.99 176.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -85.88 -30.31 23.0 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -173.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 70.0 m -69.45 -28.24 65.94 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.428 1.013 . . . . 0.0 113.498 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -139.26 76.77 31.39 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 124.553 1.141 . . . . 0.0 109.684 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -48.91 -29.2 14.72 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 124.976 3.784 . . . . 0.0 116.891 -169.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 3.9 p -52.79 -35.96 57.52 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.67 1.188 . . . . 0.0 112.872 172.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 62.6 p -56.85 -27.06 59.76 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 176.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -28.78 66.28 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.624 1.102 . . . . 0.0 112.736 174.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.44 -23.12 56.63 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.49 1.116 . . . . 0.0 113.896 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.12 -38.27 79.21 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.011 0.368 . . . . 0.0 111.921 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 28.02 53.48 0.42 Allowed Pre-proline 0 CA--C 1.558 1.282 0 C-N-CA 128.669 2.787 . . . . 0.0 115.257 172.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.01 -57.37 0.16 Allowed 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 122.964 2.443 . . . . 0.0 113.389 -159.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -158.42 27.72 0.24 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.999 1.32 . . . . 0.0 112.693 171.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.78 173.78 11.19 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.938 1.295 . . . . 0.0 113.302 -175.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -141.56 158.41 43.88 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.413 1.485 . . . . 0.0 111.47 -177.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 19.3 mt -121.23 31.35 6.39 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.339 1.055 . . . . 0.0 112.081 -156.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 90.7 p -64.44 17.14 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 128.37 2.668 . . . . 0.0 117.438 -170.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 8.2 t60 69.86 127.89 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 128.731 2.812 . . . . 0.0 113.083 -172.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.78 20.4 75.88 Favored Glycine 0 CA--C 1.54 1.65 0 O-C-N 121.437 -0.79 . . . . 0.0 114.739 -174.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 13.9 t -57.4 125.86 24.71 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.296 1.438 . . . . 0.0 113.263 -176.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.81 -34.98 70.23 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.071 0.949 . . . . 0.0 112.666 173.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -71.12 -39.37 72.07 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.641 -0.662 . . . . 0.0 111.846 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.35 -42.33 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 119.043 0.838 . . . . 0.0 111.409 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -59.1 -49.31 78.35 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.149 0.98 . . . . 0.0 112.028 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.37 -47.01 91.35 Favored Glycine 0 N--CA 1.47 0.93 0 C-N-CA 124.211 0.91 . . . . 0.0 112.885 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -58.47 -40.54 82.99 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.492 -1.005 . . . . 0.0 111.755 172.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.24 -51.24 52.12 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.432 1.015 . . . . 0.0 113.609 171.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -57.03 -37.62 72.02 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 118.456 1.128 . . . . 0.0 113.255 171.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -69.68 -46.24 66.53 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.23 0.923 . . . . 0.0 112.312 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 91.1 t -56.21 -46.22 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 119.383 0.992 . . . . 0.0 110.495 171.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 63' ' ' ALA . . . . . 0.416 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -59.97 -50.31 74.25 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 176.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -60.3 -40.54 90.85 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.795 0.725 . . . . 0.0 112.147 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.86 84.57 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 171.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.95 -45.67 84.78 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.498 -0.763 . . . . 0.0 111.268 170.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 28.6 m -55.72 -45.44 77.93 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 120.127 1.33 . . . . 0.0 112.045 173.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -57.37 -50.05 74.2 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.381 1.472 . . . . 0.0 111.5 172.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.76 77.84 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 174.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.24 -44.97 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 119.581 1.082 . . . . 0.0 110.825 173.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.13 -26.07 68.65 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.508 1.123 . . . . 0.0 113.469 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -130.6 34.67 4.11 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.315 1.446 . . . . 0.0 112.71 -174.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 12.1 p -58.95 -8.46 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -107.83 -2.33 20.03 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.607 1.563 . . . . 0.0 114.871 171.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -140.79 1.78 1.72 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.113 1.765 . . . . 0.0 113.926 -174.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 76' ' ' MET . . . . . 0.457 ' HA ' ' HB3' ' C' ' 79' ' ' ALA 0.31 0.0 OUTLIER -61.74 -19.62 0.55 Allowed Pre-proline 0 CA--C 1.545 0.763 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 -174.962 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -44.18 -32.83 5.28 Favored 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 123.502 2.802 . . . . 0.0 116.278 165.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -102.92 -34.55 8.91 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 172.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 79' ' ' ALA . . . . . 0.457 ' HB3' ' HA ' ' C' ' 76' ' ' MET . . . -63.86 -16.62 61.79 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 59.6 mt -110.16 17.05 21.38 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.488 1.515 . . . . 0.0 112.642 175.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 81.4 p -53.69 -43.16 68.72 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.643 1.111 . . . . 0.0 113.865 -175.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.11 -23.94 62.55 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.895 0.878 . . . . 0.0 113.349 173.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mt -95.34 -32.73 12.82 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.074 -1.016 . . . . 0.0 111.411 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 23.0 t -52.24 -42.78 63.91 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 157.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.73 -39.24 93.46 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.612 -1.305 . . . . 0.0 114.009 171.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.42 -39.3 67.21 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 120.341 1.428 . . . . 0.0 112.24 168.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -86.89 -18.09 31.71 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.52 -35.55 8.28 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -143.82 -54.95 0.37 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -54.13 -40.86 67.76 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 120.767 1.621 . . . . 0.0 113.631 -168.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 mt -136.48 -5.01 2.04 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 171.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 48.61 37.08 8.61 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 126.594 1.958 . . . . 0.0 115.161 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 45.0 t -47.68 124.41 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 126.082 1.753 . . . . 0.0 113.447 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.38 118.29 48.92 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 124.748 1.219 . . . . 0.0 112.605 176.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -46.78 -35.82 18.37 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 125.105 3.87 . . . . 0.0 116.628 -176.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 10.8 p -54.32 -34.83 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 O-C-N 120.981 -1.075 . . . . 0.0 112.901 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -64.07 -33.67 76.28 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.423 -0.798 . . . . 0.0 111.44 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 98' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' C' ' 133' ' ' SER . 0.0 OUTLIER -57.72 -44.98 86.36 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 120.969 -1.082 . . . . 0.0 110.482 170.82 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -60.95 -40.0 91.63 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.222 0.609 . . . . 0.0 110.492 -172.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.73 -60.13 3.93 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.365 0.666 . . . . 0.0 110.582 172.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -35.06 70.22 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.103 0.865 . . . . 0.0 112.182 -176.06 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 42.0 t -56.54 -53.72 54.2 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.062 1.745 . . . . 0.0 112.523 174.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -60.18 -41.52 93.07 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.432 -0.792 . . . . 0.0 111.516 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 104' ' ' CYS . . . . . 0.423 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 77.6 m -66.49 -24.38 66.4 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 27.1 mt -75.38 -48.46 22.83 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.685 1.13 . . . . 0.0 111.406 169.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 32.8 mt -50.51 -43.87 55.91 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.939 0.79 . . . . 0.0 111.777 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.12 -37.54 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 175.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 22.0 p -74.83 -32.08 61.85 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 120.806 1.639 . . . . 0.0 112.07 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.52 -51.5 69.59 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.233 0.924 . . . . 0.0 109.238 165.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.15 -24.3 67.63 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.73 -10.77 21.29 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 174.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -131.4 -36.16 1.29 Allowed 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.7 mp -77.5 156.1 81.1 Favored Pre-proline 0 CA--C 1.559 1.308 0 CA-C-N 119.353 0.979 . . . . 0.0 111.559 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -54.29 -36.22 86.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 124.065 3.177 . . . . 0.0 116.254 -170.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.81 -48.11 0.21 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.468 1.107 . . . . 0.0 111.361 173.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 67.19 -9.25 0.4 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -116.02 6.17 14.04 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -166.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 3.7 p -56.78 158.38 8.83 Favored Pre-proline 0 N--CA 1.47 0.564 0 C-N-CA 123.278 0.631 . . . . 0.0 111.21 -178.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -50.63 -41.83 52.12 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.668 2.245 . . . . 0.0 113.999 172.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.49 -53.28 50.69 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.213 0.46 . . . . 0.0 111.696 174.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 44.5 t -72.5 -48.02 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 O-C-N 121.469 -0.769 . . . . 0.0 112.369 -172.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -41.72 61.77 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.958 1.254 . . . . 0.0 112.984 -175.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.8 -46.54 87.35 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.382 1.446 . . . . 0.0 110.665 174.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 45.8 t -57.19 -61.1 2.71 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 118.986 -0.53 . . . . 0.0 112.119 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.38 -41.69 98.8 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 119.513 1.051 . . . . 0.0 113.551 -175.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.9 -48.19 80.58 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 119.772 1.169 . . . . 0.0 111.357 177.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 127' ' ' LYS . . . . . 0.428 ' HA ' ' HB3' ' C' ' 130' ' ' ALA 0.32 0.0 OUTLIER -83.08 -18.01 41.13 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.957 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -71.76 -46.61 57.87 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.466 1.106 . . . . 0.0 112.082 164.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.42 -33.51 72.61 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 120.416 -1.427 . . . . 0.0 110.842 170.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 130' ' ' ALA . . . . . 0.428 ' HB3' ' HA ' ' C' ' 127' ' ' LYS . . . -64.17 -41.56 97.07 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 168.224 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 90.8 p -69.38 -42.56 75.02 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 121.708 2.049 . . . . 0.0 112.743 176.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 75.3 t -53.03 -46.74 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.943 1.297 . . . . 0.0 110.502 167.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 133' ' ' SER . . . . . 0.44 ' HB2' ' CE1' ' C' ' 98' ' ' PHE . 43.1 t -59.52 -51.01 71.69 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 118.146 -0.931 . . . . 0.0 113.106 171.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 47.5 m -50.82 -36.15 35.82 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.457 1.48 . . . . 0.0 112.616 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 54.7 t -72.66 -49.32 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 O-C-N 121.594 -0.691 . . . . 0.0 112.26 170.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.35 -39.11 69.65 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.479 1.036 . . . . 0.0 113.46 175.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 72.8 p -86.8 4.87 39.24 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 125.931 1.692 . . . . 0.0 113.366 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 CA--C 1.546 0.796 0 CA-C-O 121.961 0.886 . . . . 0.0 112.7 170.686 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 1' ' ' VAL . . . . . 0.413 HG11 ' HA ' ' D' ' 133' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.515 2.792 0 CA-C-O 119.34 -0.362 . . . . 0.0 110.714 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -132.14 74.27 1.57 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.884 1.274 . . . . 0.0 110.663 -171.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.76 157.59 9.27 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 121.301 -0.875 . . . . 0.0 111.016 176.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 5.4 p -63.53 151.9 86.96 Favored Pre-proline 0 N--CA 1.479 1.008 0 CA-C-O 118.553 -0.737 . . . . 0.0 109.306 167.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.63 -37.11 91.08 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.369 2.046 . . . . 0.0 114.017 175.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -70.78 -44.61 66.32 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.303 0.641 . . . . 0.0 112.161 177.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -66.28 -38.44 87.79 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.315 -0.866 . . . . 0.0 111.56 174.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -57.0 -46.36 82.33 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.672 1.123 . . . . 0.0 111.279 172.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 21.6 t -58.33 -45.71 87.58 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.651 0.66 . . . . 0.0 110.912 173.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.76 -49.65 74.65 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 6.5 p -67.86 -50.69 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 CA-C-N 119.36 0.982 . . . . 0.0 112.098 173.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 10.0 m -72.11 -36.06 69.34 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.991 0.814 . . . . 0.0 111.788 -168.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.11 -36.14 74.64 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.762 -1.211 . . . . 0.0 112.219 175.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -69.15 -38.74 78.95 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.334 -0.854 . . . . 0.0 110.608 172.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -55.1 -42.17 72.57 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.678 -0.639 . . . . 0.0 111.742 166.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.41 -26.81 45.75 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 126.636 2.065 . . . . 0.0 116.466 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 -3.62 15.05 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 119.56 1.68 . . . . 0.0 114.51 171.098 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.51 136.31 20.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 124.277 1.031 . . . . 0.0 111.41 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -90.78 87.62 6.75 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 74.2 t -50.8 -38.96 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -165.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -71.74 -37.58 70.56 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 177.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -80.8 -55.17 4.99 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.091 0.556 . . . . 0.0 110.589 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.33 -32.01 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 121.169 -0.957 . . . . 0.0 112.077 176.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.96 -43.78 32.81 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-N 119.422 1.01 . . . . 0.0 112.105 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.15 -48.14 82.13 Favored Glycine 0 N--CA 1.466 0.69 0 CA-C-N 118.083 0.942 . . . . 0.0 112.604 168.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.8 -28.67 67.79 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 117.837 -1.078 . . . . 0.0 112.802 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.28 -63.9 0.97 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 121.562 1.983 . . . . 0.0 111.175 173.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 23.1 tp -67.67 -35.21 78.43 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.499 -0.751 . . . . 0.0 111.305 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.445 ' O ' HG13 ' D' ' 33' ' ' VAL . . . -52.52 -58.9 9.93 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-O 118.125 -1.375 . . . . 0.0 111.523 163.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 30' ' ' ARG . . . . . 0.431 ' HD2' ' HE2' ' D' ' 116' ' ' HIS . 0.5 OUTLIER -49.98 -43.53 50.37 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.658 1.729 . . . . 0.0 112.533 -179.624 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 31' ' ' LEU . . . . . 0.433 ' HA ' HG21 ' D' ' 109' ' ' VAL . 16.2 tp -52.02 -51.73 55.48 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.951 1.705 . . . . 0.0 110.559 175.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 mp -83.89 -9.16 58.94 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 117.555 -1.212 . . . . 0.0 113.058 -176.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 33' ' ' VAL . . . . . 0.445 HG13 ' O ' ' D' ' 29' ' ' GLY . 2.0 m -75.2 -26.05 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 121.212 1.824 . . . . 0.0 114.237 167.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.16 8.22 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-N 121.021 1.737 . . . . 0.0 113.752 -176.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 47.66 39.52 0.59 Allowed Pre-proline 0 CA--C 1.559 1.301 0 C-N-CA 126.489 1.916 . . . . 0.0 115.477 -167.143 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -76.52 160.59 35.03 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.762 1.642 . . . . 0.0 112.241 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 9.5 p90 -54.38 -26.3 29.45 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.726 1.611 . . . . 0.0 113.897 169.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 16.4 p -59.93 -15.94 25.86 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 171.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -52.92 -20.74 3.59 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 166.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -48.11 -29.77 3.92 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 173.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.05 5.14 42.46 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -177.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -55.05 -17.59 4.14 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -175.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -53.71 -31.68 49.03 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.424 1.09 . . . . 0.0 112.617 172.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 74.9 m -83.98 -2.07 55.88 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.224 1.409 . . . . 0.0 114.359 173.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -118.01 -27.04 6.24 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.164 1.386 . . . . 0.0 112.927 -169.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.36 -135.33 13.53 Favored Glycine 0 CA--C 1.534 1.28 0 CA-C-N 120.096 1.316 . . . . 0.0 113.449 175.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -47.12 95.48 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.2 2.2 . . . . 0.0 114.197 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 tt -147.36 -16.73 0.39 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -173.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -58.59 -12.78 4.45 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.675 1.732 . . . . 0.0 115.675 -173.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 35.4 p -136.31 156.83 76.43 Favored Pre-proline 0 N--CA 1.473 0.686 0 C-N-CA 126.484 1.914 . . . . 0.0 111.002 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.66 -41.15 49.49 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.211 2.608 . . . . 0.0 114.888 -172.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.94 -37.24 81.37 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.727 -0.608 . . . . 0.0 112.616 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.34 -53.16 61.42 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.912 0.885 . . . . 0.0 112.347 -175.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -61.9 -27.64 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -175.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 32.5 ttm -84.3 -26.22 28.7 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.48 -31.67 10.21 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 123.892 0.758 . . . . 0.0 114.078 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -39.4 113.83 0.87 Allowed Pre-proline 0 CA--C 1.557 1.25 0 C-N-CA 128.48 2.712 . . . . 0.0 115.173 -177.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.27 -41.95 68.76 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 124.161 3.241 . . . . 0.0 114.781 175.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -65.66 -39.87 91.81 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.008 1.323 . . . . 0.0 111.865 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 69.4 t -64.45 -41.94 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 123.647 0.779 . . . . 0.0 111.288 171.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -63.86 -43.46 96.02 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.78 1.173 . . . . 0.0 112.313 173.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.94 -52.81 61.58 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.433 1.093 . . . . 0.0 112.788 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -63.79 -33.24 75.23 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 120.963 -1.086 . . . . 0.0 111.845 173.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.68 -49.83 67.46 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.712 1.149 . . . . 0.0 113.497 169.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -55.96 -41.37 74.62 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.12 0.96 . . . . 0.0 111.419 169.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -71.11 -47.71 56.53 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 6.5 m -58.49 -40.14 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-N 120.709 1.595 . . . . 0.0 110.696 172.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 2.9 tt -69.86 -33.2 71.94 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.596 -0.69 . . . . 0.0 112.439 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.53 -37.72 83.9 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 125.494 1.521 . . . . 0.0 113.149 167.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.63 -46.72 71.68 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.532 1.166 . . . . 0.0 111.854 170.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 71' ' ' PHE . . . . . 0.407 ' CD2' HD22 ' D' ' 110' ' ' LEU . 21.6 m-85 -57.43 -38.69 74.77 Favored 'General case' 0 CA--C 1.551 0.99 0 O-C-N 121.062 -1.024 . . . . 0.0 112.513 174.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 79.5 p -78.33 -36.54 46.17 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -57.16 -36.38 70.68 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.446 1.021 . . . . 0.0 110.951 165.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.91 -60.15 9.2 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-O 119.52 -0.6 . . . . 0.0 111.832 166.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mt -53.97 -27.21 29.97 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 176.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.75 -23.04 25.61 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.507 1.523 . . . . 0.0 114.725 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -139.93 38.08 1.97 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.381 1.472 . . . . 0.0 112.592 -169.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 65.6 mt -53.99 -23.26 12.67 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -174.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -64.26 -25.73 68.19 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.788 1.635 . . . . 0.0 114.779 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -157.39 86.66 0.95 Allowed 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.493 1.042 . . . . 0.0 113.059 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.25 -29.33 62.69 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -69.64 -18.43 63.59 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 120.927 -1.108 . . . . 0.0 113.743 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -93.78 -43.22 3.95 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 124.575 1.083 . . . . 0.0 113.422 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 22.6 p -65.36 -31.72 72.99 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 118.617 1.209 . . . . 0.0 112.894 175.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 85' ' ' PHE . . . . . 0.427 ' CE2' HG22 ' D' ' 137' ' ' VAL . 14.4 m-85 -105.8 12.25 31.04 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -176.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.12 -41.59 65.18 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 121.243 1.838 . . . . 0.0 113.421 -177.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 22.0 p -66.12 -41.61 90.28 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.15 1.38 . . . . 0.0 112.812 173.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 44.3 mt -68.68 -35.86 77.76 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.564 0.745 . . . . 0.0 111.764 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 5.5 t -63.62 -45.89 88.24 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 124.423 1.089 . . . . 0.0 110.054 172.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -56.98 -48.69 77.82 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.065 -1.022 . . . . 0.0 112.184 171.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 51.4 tp -52.82 -56.12 18.08 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.997 0.817 . . . . 0.0 110.724 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -76.44 18.87 0.28 Allowed 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 84.0 m -135.66 -76.18 0.44 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.771 1.228 . . . . 0.0 110.902 171.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.37 -29.87 70.18 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.416 1.486 . . . . 0.0 113.872 -175.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -102.19 -39.69 7.13 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.071 0.949 . . . . 0.0 111.931 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 96' ' ' LEU . . . . . 0.414 ' C ' ' H ' ' D' ' 98' ' ' VAL . 0.0 OUTLIER -142.31 79.17 1.65 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.795 1.638 . . . . 0.0 110.444 -176.054 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -67.25 30.12 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 125.635 1.574 . . . . 0.0 113.735 172.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 98' ' ' VAL . . . . . 0.414 ' H ' ' C ' ' D' ' 96' ' ' LEU . 77.6 t -41.2 137.27 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 129.295 3.038 . . . . 0.0 111.759 175.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -61.77 141.47 95.15 Favored Pre-proline 0 CA--C 1.554 1.125 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -173.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -63.89 -28.23 67.14 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.003 2.469 . . . . 0.0 114.626 -169.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -56.68 -37.23 70.56 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.058 -1.026 . . . . 0.0 112.058 173.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -59.16 -37.29 76.99 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.47 -0.769 . . . . 0.0 111.824 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -69.29 -45.96 68.35 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.892 0.877 . . . . 0.0 111.241 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -59.13 -42.39 90.53 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.906 0.482 . . . . 0.0 111.266 175.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.79 -43.85 98.02 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.835 0.854 . . . . 0.0 113.052 173.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 2.6 tt -61.28 -31.03 70.85 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.403 1.456 . . . . 0.0 111.757 170.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 107' ' ' GLY . . . . . 0.443 ' CA ' HG11 ' D' ' 134' ' ' VAL . . . -64.96 -55.35 22.53 Favored Glycine 0 CA--C 1.526 0.728 0 O-C-N 120.174 -1.579 . . . . 0.0 114.683 170.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -59.26 -21.18 59.22 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.734 -0.862 . . . . 0.0 112.308 171.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 109' ' ' VAL . . . . . 0.433 HG21 ' HA ' ' D' ' 31' ' ' LEU . 10.9 t -65.68 -56.19 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 O-C-N 119.932 -1.73 . . . . 0.0 112.245 166.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 110' ' ' LEU . . . . . 0.407 HD22 ' CD2' ' D' ' 71' ' ' PHE . 59.4 tp -53.0 -51.15 62.57 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 119.164 0.893 . . . . 0.0 111.542 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 m -56.5 -37.24 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.305 -175.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 35.4 m -77.54 -37.62 50.42 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-O 117.193 -1.384 . . . . 0.0 112.896 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 113' ' ' VAL . . . . . 0.561 ' HA ' ' CD2' ' D' ' 116' ' ' HIS . 6.0 p -60.67 -32.69 52.38 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 CA-C-N 121.89 2.132 . . . . 0.0 112.789 173.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 114' ' ' LEU . . . . . 0.427 HD13 ' CE2' ' D' ' 130' ' ' TYR . 28.0 mt -62.24 -40.57 96.6 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.647 -0.658 . . . . 0.0 110.995 171.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 115' ' ' ALA . . . . . 0.403 ' HB2' ' CD2' ' D' ' 122' ' ' PHE . . . -65.39 -35.85 82.19 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.445 0.905 . . . . 0.0 113.445 169.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 116' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' D' ' 113' ' ' VAL . 6.8 m-70 -66.42 -32.86 74.51 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.081 0.953 . . . . 0.0 111.959 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -91.63 -37.61 12.96 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.719 0.808 . . . . 0.0 112.698 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -121.73 35.81 4.79 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.742 1.217 . . . . 0.0 113.18 -169.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -43.26 -47.55 6.75 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 126.064 1.792 . . . . 0.0 116.813 -173.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -23.22 67.3 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 178.031 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.13 -3.31 21.61 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.22 1.808 . . . . 0.0 112.106 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 122' ' ' PHE . . . . . 0.403 ' CD2' ' HB2' ' D' ' 115' ' ' ALA . 17.3 t80 -78.86 64.51 3.84 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.13 1.372 . . . . 0.0 111.911 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 60.0 p -59.44 157.38 25.62 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 125.09 1.356 . . . . 0.0 112.126 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -43.87 -52.67 5.22 Favored 'Trans proline' 0 CA--C 1.547 1.17 0 C-N-CA 123.247 2.631 . . . . 0.0 115.225 173.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -69.94 -21.57 32.47 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.794 2.329 . . . . 0.0 115.662 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 1.1 t -56.77 -39.49 64.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 120.997 1.726 . . . . 0.0 111.581 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -68.59 -45.31 72.35 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 122.737 0.415 . . . . 0.0 111.348 176.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.3 77.78 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.002 0.921 . . . . 0.0 112.663 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.13 -54.4 26.01 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.391 1.076 . . . . 0.0 111.566 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 130' ' ' TYR . . . . . 0.427 ' CE2' HD13 ' D' ' 114' ' ' LEU . 8.0 m-85 -58.24 -44.64 88.37 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.487 -0.758 . . . . 0.0 111.837 173.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -54.55 -44.54 72.97 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.563 -0.732 . . . . 0.0 112.157 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -63.59 -49.7 72.34 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.965 1.257 . . . . 0.0 113.711 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 133' ' ' VAL . . . . . 0.413 ' HA ' HG11 ' D' ' 1' ' ' VAL . 8.9 p -62.44 -38.82 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-N 119.667 1.121 . . . . 0.0 111.914 177.134 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 134' ' ' VAL . . . . . 0.443 HG11 ' CA ' ' D' ' 107' ' ' GLY . 61.6 t -67.13 -39.86 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 123.466 0.706 . . . . 0.0 112.349 176.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.62 -41.36 98.29 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.366 0.985 . . . . 0.0 111.909 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.21 -45.21 95.7 Favored Glycine 0 CA--C 1.533 1.176 0 O-C-N 121.915 -0.491 . . . . 0.0 112.534 170.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 137' ' ' VAL . . . . . 0.427 HG22 ' CE2' ' D' ' 85' ' ' PHE . 1.9 t -54.83 -52.64 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.883 0.873 . . . . 0.0 111.73 170.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.4 91.1 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.577 1.081 . . . . 0.0 112.183 -178.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -57.35 -50.11 74.01 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.71 0.804 . . . . 0.0 111.492 172.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.89 99.09 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 13.9 mt -68.18 -25.6 65.33 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.282 -1.512 . . . . 0.0 112.827 175.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.93 -3.5 58.75 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 171.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -49.34 -37.49 24.73 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -168.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -75.99 -3.71 37.14 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -142.14 3.25 1.56 Allowed 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.259 1.554 0 C-N-CA 126.383 1.873 . . . . 0.0 115.652 -175.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.509 2.493 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.8 mt -136.19 -179.13 5.49 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.739 1.616 . . . . 0.0 111.276 -173.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -112.47 166.09 11.7 Favored Pre-proline 0 N--CA 1.479 1.008 0 C-N-CA 126.097 1.759 . . . . 0.0 110.54 -172.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -78.62 -42.55 0.2 Allowed 'Trans proline' 0 CA--C 1.538 0.694 0 CA-C-N 121.583 1.601 . . . . 0.0 113.134 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.27 -33.48 75.4 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.05 -43.22 81.77 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.18 0.446 . . . . 0.0 110.964 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -55.95 -48.79 75.12 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.45 1.1 . . . . 0.0 110.954 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -56.83 -44.78 82.39 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.639 0.776 . . . . 0.0 111.437 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -67.89 -39.44 83.64 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.691 0.678 . . . . 0.0 112.482 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.7 t -61.99 -51.61 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.716 0.806 . . . . 0.0 110.654 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -60.44 -42.81 96.86 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.748 0.704 . . . . 0.0 111.179 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.9 -50.25 73.98 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.207 0.603 . . . . 0.0 111.685 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.35 -54.17 44.36 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.549 0.613 . . . . 0.0 111.975 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -63.01 -26.32 68.8 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -176.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.83 -38.56 94.19 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.445 1.022 . . . . 0.0 113.78 168.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.2 mmtt -73.72 -33.07 64.2 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 118.088 0.944 . . . . 0.0 111.673 173.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.437 HG13 ' CD2' ' A' ' 24' ' ' TYR . 99.9 t -68.85 -24.78 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.539 1.536 . . . . 0.0 113.092 176.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.77 125.41 1.75 Allowed Glycine 0 CA--C 1.541 1.69 0 C-N-CA 125.133 1.349 . . . . 0.0 114.13 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 77.33 -38.68 0.29 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 128.997 2.919 . . . . 0.0 114.655 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -74.77 -17.66 60.6 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.152 0.981 . . . . 0.0 113.152 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' HB2' HG12 ' A' ' 17' ' ' VAL . . . -44.85 -49.75 10.69 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.155 2.182 . . . . 0.0 114.754 -172.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.41 -37.44 94.82 Favored Glycine 0 N--CA 1.469 0.865 0 O-C-N 121.957 -0.464 . . . . 0.0 113.594 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -41.94 83.74 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.709 0.804 . . . . 0.0 111.067 175.161 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.437 ' CD2' HG13 ' A' ' 17' ' ' VAL . 14.8 m-30 -63.91 -39.6 94.55 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.276 0.943 . . . . 0.0 112.233 174.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.39 -59.16 11.35 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 123.708 0.67 . . . . 0.0 111.607 170.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.63 -52.3 40.85 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.466 1.506 . . . . 0.0 112.716 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.16 -38.16 79.06 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.961 1.304 . . . . 0.0 112.398 175.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.28 82.34 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.188 0.904 . . . . 0.0 112.307 177.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 mt -62.61 -47.92 81.67 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.324 0.511 . . . . 0.0 110.286 170.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -46.93 87.46 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.415 0.686 . . . . 0.0 111.131 -177.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -54.81 -50.73 67.84 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.877 1.271 . . . . 0.0 111.397 169.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 49.8 ttp -57.14 -44.29 83.25 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.513 1.052 . . . . 0.0 112.084 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.79 -23.08 65.98 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.7 mt -98.32 -40.97 8.07 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.867 0.867 . . . . 0.0 110.7 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.9 m -77.29 -18.75 57.28 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.881 2.073 . . . . 0.0 113.588 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -140.38 80.54 19.1 Favored Pre-proline 0 CA--C 1.537 0.471 0 C-N-CA 126.003 1.721 . . . . 0.0 108.849 174.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -45.91 -26.53 3.43 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 124.434 3.423 . . . . 0.0 114.36 174.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.607 ' O ' HG22 ' A' ' 41' ' ' THR . 41.7 m -41.16 -29.4 0.12 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.292 2.237 . . . . 0.0 115.991 164.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.8 p -80.99 -25.56 37.19 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 122.908 2.594 . . . . 0.0 113.926 175.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -56.71 -35.05 68.08 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 119.975 1.262 . . . . 0.0 111.753 168.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 38' ' ' THR . 0.6 OUTLIER -62.82 -19.47 64.1 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 175.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.35 0.72 3.58 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.029 -1.045 . . . . 0.0 113.632 171.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.7 t80 59.8 60.29 4.34 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 125.653 1.581 . . . . 0.0 112.373 171.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -59.22 136.96 76.03 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 124.006 3.137 . . . . 0.0 113.307 -167.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -78.16 13.99 1.3 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.796 1.238 . . . . 0.0 113.777 175.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -139.56 151.83 46.39 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.885 1.674 . . . . 0.0 111.406 -173.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -83.05 146.97 28.42 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.294 0.638 . . . . 0.0 111.324 169.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.8 28.34 1.16 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.972 0.909 . . . . 0.0 113.429 -172.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.5 p -62.62 -56.81 14.35 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.247 1.019 . . . . 0.0 112.667 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -163.86 141.08 7.04 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.259 1.824 . . . . 0.0 110.863 172.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.77 25.64 59.19 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 116.44 1.336 . . . . 0.0 116.44 168.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.9 t -55.79 133.42 51.04 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.177 1.391 . . . . 0.0 114.338 -170.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.43 -27.14 65.79 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.197 1.399 . . . . 0.0 113.513 172.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -84.72 -40.49 17.26 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.4 0.68 . . . . 0.0 111.341 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.7 t -65.19 -41.03 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-O 118.639 -0.696 . . . . 0.0 112.095 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -61.47 -40.34 94.19 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 119.908 1.231 . . . . 0.0 112.942 174.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.38 -52.42 31.21 Favored Glycine 0 N--CA 1.472 1.063 0 C-N-CA 124.354 0.978 . . . . 0.0 112.222 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.26 -40.8 74.78 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.039 0.935 . . . . 0.0 111.941 173.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.49 -49.51 68.79 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 124.036 0.826 . . . . 0.0 113.328 172.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -55.49 -41.72 73.44 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.533 1.166 . . . . 0.0 112.262 171.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -61.38 -50.88 71.11 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.316 0.962 . . . . 0.0 112.166 175.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.4 t -57.7 -42.45 81.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 CA-C-N 119.326 0.967 . . . . 0.0 110.92 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.416 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -62.7 -47.23 84.55 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 176.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -61.18 -38.38 86.33 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.377 0.99 . . . . 0.0 111.929 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.0 99.9 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.742 -0.599 . . . . 0.0 112.422 171.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.57 -45.09 92.86 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.302 170.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.0 m -56.11 -45.41 79.48 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.761 1.164 . . . . 0.0 111.722 172.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -27.72 67.13 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 120.344 1.429 . . . . 0.0 112.769 176.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.01 -45.9 69.34 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.244 0.929 . . . . 0.0 111.413 169.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.8 t -59.73 -46.83 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 119.808 1.186 . . . . 0.0 111.368 174.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.81 -26.13 67.92 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.86 1.264 . . . . 0.0 113.949 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -130.66 32.71 4.35 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.858 1.263 . . . . 0.0 111.002 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.7 p -60.78 -20.96 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -164.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.43 6.59 26.39 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 119.752 1.16 . . . . 0.0 113.359 170.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -141.26 29.32 1.81 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 128.031 2.533 . . . . 0.0 110.832 -165.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -112.81 40.07 0.21 Allowed Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 125.243 1.417 . . . . 0.0 114.587 -175.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -64.7 -29.05 60.13 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 CA-C-N 122.935 2.084 . . . . 0.0 113.257 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -130.25 -0.3 4.58 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.86 -16.18 63.7 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.115 -1.615 . . . . 0.0 114.344 -174.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.8 mt -104.1 13.52 32.3 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.966 1.306 . . . . 0.0 111.835 169.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.6 t -57.93 -41.99 83.9 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 119.948 1.249 . . . . 0.0 112.208 -172.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.25 -27.21 44.81 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 172.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.2 mt -87.82 -38.46 15.69 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.427 1.091 . . . . 0.0 110.517 -178.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.7 p -64.61 -33.75 76.67 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 168.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -62.01 -48.11 81.78 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.955 1.302 . . . . 0.0 110.779 170.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.6 tp -53.33 -44.47 68.48 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 121.284 -0.885 . . . . 0.0 112.033 169.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -76.88 18.03 0.38 Allowed 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 125.711 1.604 . . . . 0.0 114.105 175.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.34 -46.08 0.17 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -176.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -59.15 -35.29 73.24 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.61 1.164 . . . . 0.0 111.571 172.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -144.56 -172.05 3.73 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 128.672 2.789 . . . . 0.0 109.114 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 82.3 mt 27.1 73.31 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.077 2.151 . . . . 0.0 114.208 167.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -38.57 -54.62 1.51 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.209 1.403 . . . . 0.0 112.714 -177.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 98.6 t 48.06 71.82 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 122.809 1.29 . . . . 0.0 111.13 176.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -58.7 147.21 71.99 Favored Pre-proline 0 CA--C 1.544 0.743 0 O-C-N 120.725 -1.234 . . . . 0.0 112.313 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.81 -24.52 31.16 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 123.531 2.821 . . . . 0.0 115.197 -168.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 18.1 t -39.53 -52.28 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.996 1.318 . . . . 0.0 112.036 165.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -57.29 -39.95 76.81 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -40.11 78.98 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.959 178.034 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -61.2 -42.08 97.95 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.551 0.614 . . . . 0.0 110.044 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.42 ' HG ' ' H ' ' A' ' 100' ' ' LEU . 1.8 mt -59.06 -55.96 28.4 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.333 1.053 . . . . 0.0 109.245 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -34.02 72.02 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 122.803 0.441 . . . . 0.0 112.07 176.23 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.8 m -68.79 -39.18 80.28 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.937 -1.102 . . . . 0.0 113.471 176.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -59.4 -44.2 92.87 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.322 -0.861 . . . . 0.0 110.407 167.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 73.2 m -63.11 -32.36 73.73 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 174.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.7 mt -69.99 -48.62 57.45 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.646 1.178 . . . . 0.0 111.728 170.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.0 mt -53.18 -41.71 65.51 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.357 -0.839 . . . . 0.0 110.308 174.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 27.1 t -58.22 -48.58 84.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.033 0.933 . . . . 0.0 113.168 171.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.2 p -67.72 -35.28 78.48 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 120.266 1.394 . . . . 0.0 112.454 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.05 -48.37 82.0 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.59 0.632 . . . . 0.0 110.119 171.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.2 68.9 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.25 -6.63 10.11 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 176.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -139.04 -44.9 0.47 Allowed 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.792 1.178 . . . . 0.0 114.079 -175.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.8 mp -78.0 141.8 63.69 Favored Pre-proline 0 CA--C 1.559 1.297 0 CA-C-O 116.482 -1.723 . . . . 0.0 108.004 169.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -54.14 -122.5 0.0 OUTLIER 'Trans proline' 0 CA--C 1.555 1.547 1 C-N-CA 126.677 4.918 . . . . 0.0 117.446 -177.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.34 54.31 0.05 Allowed 'General case' 0 CA--C 1.543 0.696 0 O-C-N 118.98 -2.325 . . . . 0.0 110.465 159.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.31 -19.7 9.35 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.511 -1.368 . . . . 0.0 112.768 -178.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.76 37.81 1.27 Allowed 'General case' 0 N--CA 1.434 -1.234 0 C-N-CA 126.308 1.843 . . . . 0.0 113.231 176.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 p -53.67 160.03 2.23 Favored Pre-proline 0 N--CA 1.475 0.797 0 O-C-N 120.948 -1.095 . . . . 0.0 110.19 169.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -47.25 -44.94 23.26 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.097 1.865 . . . . 0.0 115.106 169.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.16 -54.33 35.47 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.497 0.59 . . . . 0.0 110.931 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.0 t -76.89 -34.09 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.401 -0.812 . . . . 0.0 112.935 -168.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -73.43 -48.75 31.26 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.971 1.308 . . . . 0.0 112.349 175.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.15 -47.94 79.93 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 118.791 0.723 . . . . 0.0 109.687 173.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.0 t -53.92 -61.81 2.06 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 123.959 0.904 . . . . 0.0 112.51 174.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 59.2 mt -60.66 -42.83 97.82 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.964 1.256 . . . . 0.0 112.049 -175.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.86 -43.21 93.71 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 120.123 1.329 . . . . 0.0 112.175 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -30.12 61.9 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.301 0.955 . . . . 0.0 113.172 177.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -61.46 -58.93 6.19 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 124.718 1.207 . . . . 0.0 109.923 169.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.25 -42.79 70.32 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.506 0.722 . . . . 0.0 110.756 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.57 -42.69 75.07 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.051 1.296 . . . . 0.0 112.664 173.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.7 m -70.4 -32.22 69.77 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 171.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 83.3 t -55.2 -50.3 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 120.237 1.38 . . . . 0.0 108.831 167.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.5 t -58.37 -49.02 78.73 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.103 0.961 . . . . 0.0 113.278 174.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 96.7 m -51.37 -46.01 62.63 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.067 0.849 . . . . 0.0 110.695 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 79.9 t -68.16 -41.67 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 O-C-N 121.47 -0.769 . . . . 0.0 112.194 174.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -6.21 3.32 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 120.395 -1.441 . . . . 0.0 113.15 171.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 61.8 m -116.42 -20.78 9.55 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.995 2.118 . . . . 0.0 112.047 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.474 0.74 0 C-N-CA 125.182 1.393 . . . . 0.0 112.006 -172.908 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.289 2.5 p . . . . . 0 N--CA 1.515 2.816 0 CA-C-O 117.498 -1.239 . . . . 0.0 113.209 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 9.19 75.08 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 129.191 2.996 . . . . 0.0 116.263 -172.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.85 154.32 34.01 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.846 -0.534 . . . . 0.0 112.013 -170.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.44 145.74 96.93 Favored Pre-proline 0 N--CA 1.482 1.169 0 CA-C-O 118.133 -0.937 . . . . 0.0 109.76 168.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -52.22 -39.55 71.5 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 123.466 2.777 . . . . 0.0 115.943 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.73 -41.27 79.22 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.026 0.83 . . . . 0.0 111.828 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -67.61 -42.99 81.52 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 118.807 -0.616 . . . . 0.0 111.001 176.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -53.95 -53.85 47.07 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.271 1.029 . . . . 0.0 110.82 168.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.5 t -53.58 -46.11 70.22 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.412 0.551 . . . . 0.0 111.442 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.02 -53.28 60.22 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 175.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -63.71 -49.05 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 119.914 1.234 . . . . 0.0 111.839 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -71.47 -34.68 70.42 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.787 1.176 . . . . 0.0 112.377 -173.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.29 -39.42 85.98 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 120.097 1.317 . . . . 0.0 112.193 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tt -73.04 -26.87 61.45 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.525 -0.734 . . . . 0.0 111.297 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -63.62 -43.18 97.62 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.1 -1.0 . . . . 0.0 111.894 162.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.56 -31.78 45.02 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.726 1.631 . . . . 0.0 115.261 -178.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -96.35 -9.36 30.25 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 174.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.1 142.25 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 124.235 1.014 . . . . 0.0 112.046 -171.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -90.99 76.14 6.25 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.34 1.056 . . . . 0.0 109.852 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 85.3 t -47.83 -40.07 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 -163.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -68.41 -49.2 61.75 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.65 1.114 . . . . 0.0 112.712 173.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.02 -51.25 14.05 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.511 0.724 . . . . 0.0 111.023 -173.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.56 -31.33 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.663 1.185 . . . . 0.0 111.564 176.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.02 -42.87 35.61 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 118.965 0.802 . . . . 0.0 111.668 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.38 -44.48 96.77 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 117.808 0.804 . . . . 0.0 112.774 172.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.4 -48.87 79.9 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 123.494 0.717 . . . . 0.0 111.244 170.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.73 -56.18 25.48 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.755 1.616 . . . . 0.0 112.418 177.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 56.8 tp -67.06 -40.35 87.07 Favored 'General case' 0 C--O 1.225 -0.219 0 O-C-N 121.401 -0.812 . . . . 0.0 111.662 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.28 -50.18 70.59 Favored Glycine 0 C--N 1.333 0.394 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 173.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -52.68 -35.95 56.18 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.991 1.316 . . . . 0.0 113.805 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 18.1 tp -52.58 -41.93 64.06 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.058 1.299 . . . . 0.0 109.816 174.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -88.53 -28.87 20.49 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 117.993 -1.004 . . . . 0.0 111.67 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 4.7 m -56.84 -25.82 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 CA-C-N 121.152 1.796 . . . . 0.0 113.659 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -2.54 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-N 119.416 1.007 . . . . 0.0 113.266 175.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 t80 54.71 35.75 0.3 Allowed Pre-proline 0 CA--C 1.561 1.378 0 C-N-CA 126.221 1.808 . . . . 0.0 115.038 -169.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -78.79 172.85 14.43 Favored 'Trans proline' 0 C--N 1.36 1.132 0 C-N-CA 122.975 2.45 . . . . 0.0 112.008 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 8.3 p90 -56.6 -29.94 62.67 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 172.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.99 -23.92 62.28 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.947 -1.095 . . . . 0.0 113.461 171.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -57.96 -26.83 62.82 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.047 -1.033 . . . . 0.0 112.826 171.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -64.41 -13.57 51.84 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.64 15.16 18.84 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 119.288 0.949 . . . . 0.0 113.432 172.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -53.64 -27.8 29.29 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -176.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -47.92 -37.43 14.29 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.851 1.26 . . . . 0.0 113.757 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 19.3 m -65.52 -21.64 66.63 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 178.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -109.96 -8.76 14.81 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.855 1.662 . . . . 0.0 112.174 175.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.0 -160.75 6.9 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 124.494 1.045 . . . . 0.0 113.79 -171.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 39.02 -122.73 0.32 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.43 1.892 . . . . 0.0 112.737 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 8.7 tt 58.63 -10.38 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.994 2.117 . . . . 0.0 116.6 -177.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 11.9 m -51.32 -19.49 1.31 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.021 1.728 . . . . 0.0 115.597 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 61.3 p -134.24 158.99 74.02 Favored Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 125.564 1.546 . . . . 0.0 111.257 166.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -56.03 -42.53 65.7 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 123.601 2.867 . . . . 0.0 114.712 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.15 -36.6 84.57 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.123 0.569 . . . . 0.0 111.65 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.38 93.78 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.86 -31.99 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 CA-C-N 120.991 1.723 . . . . 0.0 113.431 -175.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 16.3 ptp -92.49 -18.19 23.52 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.18 -31.42 17.05 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 123.792 0.71 . . . . 0.0 114.581 171.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -59.3 125.3 78.54 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 125.268 1.427 . . . . 0.0 113.356 -173.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -64.49 -30.4 61.74 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.786 2.324 . . . . 0.0 113.825 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -69.04 -36.32 77.59 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.479 1.036 . . . . 0.0 112.799 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 76.8 t -65.06 -40.27 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.765 1.226 . . . . 0.0 110.988 166.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -62.46 -45.7 91.84 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 120.151 1.341 . . . . 0.0 111.954 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.07 -50.01 72.27 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.906 1.283 . . . . 0.0 113.412 176.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -62.02 -37.05 83.43 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.991 -1.068 . . . . 0.0 112.06 172.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.63 -48.74 64.21 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 124.733 1.159 . . . . 0.0 112.412 169.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -54.79 -43.55 72.96 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.842 1.657 . . . . 0.0 111.742 172.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -66.32 -55.57 15.34 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.39 1.076 . . . . 0.0 113.397 174.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 4.3 m -60.09 -39.99 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 120.855 1.661 . . . . 0.0 112.108 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.7 tt -69.67 -40.27 76.53 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.631 -0.668 . . . . 0.0 111.013 175.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.38 -36.6 84.63 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.996 1.284 . . . . 0.0 113.796 173.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.81 -49.71 67.29 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.366 1.083 . . . . 0.0 111.908 168.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -54.65 -40.65 69.23 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 174.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 84.4 p -71.17 -34.32 70.85 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 120.81 -1.182 . . . . 0.0 113.473 173.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.36 -28.4 65.08 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.129 0.877 . . . . 0.0 112.034 166.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.81 -63.9 4.85 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 124.169 0.89 . . . . 0.0 111.858 164.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.54 -34.42 36.37 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 118.53 1.165 . . . . 0.0 113.566 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.94 -18.48 58.24 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.22 39.33 1.0 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.274 1.43 . . . . 0.0 112.991 -170.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 70.2 mt -57.14 -21.53 33.32 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.663 -1.273 . . . . 0.0 114.171 -178.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -65.7 -11.49 45.66 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.236 2.214 . . . . 0.0 115.561 174.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -113.94 -60.34 1.9 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.877 1.217 . . . . 0.0 113.804 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 53.23 9.26 0.14 Allowed 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 118.627 2.825 . . . . 0.0 118.627 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -133.34 -61.44 0.82 Allowed 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 120.205 1.366 . . . . 0.0 111.815 171.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.23 -39.92 82.98 Favored Glycine 0 N--CA 1.478 1.493 0 CA-C-N 118.926 0.785 . . . . 0.0 114.64 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.4 t -66.58 -14.95 63.04 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 175.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -122.85 -1.1 8.94 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.811 1.644 . . . . 0.0 114.693 -176.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.91 -33.15 71.48 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 120.906 1.684 . . . . 0.0 114.506 -171.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 19.4 p -64.72 -40.96 96.22 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.189 -0.945 . . . . 0.0 112.009 170.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 18.9 mt -73.45 -39.46 64.94 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-O 118.317 -0.849 . . . . 0.0 112.127 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 83.7 p -64.59 -38.38 90.81 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 120.221 1.373 . . . . 0.0 111.569 175.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -65.32 -44.85 86.52 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.054 0.542 . . . . 0.0 112.167 172.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 51.6 tp -55.49 -56.46 19.98 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.261 -0.899 . . . . 0.0 110.913 171.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -77.0 30.09 0.13 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.124 1.77 . . . . 0.0 113.653 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' CYS . . . . . 0.536 ' SG ' HG21 ' C' ' 41' ' ' THR . 3.8 t -149.85 -80.64 0.12 Allowed 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.848 0.859 . . . . 0.0 108.848 169.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.92 -17.17 49.49 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.762 2.025 . . . . 0.0 115.732 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -112.93 -35.74 5.34 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.267 1.427 . . . . 0.0 112.137 171.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 13.3 mt -133.5 84.95 2.17 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.081 2.152 . . . . 0.0 108.136 -174.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -33.08 61.01 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -173.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 59.8 t 19.52 96.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 129.083 2.953 . . . . 0.0 114.968 160.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -55.12 132.64 68.6 Favored Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -176.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -53.18 -19.81 13.03 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 124.506 3.471 . . . . 0.0 118.094 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -52.65 -33.41 46.85 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 120.73 -1.231 . . . . 0.0 112.017 166.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.92 -38.52 88.74 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.977 -1.077 . . . . 0.0 112.095 172.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -68.43 -42.72 78.48 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.903 0.881 . . . . 0.0 110.595 176.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -57.64 -49.89 74.95 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.726 0.81 . . . . 0.0 110.66 172.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 84.5 mt -57.82 -50.81 72.03 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 118.354 -0.832 . . . . 0.0 112.279 175.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 tt -55.67 -36.05 66.67 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 120.173 1.351 . . . . 0.0 110.909 173.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' GLY . . . . . 0.474 ' CA ' HG11 ' B' ' 134' ' ' VAL . . . -67.33 -54.02 22.36 Favored Glycine 0 CA--C 1.519 0.302 0 O-C-N 120.921 -1.112 . . . . 0.0 114.975 176.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -55.67 -35.2 65.72 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.395 1.097 . . . . 0.0 110.14 171.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 t -65.49 -41.15 90.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-O 117.585 -1.197 . . . . 0.0 113.127 173.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 66.2 tp -58.97 -53.46 58.17 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 121.543 1.974 . . . . 0.0 111.129 176.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.471 HG12 ' HB3' ' B' ' 130' ' ' TYR . 1.3 m -55.44 -37.77 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -171.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 48.7 t -77.02 -27.72 54.68 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -172.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 p -68.68 -38.87 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 O-C-N 119.991 -1.693 . . . . 0.0 110.819 170.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.21 -37.11 81.82 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.713 0.688 . . . . 0.0 110.653 171.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' ALA . . . . . 0.42 ' HB2' ' CE2' ' B' ' 122' ' ' PHE . . . -59.8 -27.14 66.33 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 170.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -75.23 -61.67 1.82 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 120.571 1.532 . . . . 0.0 111.744 167.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -63.64 -24.06 67.64 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -169.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -132.36 24.01 4.45 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.322 1.449 . . . . 0.0 111.999 -174.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -46.02 -41.01 10.39 Favored Glycine 0 N--CA 1.475 1.293 0 C-N-CA 125.688 1.613 . . . . 0.0 116.09 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -63.55 -22.06 66.68 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -105.37 -2.51 23.78 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.383 1.873 . . . . 0.0 112.61 174.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' PHE . . . . . 0.42 ' CE2' ' HB2' ' B' ' 115' ' ' ALA . 6.1 t80 -86.45 58.27 4.96 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.776 -1.202 . . . . 0.0 113.114 -169.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 32.1 p -53.45 157.9 3.22 Favored Pre-proline 0 N--CA 1.481 1.097 0 C-N-CA 126.228 1.811 . . . . 0.0 113.773 -174.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -47.54 -49.9 12.45 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.508 2.139 . . . . 0.0 115.218 170.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.39 -27.0 40.57 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 121.336 1.357 . . . . 0.0 114.418 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.8 -40.01 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 122.091 2.223 . . . . 0.0 111.903 176.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -60.35 -42.15 95.15 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.894 0.77 . . . . 0.0 111.198 176.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.8 -32.07 73.11 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.98 -51.96 53.7 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.472 -0.767 . . . . 0.0 110.398 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.471 ' HB3' HG12 ' B' ' 111' ' ' VAL . 47.6 m-85 -52.03 -48.75 64.4 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.41 0.55 . . . . 0.0 111.276 169.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 15.1 tm0? -54.4 -46.47 73.14 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 118.166 -0.921 . . . . 0.0 112.736 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -63.36 -41.78 98.84 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.792 1.633 . . . . 0.0 113.232 -176.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 1.6 p -73.8 -38.75 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 119.154 0.888 . . . . 0.0 112.215 174.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.474 HG11 ' CA ' ' B' ' 107' ' ' GLY . 88.8 t -72.19 -34.84 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 118.805 0.729 . . . . 0.0 112.453 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.08 93.16 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 120.956 -1.09 . . . . 0.0 111.476 167.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -53.07 -52.98 36.38 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-O 119.69 -0.505 . . . . 0.0 112.349 166.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.0 -42.84 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 118.391 1.096 . . . . 0.0 112.388 175.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.92 -47.69 83.8 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.439 -0.788 . . . . 0.0 111.664 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.3 -31.97 73.38 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.75 -0.594 . . . . 0.0 112.073 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.18 -48.67 64.64 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.733 0.813 . . . . 0.0 111.382 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.12 -34.49 75.05 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.433 -0.792 . . . . 0.0 111.569 173.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.23 -4.29 24.9 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 172.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -57.67 -43.08 84.75 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 121.249 1.84 . . . . 0.0 113.363 -176.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -73.97 2.06 9.51 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.806 1.242 . . . . 0.0 113.664 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.553 1.063 0 C-N-CA 128.018 2.527 . . . . 0.0 111.891 -176.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.25 5.3 p . . . . . 0 N--CA 1.51 2.55 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 21.1 mt -136.28 -179.21 5.54 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.865 1.666 . . . . 0.0 111.256 -173.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -112.42 165.98 11.91 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 126.104 1.762 . . . . 0.0 110.475 -172.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -78.62 -42.48 0.21 Allowed 'Trans proline' 0 CA--C 1.538 0.71 0 CA-C-N 121.537 1.585 . . . . 0.0 113.107 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.31 -33.44 75.29 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.624 -0.673 . . . . 0.0 112.758 -177.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.05 -43.27 81.83 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 118.204 0.456 . . . . 0.0 110.985 177.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -55.86 -48.78 74.93 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.523 1.129 . . . . 0.0 111.013 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 98.1 m -56.83 -44.83 82.47 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.685 0.794 . . . . 0.0 111.5 177.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -67.99 -39.43 83.25 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.589 -0.694 . . . . 0.0 112.327 177.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 87.8 t -61.97 -51.72 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.713 0.805 . . . . 0.0 110.639 174.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -60.29 -42.96 96.58 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.734 0.697 . . . . 0.0 111.173 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.78 -50.28 73.78 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.206 0.603 . . . . 0.0 111.647 175.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.23 -54.2 44.33 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.541 0.61 . . . . 0.0 112.049 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -63.08 -26.31 68.77 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.207 -0.933 . . . . 0.0 113.294 -175.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.76 -38.69 94.28 Favored Glycine 0 CA--C 1.538 1.511 0 O-C-N 121.022 -1.049 . . . . 0.0 113.778 168.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -73.59 -33.18 64.5 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 118.025 0.913 . . . . 0.0 111.629 173.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.424 HG13 ' CD2' ' C' ' 24' ' ' TYR . 97.6 t -68.9 -24.74 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.539 1.536 . . . . 0.0 113.048 176.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.84 125.59 1.79 Allowed Glycine 0 CA--C 1.542 1.735 0 C-N-CA 125.142 1.353 . . . . 0.0 114.109 175.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 76.91 -38.38 0.3 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 129.004 2.921 . . . . 0.0 114.776 -174.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -74.88 -17.67 60.55 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.213 1.005 . . . . 0.0 113.123 172.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.415 ' HB2' HG12 ' C' ' 17' ' ' VAL . . . -44.77 -49.71 10.5 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.155 2.182 . . . . 0.0 114.724 -172.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.7 -37.22 94.39 Favored Glycine 0 N--CA 1.47 0.923 0 O-C-N 121.856 -0.528 . . . . 0.0 113.541 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -42.16 83.59 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.773 0.829 . . . . 0.0 111.025 175.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 24' ' ' TYR . . . . . 0.424 ' CD2' HG13 ' C' ' 17' ' ' VAL . 14.7 m-30 -63.73 -39.4 94.21 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.309 0.958 . . . . 0.0 112.358 174.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.45 -59.28 11.13 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 123.706 0.67 . . . . 0.0 111.616 170.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.73 -52.21 42.56 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.453 1.501 . . . . 0.0 112.7 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.08 -38.31 79.16 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 124.865 1.266 . . . . 0.0 112.444 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.51 -36.07 81.81 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 119.14 0.882 . . . . 0.0 112.228 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.78 -47.75 82.13 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.423 0.556 . . . . 0.0 110.335 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.85 -46.8 88.13 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.332 0.653 . . . . 0.0 111.152 -177.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -54.57 -50.94 66.77 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 124.896 1.278 . . . . 0.0 111.413 169.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 49.7 ttp -57.01 -44.52 82.9 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.397 0.999 . . . . 0.0 112.146 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -61.74 -23.33 66.09 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 47.9 mt -97.94 -40.85 8.27 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.81 0.844 . . . . 0.0 110.642 -178.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 54.2 m -77.4 -18.72 57.04 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.919 2.088 . . . . 0.0 113.589 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -140.44 80.45 19.05 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 125.977 1.711 . . . . 0.0 108.806 174.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -45.79 -26.65 3.33 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 124.423 3.415 . . . . 0.0 114.323 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' THR . . . . . 0.611 ' O ' HG22 ' C' ' 41' ' ' THR . 41.4 m -41.08 -29.35 0.11 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.163 2.185 . . . . 0.0 116.001 164.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 70.3 p -81.12 -25.52 36.88 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 122.938 2.608 . . . . 0.0 113.962 175.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -56.75 -34.86 67.98 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 119.948 1.249 . . . . 0.0 111.72 168.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' THR . . . . . 0.611 HG22 ' O ' ' C' ' 38' ' ' THR . 0.6 OUTLIER -62.96 -19.76 64.59 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 175.889 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.19 0.74 3.41 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.034 -1.041 . . . . 0.0 113.728 171.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 2.7 t80 59.96 60.22 4.22 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 125.513 1.525 . . . . 0.0 112.402 171.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -59.24 136.87 75.32 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 124.023 3.149 . . . . 0.0 113.198 -167.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -78.12 14.04 1.28 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.782 1.233 . . . . 0.0 113.741 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -139.54 151.78 46.39 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.855 1.662 . . . . 0.0 111.45 -173.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -83.01 146.85 28.52 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.35 0.66 . . . . 0.0 111.39 169.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.71 28.42 1.16 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.142 0.977 . . . . 0.0 113.532 -172.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 19.1 p -62.76 -56.73 14.93 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.263 1.025 . . . . 0.0 112.67 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -163.87 141.06 7.02 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.404 1.882 . . . . 0.0 110.85 172.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.76 25.69 59.24 Favored Glycine 0 CA--C 1.54 1.641 0 N-CA-C 116.445 1.338 . . . . 0.0 116.445 168.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -55.93 133.53 51.56 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.128 1.371 . . . . 0.0 114.338 -170.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.52 -27.2 65.96 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.266 1.426 . . . . 0.0 113.473 172.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -84.58 -40.75 17.16 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.386 0.674 . . . . 0.0 111.467 176.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.81 -41.18 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 121.5 -0.75 . . . . 0.0 112.113 178.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -61.39 -40.28 93.78 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 119.836 1.198 . . . . 0.0 113.041 174.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.45 -52.36 31.27 Favored Glycine 0 N--CA 1.472 1.077 0 C-N-CA 124.237 0.922 . . . . 0.0 112.284 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -40.81 74.4 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.952 0.901 . . . . 0.0 112.046 173.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.61 -49.47 69.66 Favored Glycine 0 C--N 1.339 0.71 0 C-N-CA 124.093 0.854 . . . . 0.0 113.337 172.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -55.38 -41.66 72.95 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.543 1.172 . . . . 0.0 112.333 171.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -61.62 -50.75 71.3 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 119.339 0.972 . . . . 0.0 112.115 175.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 95.7 t -57.66 -42.47 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 119.296 0.953 . . . . 0.0 110.889 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 63' ' ' ALA . . . . . 0.401 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -62.87 -47.04 85.07 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 176.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -61.12 -38.47 86.46 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.495 1.043 . . . . 0.0 111.957 175.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.01 99.9 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.798 -0.564 . . . . 0.0 112.35 172.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.44 -45.15 92.39 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.718 -0.658 . . . . 0.0 111.306 170.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 92.0 m -56.2 -45.5 79.81 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.688 1.131 . . . . 0.0 111.742 172.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -27.92 67.55 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 120.308 1.413 . . . . 0.0 112.896 176.144 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.86 -45.81 70.1 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.251 0.932 . . . . 0.0 111.475 169.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.65 -46.83 92.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 CA-C-N 119.775 1.17 . . . . 0.0 111.504 174.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.95 -26.09 67.99 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.82 1.248 . . . . 0.0 113.908 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -130.68 32.64 4.35 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.81 1.244 . . . . 0.0 111.031 -175.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 10.5 p -60.58 -21.08 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 -164.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.33 6.45 26.48 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 119.729 1.15 . . . . 0.0 113.386 170.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -141.2 29.18 1.83 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 128.021 2.528 . . . . 0.0 110.906 -164.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 18.4 ptt? -112.64 40.14 0.21 Allowed Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 125.181 1.392 . . . . 0.0 114.559 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -64.83 -28.97 58.98 Favored 'Trans proline' 0 C--N 1.355 0.888 0 CA-C-N 122.908 2.074 . . . . 0.0 113.287 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -130.2 -0.43 4.6 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.659 1.184 . . . . 0.0 114.06 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.77 -16.15 63.71 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 120.194 -1.566 . . . . 0.0 114.431 -174.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 32.2 mt -104.15 13.69 31.89 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.933 1.293 . . . . 0.0 111.919 169.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 24.1 t -57.92 -42.07 84.04 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.837 1.199 . . . . 0.0 112.328 -172.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.17 -27.14 43.6 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 172.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 mt -87.73 -38.51 15.73 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.33 1.052 . . . . 0.0 110.689 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 22.4 p -64.63 -33.69 76.53 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 168.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -62.08 -48.21 81.24 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.845 1.258 . . . . 0.0 110.664 170.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 14.7 tp -53.14 -44.39 67.7 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 121.371 -0.83 . . . . 0.0 112.147 169.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -76.98 18.19 0.38 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 125.842 1.657 . . . . 0.0 114.165 175.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.7 -46.3 0.16 Allowed 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -58.94 -35.28 72.87 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.611 1.164 . . . . 0.0 111.589 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -144.78 -172.31 3.8 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 128.621 2.768 . . . . 0.0 109.084 176.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 82.3 mt 27.59 73.08 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.994 2.118 . . . . 0.0 114.223 167.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -38.46 -54.81 1.46 Allowed 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.199 1.4 . . . . 0.0 112.585 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 98.5 t 48.14 71.79 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 122.784 1.278 . . . . 0.0 111.143 176.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -58.82 147.22 73.07 Favored Pre-proline 0 CA--C 1.546 0.803 0 O-C-N 120.74 -1.225 . . . . 0.0 112.237 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.79 -24.3 30.19 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 123.575 2.85 . . . . 0.0 115.125 -168.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 18.5 t -40.0 -52.03 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.941 1.296 . . . . 0.0 111.961 165.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -57.2 -40.18 76.9 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -40.09 78.49 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 119.212 -0.423 . . . . 0.0 111.056 178.067 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -61.15 -42.08 97.91 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.483 0.583 . . . . 0.0 109.995 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.27 -55.49 34.22 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.164 0.985 . . . . 0.0 109.347 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -34.0 72.4 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.772 0.429 . . . . 0.0 112.085 176.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 73.9 m -68.9 -39.02 79.95 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.587 1.085 . . . . 0.0 113.358 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -59.56 -44.46 93.26 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.204 -0.935 . . . . 0.0 110.346 167.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 68.4 m -62.56 -33.49 75.04 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 174.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 41.8 mt -68.65 -48.4 64.12 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.655 1.116 . . . . 0.0 111.735 171.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 41.7 mt -53.77 -41.25 66.97 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.465 -0.772 . . . . 0.0 110.191 174.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 24.6 t -58.8 -48.58 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.971 0.909 . . . . 0.0 112.917 172.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 2.3 p -67.48 -34.85 78.01 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 120.144 1.338 . . . . 0.0 112.647 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.6 -48.3 82.37 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.555 0.616 . . . . 0.0 110.188 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.79 -33.09 68.18 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.64 -6.48 11.36 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -139.19 -44.84 0.46 Allowed 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -174.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 6.8 mp -78.14 141.99 63.27 Favored Pre-proline 0 CA--C 1.559 1.309 0 CA-C-O 116.697 -1.62 . . . . 0.0 107.874 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -54.22 -122.25 0.0 OUTLIER 'Trans proline' 0 CA--C 1.555 1.53 1 C-N-CA 126.59 4.86 . . . . 0.0 117.342 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.63 54.19 0.06 Allowed 'General case' 0 CA--C 1.544 0.748 0 O-C-N 118.944 -2.348 . . . . 0.0 110.433 160.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.67 -19.26 10.09 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.948 1.299 . . . . 0.0 112.739 -177.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.97 37.3 1.32 Allowed 'General case' 0 N--CA 1.432 -1.362 0 C-N-CA 126.537 1.935 . . . . 0.0 113.29 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 1.1 p -53.21 159.89 1.9 Allowed Pre-proline 0 N--CA 1.477 0.906 0 O-C-N 121.08 -1.013 . . . . 0.0 110.21 169.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -47.3 -44.82 23.66 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.21 1.94 . . . . 0.0 115.13 169.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.34 -54.13 37.81 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.407 0.549 . . . . 0.0 110.889 174.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 14.0 t -77.0 -33.98 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 O-C-N 121.494 -0.754 . . . . 0.0 112.939 -168.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -73.53 -48.88 29.67 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.999 1.319 . . . . 0.0 112.336 175.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.04 -48.7 77.89 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 118.744 0.702 . . . . 0.0 109.798 173.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 15.6 t -52.69 -61.96 1.95 Allowed 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.013 0.925 . . . . 0.0 112.738 173.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 58.6 mt -60.69 -42.95 98.19 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.976 1.262 . . . . 0.0 112.039 -175.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.84 -43.17 93.92 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.832 1.196 . . . . 0.0 112.267 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.31 -30.11 61.92 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.237 -0.914 . . . . 0.0 113.122 177.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -61.6 -58.75 6.86 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 124.643 1.177 . . . . 0.0 110.067 169.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.26 -43.07 70.63 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.482 0.713 . . . . 0.0 110.619 175.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.25 -42.5 73.58 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 120.084 1.311 . . . . 0.0 112.738 173.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 11.2 m -71.03 -31.63 68.16 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 171.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 87.1 t -55.49 -50.03 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 CA-C-N 120.087 1.312 . . . . 0.0 108.835 167.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 33.5 t -58.77 -48.72 80.24 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 123.975 0.91 . . . . 0.0 113.39 174.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 96.1 m -51.42 -46.0 62.79 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.018 0.827 . . . . 0.0 110.7 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 81.1 t -68.11 -41.64 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 O-C-N 121.425 -0.797 . . . . 0.0 112.255 174.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -5.87 3.23 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.448 -1.408 . . . . 0.0 113.049 171.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 61.8 m -116.68 -21.0 9.3 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.093 2.157 . . . . 0.0 111.939 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 52.0 m . . . . . 0 N--CA 1.475 0.793 0 C-N-CA 125.183 1.393 . . . . 0.0 111.963 -172.928 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.296 2.5 p . . . . . 0 N--CA 1.517 2.884 0 CA-C-O 117.535 -1.221 . . . . 0.0 113.234 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 9.2 75.13 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 129.212 3.005 . . . . 0.0 116.257 -172.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.06 154.4 34.51 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.769 -0.582 . . . . 0.0 111.877 -170.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.6 145.76 97.14 Favored Pre-proline 0 N--CA 1.482 1.136 0 CA-C-O 118.086 -0.959 . . . . 0.0 109.653 168.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -52.04 -39.65 69.52 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 123.435 2.757 . . . . 0.0 116.005 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.7 -41.4 79.2 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.006 0.821 . . . . 0.0 111.862 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -67.41 -42.85 82.59 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.122 0.569 . . . . 0.0 111.1 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -54.33 -53.38 54.66 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.293 1.037 . . . . 0.0 110.823 168.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 30.1 t -54.14 -45.82 72.07 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.369 0.531 . . . . 0.0 111.276 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.1 -53.47 58.02 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 175.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.62 -49.0 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 CA-C-N 119.906 1.23 . . . . 0.0 111.862 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -71.47 -34.76 70.48 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.792 1.178 . . . . 0.0 112.341 -173.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.48 -38.98 85.21 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 120.014 1.279 . . . . 0.0 112.202 172.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.37 -26.79 61.15 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.573 -0.704 . . . . 0.0 111.276 176.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 9.6 t90 -63.42 -43.6 97.03 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.088 -1.008 . . . . 0.0 111.958 162.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.23 -31.92 42.73 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.699 1.618 . . . . 0.0 115.343 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -96.4 -9.52 29.72 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.482 1.113 . . . . 0.0 113.981 174.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.01 142.3 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.178 0.991 . . . . 0.0 112.012 -171.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -91.02 76.33 6.21 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.344 1.058 . . . . 0.0 109.8 -175.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 85.8 t -47.82 -40.02 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -163.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.6 -49.09 61.97 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.686 1.13 . . . . 0.0 112.639 173.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -74.99 -51.33 13.91 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.507 0.723 . . . . 0.0 111.098 -173.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -31.17 52.58 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 C-N-CA 124.629 1.172 . . . . 0.0 111.62 176.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.08 -42.92 34.98 Favored Glycine 0 C--N 1.341 0.835 0 CA-C-N 118.849 0.75 . . . . 0.0 111.632 176.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.43 -44.49 96.68 Favored Glycine 0 N--CA 1.464 0.551 0 CA-C-N 117.892 0.846 . . . . 0.0 112.738 172.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.5 -48.96 79.5 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 117.656 0.728 . . . . 0.0 111.231 170.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.71 -55.81 30.35 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.834 1.652 . . . . 0.0 112.549 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 57.1 tp -67.22 -39.86 86.31 Favored 'General case' 0 C--O 1.224 -0.258 0 O-C-N 121.349 -0.844 . . . . 0.0 111.685 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.75 -50.32 68.97 Favored Glycine 0 C--N 1.334 0.44 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 173.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -52.42 -36.66 54.84 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.057 1.343 . . . . 0.0 113.814 175.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 18.1 tp -52.0 -42.05 62.68 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.067 1.303 . . . . 0.0 109.854 174.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -88.51 -28.94 20.47 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.762 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 4.7 m -56.74 -25.71 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-N 121.288 1.858 . . . . 0.0 113.814 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -2.35 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 119.274 0.943 . . . . 0.0 113.239 175.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 t80 54.63 35.68 0.3 Allowed Pre-proline 0 CA--C 1.562 1.421 0 C-N-CA 126.294 1.837 . . . . 0.0 115.051 -170.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -78.69 172.89 14.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 122.895 2.396 . . . . 0.0 111.99 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 8.4 p90 -56.47 -30.14 62.57 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 172.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.91 -23.78 61.57 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 120.916 -1.115 . . . . 0.0 113.418 171.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -58.18 -26.64 63.02 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.452 1.023 . . . . 0.0 112.781 171.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -64.43 -13.71 52.85 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.817 -1.177 . . . . 0.0 114.152 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.59 15.2 18.64 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 119.345 0.975 . . . . 0.0 113.404 172.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -53.47 -28.05 28.43 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -47.83 -37.46 13.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.721 1.208 . . . . 0.0 113.786 177.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 19.4 m -65.37 -21.82 66.73 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -109.82 -8.88 14.84 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.866 1.666 . . . . 0.0 112.14 175.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.17 -160.84 7.1 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.468 1.032 . . . . 0.0 113.721 -171.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 39.08 -122.71 0.32 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.393 1.877 . . . . 0.0 112.809 -176.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 8.8 tt 58.76 -10.57 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.917 2.087 . . . . 0.0 116.585 -177.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 11.7 m -51.23 -19.52 1.25 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 61.6 p -134.2 158.94 74.15 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 125.6 1.56 . . . . 0.0 111.237 166.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -56.01 -42.52 65.86 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 123.677 2.918 . . . . 0.0 114.729 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.06 -36.79 85.17 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.074 0.549 . . . . 0.0 111.652 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.54 93.42 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -176.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.84 -32.11 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 120.861 1.664 . . . . 0.0 113.387 -175.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 16.3 ptp -92.33 -18.09 23.82 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.24 -31.46 16.78 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 123.919 0.771 . . . . 0.0 114.546 171.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -59.34 125.37 78.86 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 125.235 1.414 . . . . 0.0 113.243 -173.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -64.58 -30.31 60.96 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.755 2.303 . . . . 0.0 113.884 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -68.94 -36.55 78.09 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.449 1.022 . . . . 0.0 112.808 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 76.4 t -65.03 -40.17 88.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.736 1.215 . . . . 0.0 111.143 166.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -62.26 -45.81 91.63 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 120.198 1.363 . . . . 0.0 112.052 173.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.01 -50.17 71.76 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.888 1.275 . . . . 0.0 113.42 176.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -62.05 -36.92 83.07 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.908 -1.12 . . . . 0.0 112.031 172.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.65 -48.77 64.11 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.814 1.197 . . . . 0.0 112.396 169.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -54.87 -43.35 73.06 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.752 1.621 . . . . 0.0 111.756 172.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -66.47 -55.5 15.35 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.38 1.072 . . . . 0.0 113.457 174.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 4.3 m -60.18 -39.97 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 120.855 1.661 . . . . 0.0 112.03 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.7 tt -69.68 -40.0 76.65 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.453 -0.779 . . . . 0.0 111.109 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.88 -36.24 86.51 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.932 1.253 . . . . 0.0 113.821 173.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.81 -49.78 67.02 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.427 1.113 . . . . 0.0 111.828 168.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -54.71 -40.65 69.41 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 174.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 85.3 p -71.07 -34.68 71.42 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.761 -1.212 . . . . 0.0 113.423 173.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.89 -28.47 64.24 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.331 0.968 . . . . 0.0 112.151 166.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.85 -64.06 4.7 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 124.13 0.872 . . . . 0.0 111.844 164.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.34 -34.46 33.87 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 118.667 1.234 . . . . 0.0 113.581 177.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.04 -18.44 58.11 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.22 39.41 1.0 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.289 1.435 . . . . 0.0 112.986 -170.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 70.7 mt -57.24 -21.58 35.1 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.677 -1.264 . . . . 0.0 114.138 -178.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -65.6 -11.43 44.28 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.241 2.216 . . . . 0.0 115.667 174.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -113.99 -60.29 1.9 Allowed 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.793 1.179 . . . . 0.0 113.837 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 53.25 9.27 0.14 Allowed 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -133.37 -61.34 0.82 Allowed 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 120.221 1.373 . . . . 0.0 111.883 171.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.25 -40.09 83.62 Favored Glycine 0 N--CA 1.479 1.561 0 CA-C-N 119.019 0.827 . . . . 0.0 114.526 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.4 t -66.26 -15.17 62.98 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 175.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -122.85 -0.96 8.96 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.686 1.594 . . . . 0.0 114.687 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.02 -33.17 71.64 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 120.75 1.614 . . . . 0.0 114.468 -171.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 19.1 p -64.65 -41.21 96.28 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.194 -0.941 . . . . 0.0 111.88 170.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.4 -39.32 65.16 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-O 118.216 -0.897 . . . . 0.0 112.096 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -64.64 -38.38 90.8 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 120.304 1.411 . . . . 0.0 111.596 175.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -65.24 -45.03 86.29 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.777 -0.577 . . . . 0.0 112.062 172.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 51.7 tp -55.4 -56.32 21.5 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.237 -0.914 . . . . 0.0 111.009 171.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -77.26 30.13 0.14 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.108 1.763 . . . . 0.0 113.505 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 93' ' ' CYS . . . . . 0.543 ' SG ' HG21 ' A' ' 41' ' ' THR . 3.8 t -149.82 -80.78 0.12 Allowed 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 123.897 0.879 . . . . 0.0 108.877 169.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.71 -17.32 47.51 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.825 2.05 . . . . 0.0 115.73 -174.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -112.85 -35.67 5.39 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.206 1.403 . . . . 0.0 112.171 171.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 13.2 mt -133.5 85.08 2.18 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.049 2.14 . . . . 0.0 108.101 -174.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.73 -33.19 60.79 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -173.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 59.8 t 19.54 96.17 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 128.999 2.919 . . . . 0.0 115.078 160.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -54.97 132.65 67.62 Favored Pre-proline 0 CA--C 1.551 0.985 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -176.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.1 -19.81 12.66 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 124.475 3.45 . . . . 0.0 118.093 -178.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -52.7 -33.53 48.02 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.821 1.191 . . . . 0.0 112.046 166.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.78 -38.66 88.87 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.01 -1.056 . . . . 0.0 112.086 173.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -68.49 -42.68 78.27 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.793 0.837 . . . . 0.0 110.551 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -57.7 -49.67 75.75 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.779 172.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 84.5 mt -57.85 -51.02 71.34 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 118.36 -0.829 . . . . 0.0 112.142 175.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 tt -55.61 -36.04 66.52 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.193 1.36 . . . . 0.0 110.84 173.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 107' ' ' GLY . . . . . 0.474 ' CA ' HG11 ' D' ' 134' ' ' VAL . . . -67.2 -54.15 22.17 Favored Glycine 0 CA--C 1.519 0.294 0 O-C-N 120.998 -1.064 . . . . 0.0 114.984 176.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -55.59 -35.16 65.51 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.478 1.139 . . . . 0.0 110.279 171.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 30.5 t -65.51 -41.36 90.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-O 117.818 -1.087 . . . . 0.0 113.077 173.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.77 -53.34 59.52 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 121.303 1.865 . . . . 0.0 111.137 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 111' ' ' VAL . . . . . 0.463 HG12 ' HB3' ' D' ' 130' ' ' TYR . 1.3 m -55.5 -37.71 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-O 121.1 0.476 . . . . 0.0 112.252 -171.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 49.6 t -77.01 -27.59 54.71 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -172.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 p -68.82 -39.1 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 120.018 -1.677 . . . . 0.0 110.723 170.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.2 -36.79 80.85 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.58 0.627 . . . . 0.0 110.761 171.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 115' ' ' ALA . . . . . 0.413 ' HB2' ' CE2' ' D' ' 122' ' ' PHE . . . -59.99 -26.78 66.32 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 170.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -75.28 -61.69 1.81 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 120.594 1.543 . . . . 0.0 111.845 167.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -63.6 -24.1 67.66 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -169.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -132.29 23.99 4.47 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.403 1.481 . . . . 0.0 112.107 -174.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -46.16 -40.97 10.8 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 125.843 1.687 . . . . 0.0 116.037 -173.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -63.54 -21.93 66.61 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -105.62 -2.46 23.42 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.342 1.857 . . . . 0.0 112.72 174.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 122' ' ' PHE . . . . . 0.413 ' CE2' ' HB2' ' D' ' 115' ' ' ALA . 6.4 t80 -86.55 58.26 4.96 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 120.855 -1.153 . . . . 0.0 113.055 -169.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 32.6 p -53.25 158.05 2.87 Favored Pre-proline 0 N--CA 1.48 1.05 0 C-N-CA 126.127 1.771 . . . . 0.0 113.74 -174.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -47.72 -49.92 12.59 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.465 2.11 . . . . 0.0 115.22 170.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.11 -27.46 41.9 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.331 1.354 . . . . 0.0 114.33 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.43 -40.36 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 122.099 2.227 . . . . 0.0 111.777 176.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -60.3 -42.1 94.8 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.562 -0.711 . . . . 0.0 111.139 176.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.7 -31.98 72.98 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 173.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.27 -51.58 56.0 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.432 -0.793 . . . . 0.0 110.239 174.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 130' ' ' TYR . . . . . 0.463 ' HB3' HG12 ' D' ' 111' ' ' VAL . 47.6 m-85 -52.3 -48.59 65.27 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.446 0.566 . . . . 0.0 111.262 169.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 15.1 tm0? -54.67 -46.26 74.01 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 118.206 -0.902 . . . . 0.0 112.654 174.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -63.57 -41.72 98.36 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.733 1.606 . . . . 0.0 113.152 -176.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 1.6 p -73.76 -38.75 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 119.252 0.933 . . . . 0.0 112.239 174.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 134' ' ' VAL . . . . . 0.474 HG11 ' CA ' ' D' ' 107' ' ' GLY . 87.4 t -72.12 -34.83 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 118.781 0.719 . . . . 0.0 112.568 -178.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.48 -40.07 93.21 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.972 -1.08 . . . . 0.0 111.516 167.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -53.12 -52.9 37.1 Favored Glycine 0 N--CA 1.47 0.944 0 CA-C-O 119.628 -0.54 . . . . 0.0 112.385 166.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.05 -42.85 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 118.294 1.047 . . . . 0.0 112.402 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.98 -47.7 83.64 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.75 0.705 . . . . 0.0 111.722 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -31.95 73.35 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.722 -0.611 . . . . 0.0 112.17 175.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.07 -48.82 64.51 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.875 0.87 . . . . 0.0 111.387 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.08 -34.44 74.93 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.511 -0.743 . . . . 0.0 111.597 173.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.39 -4.15 24.69 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 172.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -57.72 -43.13 85.06 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 121.337 1.881 . . . . 0.0 113.204 -176.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -73.99 2.12 9.4 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.786 1.234 . . . . 0.0 113.617 174.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.4 -28.58 6.81 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 127.94 2.496 . . . . 0.0 111.819 -176.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 34.3 m-70 . . . . . 0 C--O 1.255 1.391 0 C-N-CA 128.768 2.827 . . . . 0.0 115.717 -174.814 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 24.7 m . . . . . 0 N--CA 1.509 2.511 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 36.8 mt -144.88 -171.51 3.65 Favored 'General case' 0 CA--C 1.556 1.193 0 O-C-N 120.243 -1.536 . . . . 0.0 111.873 -172.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.51 154.71 77.48 Favored Pre-proline 0 N--CA 1.489 1.507 0 C-N-CA 125.687 1.595 . . . . 0.0 111.745 -168.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -76.48 -51.54 0.1 OUTLIER 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.263 1.975 . . . . 0.0 114.609 -167.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.75 -37.55 84.86 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.358 -0.838 . . . . 0.0 112.232 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.43 -40.8 92.38 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.536 0.734 . . . . 0.0 111.848 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -56.24 -46.12 79.72 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 118.052 -0.975 . . . . 0.0 111.798 170.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.5 m -56.36 -42.53 77.94 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.046 1.294 . . . . 0.0 112.13 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -66.55 -35.91 81.38 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.923 -1.11 . . . . 0.0 112.62 174.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.5 t -61.63 -43.37 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-N 119.192 0.906 . . . . 0.0 111.156 169.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.23 -45.98 91.35 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.317 0.962 . . . . 0.0 111.063 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.87 -50.29 74.58 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.164 0.585 . . . . 0.0 111.151 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.05 -57.86 10.98 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.499 0.719 . . . . 0.0 112.299 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -66.38 -24.08 66.43 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.414 -0.804 . . . . 0.0 113.036 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.85 -50.53 64.87 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.673 1.13 . . . . 0.0 113.391 170.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -26.24 63.31 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 118.642 1.221 . . . . 0.0 112.508 175.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.06 -20.16 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.538 1.135 . . . . 0.0 113.234 172.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.43 141.2 4.65 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 124.813 1.197 . . . . 0.0 114.535 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 61.0 -35.21 0.09 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 128.346 2.658 . . . . 0.0 116.464 -169.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -77.57 -14.1 59.74 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.737 1.215 . . . . 0.0 113.551 173.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.28 -48.09 62.33 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.193 1.397 . . . . 0.0 114.438 -166.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.1 -35.37 92.0 Favored Glycine 0 N--CA 1.47 0.963 0 O-C-N 121.71 -0.619 . . . . 0.0 113.479 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -64.54 -44.85 89.5 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.903 0.881 . . . . 0.0 110.498 173.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -66.33 -35.4 80.26 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.34 -49.16 76.88 Favored Glycine 0 CA--C 1.533 1.207 0 CA-C-N 118.935 0.789 . . . . 0.0 112.264 170.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.86 91.2 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 117.765 0.783 . . . . 0.0 112.001 175.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.85 -40.57 95.37 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 121.252 -0.905 . . . . 0.0 113.122 173.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.08 89.36 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 120.677 1.58 . . . . 0.0 112.202 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.29 -50.6 67.25 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.223 1.009 . . . . 0.0 111.471 171.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.44 -43.47 96.79 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.459 -0.776 . . . . 0.0 111.784 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -60.47 -40.52 91.52 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.501 1.52 . . . . 0.0 111.652 173.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -61.45 -51.43 68.76 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.464 1.029 . . . . 0.0 111.884 171.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -63.16 -41.28 99.22 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.5 -32.69 62.61 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.83 0.741 . . . . 0.0 112.758 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.6 m -78.0 -18.6 55.73 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -146.81 69.17 12.04 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 123.645 0.778 . . . . 0.0 110.56 -170.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -62.08 -13.72 33.33 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.484 2.789 . . . . 0.0 115.464 -165.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.3 p -53.93 -25.71 21.79 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.474 1.51 . . . . 0.0 114.376 163.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.8 p -74.2 -35.49 63.95 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.144 1.338 . . . . 0.0 113.083 175.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -55.98 -34.7 65.98 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -178.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -55.62 -26.93 46.76 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.494 ' CZ ' HG22 ' A' ' 93' ' ' VAL . 0.6 OUTLIER -63.29 -22.05 66.63 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.782 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 30.54 59.06 0.96 Allowed Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 126.975 2.11 . . . . 0.0 113.38 -177.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -46.7 -57.05 2.49 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 124.121 3.214 . . . . 0.0 114.913 -161.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -161.15 17.67 0.11 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.631 1.572 . . . . 0.0 112.652 161.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.48 -176.8 4.52 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.129 1.372 . . . . 0.0 113.357 -162.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -130.84 143.99 51.13 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.423 1.489 . . . . 0.0 109.157 175.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.72 27.88 4.61 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.665 1.586 . . . . 0.0 112.906 -164.004 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 97.9 p -57.41 167.78 0.92 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.068 1.347 . . . . 0.0 113.689 170.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -57.85 114.5 2.34 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.066 -1.021 . . . . 0.0 111.028 174.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.88 5.48 62.68 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-O 118.754 -1.025 . . . . 0.0 115.488 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.6 116.25 3.57 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.518 1.659 . . . . 0.0 113.726 -173.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.5 -33.64 63.91 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.252 1.021 . . . . 0.0 113.163 177.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -62.56 -38.51 90.36 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.754 0.822 . . . . 0.0 112.04 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.5 t -69.12 -36.02 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 O-C-N 121.434 -0.791 . . . . 0.0 111.386 173.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -63.96 -45.68 88.07 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.537 1.062 . . . . 0.0 111.55 175.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.14 -51.78 56.77 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 124.164 0.888 . . . . 0.0 112.287 174.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -55.89 -43.98 77.73 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.934 0.893 . . . . 0.0 111.92 173.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.12 -48.95 79.82 Favored Glycine 0 CA--C 1.528 0.861 0 O-C-N 121.039 -1.038 . . . . 0.0 113.68 174.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -55.78 -43.48 76.82 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.025 0.93 . . . . 0.0 112.405 171.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.12 -50.29 68.85 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 118.35 -0.834 . . . . 0.0 112.869 175.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 69.0 t -56.09 -43.51 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 CA-C-N 120.302 1.41 . . . . 0.0 111.5 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.64 74.31 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -59.87 -36.02 76.04 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.45 -0.781 . . . . 0.0 112.299 176.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.32 -38.79 92.52 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.405 -0.81 . . . . 0.0 112.742 171.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mt -65.74 -41.21 92.47 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.695 -0.669 . . . . 0.0 111.914 170.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 45.5 m -58.94 -45.8 89.53 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.983 1.265 . . . . 0.0 111.708 171.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -61.54 -39.95 92.9 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.583 1.953 . . . . 0.0 112.446 175.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.08 -58.12 10.05 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.778 0.717 . . . . 0.0 110.371 167.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.8 t -52.53 -41.02 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 125.082 1.353 . . . . 0.0 112.908 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.55 -23.06 65.38 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.32 1.448 . . . . 0.0 114.63 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -135.77 24.14 3.37 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.296 1.438 . . . . 0.0 112.249 -171.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.86 -23.1 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -154.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.92 -5.99 40.17 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 120.094 1.315 . . . . 0.0 114.415 172.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -119.81 3.25 11.09 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.654 2.382 . . . . 0.0 112.453 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -61.81 -17.73 0.42 Allowed Pre-proline 0 CA--C 1.546 0.795 0 N-CA-C 117.862 2.542 . . . . 0.0 117.862 -178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.517 ' HA ' HG13 ' A' ' 135' ' ' VAL . 85.7 Cg_exo -45.92 -42.87 20.21 Favored 'Trans proline' 0 C--N 1.361 1.223 0 CA-C-N 123.936 2.441 . . . . 0.0 114.222 168.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -75.82 -50.62 14.64 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.328 0.651 . . . . 0.0 110.803 173.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.52 -16.13 63.77 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -170.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.0 mt -101.6 5.64 41.73 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.164 1.386 . . . . 0.0 112.984 173.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.7 t -57.61 -37.9 74.04 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 120.848 -1.157 . . . . 0.0 113.614 -177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.9 -25.8 61.32 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.717 1.144 . . . . 0.0 113.434 174.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 mt -89.14 -34.06 16.84 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.687 1.195 . . . . 0.0 110.677 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.2 t -57.98 -46.07 85.75 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 117.941 -1.028 . . . . 0.0 111.127 162.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -54.97 -51.22 66.86 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.439 1.472 . . . . 0.0 112.588 172.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.26 -53.46 28.25 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.511 0.725 . . . . 0.0 111.148 171.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -18.65 61.22 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -178.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.03 -11.9 12.67 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 121.176 1.807 . . . . 0.0 114.309 -170.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.26 -5.01 2.67 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.373 1.469 . . . . 0.0 113.981 178.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -130.1 -42.34 1.23 Allowed 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 115.316 1.598 . . . . 0.0 115.316 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.48 -54.8 2.59 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 23.0 mtm105 46.34 48.96 13.32 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 126.294 1.837 . . . . 0.0 114.547 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.494 HG22 ' CZ ' ' A' ' 42' ' ' TYR . 87.2 t -86.11 139.18 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.749 0.82 . . . . 0.0 111.187 177.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -41.66 128.24 2.41 Favored Pre-proline 0 CA--C 1.555 1.138 0 C-N-CA 127.658 2.383 . . . . 0.0 113.906 168.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -50.51 -15.66 1.69 Allowed 'Trans proline' 0 C--N 1.357 0.98 1 C-N-CA 125.306 4.004 . . . . 0.0 117.698 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.8 p -48.42 -36.07 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 120.827 -1.171 . . . . 0.0 112.327 169.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -65.94 -38.48 88.73 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.552 -0.737 . . . . 0.0 112.628 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -50.65 72.15 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.243 0.928 . . . . 0.0 110.156 172.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -54.58 -48.68 71.81 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.9 0.88 . . . . 0.0 110.479 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.94 -56.98 14.68 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.624 0.769 . . . . 0.0 112.352 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -41.42 87.34 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.912 0.778 . . . . 0.0 111.906 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.7 m -68.62 -43.42 76.4 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.248 0.931 . . . . 0.0 112.904 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -46.4 90.35 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.731 -0.606 . . . . 0.0 110.78 172.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 94.1 m -62.68 -39.42 93.9 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 117.958 -1.02 . . . . 0.0 111.821 176.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.8 mt -56.53 -55.94 27.5 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 120.468 1.485 . . . . 0.0 111.405 172.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.2 mt -48.26 -49.4 33.59 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.191 0.905 . . . . 0.0 111.224 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.22 -46.01 97.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 123.697 0.799 . . . . 0.0 112.548 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 87.2 m -64.62 -43.42 93.79 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.429 -0.795 . . . . 0.0 112.401 177.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.6 mt -58.62 -46.81 86.25 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.107 0.867 . . . . 0.0 109.514 176.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.97 -16.71 64.52 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.85 -12.58 50.08 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 119.408 1.004 . . . . 0.0 113.024 169.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -132.15 -14.01 3.07 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.992 1.317 . . . . 0.0 114.528 -175.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.2 mp -104.83 154.96 38.23 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 125.437 1.495 . . . . 0.0 110.807 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -52.87 -37.01 76.67 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 124.121 3.214 . . . . 0.0 115.819 -170.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.47 -33.79 0.1 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.088 0.955 . . . . 0.0 113.202 174.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 63.46 -4.28 0.33 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 116.018 1.858 . . . . 0.0 116.018 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.42 29.31 2.7 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.106 1.362 . . . . 0.0 111.37 -178.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.6 p -54.36 166.27 0.73 Allowed Pre-proline 0 N--CA 1.477 0.921 0 O-C-N 121.266 -0.896 . . . . 0.0 110.452 173.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -49.11 -38.11 39.72 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.105 1.87 . . . . 0.0 115.434 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.15 -53.03 7.07 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.796 0.331 . . . . 0.0 111.198 172.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.9 -34.06 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.075 -1.016 . . . . 0.0 112.172 -168.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -65.17 -51.14 62.94 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.639 1.563 . . . . 0.0 111.847 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.41 86.64 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.433 0.293 . . . . 0.0 110.959 173.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.0 m -58.14 -56.54 20.74 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.1 0.56 . . . . 0.0 111.949 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -75.26 -42.55 54.84 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.993 0.917 . . . . 0.0 112.01 -174.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -60.63 -51.07 70.95 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.814 1.188 . . . . 0.0 111.644 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.291 0.0 OUTLIER -71.08 -28.29 64.23 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 178.768 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -64.59 -50.8 65.78 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.791 1.178 . . . . 0.0 111.424 170.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.38 -36.84 81.38 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.96 0.8 . . . . 0.0 111.399 175.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.92 -54.5 46.27 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 118.514 -0.755 . . . . 0.0 111.172 170.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 69.3 m -60.9 -40.01 91.51 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.193 1.361 . . . . 0.0 114.163 177.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 55.5 t -55.67 -45.38 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-N 119.352 0.978 . . . . 0.0 110.476 171.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 67.9 m -74.2 -37.22 63.96 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 178.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 95.8 m -53.19 -44.97 68.36 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.213 1.37 . . . . 0.0 110.187 167.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.517 HG13 ' HA ' ' A' ' 77' ' ' PRO . 20.6 t -67.33 -46.05 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 124.438 1.095 . . . . 0.0 112.928 174.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -45.46 93.25 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.743 1.156 . . . . 0.0 112.024 176.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 92.5 m -66.77 -31.48 72.15 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.381 1.473 . . . . 0.0 113.146 176.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.47 0.546 0 C-N-CA 123.95 0.9 . . . . 0.0 111.018 172.979 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.331 2.5 p . . . . . 0 N--CA 1.514 2.75 0 CA-C-O 117.136 -1.411 . . . . 0.0 113.119 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 20.75 78.96 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 127.834 2.454 . . . . 0.0 116.109 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.26 160.84 17.81 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.014 175.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.5 p -64.97 154.14 87.09 Favored Pre-proline 0 N--CA 1.479 1.0 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.354 164.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.4 -35.68 85.3 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 122.551 2.167 . . . . 0.0 113.993 174.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.12 -43.62 67.25 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.438 0.695 . . . . 0.0 111.831 176.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -67.36 -38.78 85.32 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.33 -0.857 . . . . 0.0 112.216 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -53.39 -49.82 66.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.311 1.444 . . . . 0.0 111.029 168.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.3 t -59.39 -47.27 86.09 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.053 0.388 . . . . 0.0 111.774 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.86 -50.73 67.97 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.065 0.946 . . . . 0.0 113.48 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.34 -57.57 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 118.186 0.448 . . . . 0.0 111.616 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.2 m -70.06 -33.82 72.43 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.124 -0.985 . . . . 0.0 113.174 -168.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.92 -38.37 90.72 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 119.75 1.159 . . . . 0.0 112.416 175.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -31.96 66.37 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.645 -0.66 . . . . 0.0 112.219 174.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -36.71 82.68 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 120.936 -1.103 . . . . 0.0 112.898 166.306 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.12 -39.42 92.17 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.773 1.178 . . . . 0.0 114.312 174.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -89.91 -13.58 36.03 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.92 146.06 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.219 1.007 . . . . 0.0 113.263 -174.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -95.26 76.69 3.43 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.8 1.24 . . . . 0.0 109.428 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 95.1 t -47.61 -39.19 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -165.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -63.75 -60.42 3.32 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.898 0.879 . . . . 0.0 112.326 174.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -69.47 -49.69 52.51 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.53 0.732 . . . . 0.0 111.324 -174.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.99 -27.94 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.498 1.119 . . . . 0.0 112.235 179.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.95 -42.53 8.8 Favored Glycine 0 N--CA 1.468 0.801 0 CA-C-N 119.308 0.958 . . . . 0.0 112.195 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.02 -41.62 92.54 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-N 118.1 0.95 . . . . 0.0 111.765 167.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -62.56 -55.57 26.04 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 118.107 0.953 . . . . 0.0 112.52 168.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.97 -42.37 65.47 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 121.228 1.831 . . . . 0.0 113.403 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 tp -77.95 -54.62 6.09 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.762 0.825 . . . . 0.0 112.005 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.62 -45.25 96.21 Favored Glycine 0 N--CA 1.469 0.898 0 O-C-N 120.414 -1.429 . . . . 0.0 112.635 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -70.9 -10.18 59.15 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.763 1.225 . . . . 0.0 112.917 175.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -77.61 -44.36 28.57 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 120.122 1.328 . . . . 0.0 109.819 161.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.8 -25.52 67.95 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.462 -1.399 . . . . 0.0 113.299 175.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 m -75.27 -17.07 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 CA-C-N 120.535 1.516 . . . . 0.0 115.073 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.71 3.07 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-N 121.508 1.958 . . . . 0.0 113.685 -177.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 48.74 42.55 1.28 Allowed Pre-proline 0 CA--C 1.563 1.452 0 C-N-CA 125.817 1.647 . . . . 0.0 115.301 -163.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -75.72 168.17 24.85 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 123.666 2.911 . . . . 0.0 113.971 -173.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -24.57 65.61 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 170.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 25.4 p -60.84 -24.06 65.6 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 120.446 -1.409 . . . . 0.0 113.664 171.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -61.52 -8.95 4.83 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.913 -1.117 . . . . 0.0 113.512 -178.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -53.4 -33.37 53.55 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 118.967 -2.333 . . . . 0.0 113.559 170.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -88.31 9.08 24.45 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -49.77 -28.97 6.93 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 175.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -55.31 -14.06 1.65 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.17 1.788 . . . . 0.0 115.181 171.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 50.4 m -108.07 16.02 23.74 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.913 2.085 . . . . 0.0 113.486 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -117.62 4.77 12.35 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.743 1.217 . . . . 0.0 113.666 -178.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.95 -35.5 2.12 Favored Glycine 0 CA--C 1.533 1.216 0 N-CA-C 117.055 1.582 . . . . 0.0 117.055 162.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -141.39 -91.0 0.15 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.391 1.595 . . . . 0.0 111.785 -176.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 44.0 1.07 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 120.177 3.399 . . . . 0.0 120.177 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -59.91 -21.48 61.15 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 120.279 1.399 . . . . 0.0 114.298 -167.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 64.2 p -124.27 157.42 64.56 Favored Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 125.346 1.458 . . . . 0.0 110.598 164.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -55.76 -40.59 84.34 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.787 2.325 . . . . 0.0 114.715 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.85 -39.59 92.38 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.638 -0.664 . . . . 0.0 112.032 175.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.52 99.3 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.82 -26.0 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 119.719 1.145 . . . . 0.0 113.356 178.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -36.71 45.2 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.213 0.915 . . . . 0.0 112.925 174.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.28 -27.63 19.97 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 115.17 0.828 . . . . 0.0 115.17 -173.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.3 133.46 84.81 Favored Pre-proline 0 CA--C 1.555 1.149 0 CA-C-N 118.312 1.056 . . . . 0.0 113.613 -174.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.18 -32.74 16.26 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.766 2.31 . . . . 0.0 114.004 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -59.56 -45.86 90.58 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 120.481 1.492 . . . . 0.0 110.966 173.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 60.2 t -61.21 -37.09 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 CA-C-N 119.299 0.954 . . . . 0.0 112.773 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -68.77 -49.77 55.94 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 120.095 1.316 . . . . 0.0 112.795 174.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.66 98.45 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.896 0.878 . . . . 0.0 112.421 176.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -68.22 -33.37 74.28 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.14 -0.975 . . . . 0.0 111.669 175.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.12 -48.69 58.27 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 126.092 1.806 . . . . 0.0 113.377 165.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -59.81 -42.56 93.75 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 117.892 0.846 . . . . 0.0 112.048 171.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -62.52 -53.87 48.29 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.288 0.949 . . . . 0.0 113.007 176.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 12.3 p -58.22 -46.68 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-N 119.917 1.235 . . . . 0.0 112.082 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 tt -68.88 -39.33 79.86 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.279 -0.888 . . . . 0.0 111.818 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.79 -39.56 47.5 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.485 1.517 . . . . 0.0 113.697 171.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.43 -50.44 69.77 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.207 1.004 . . . . 0.0 111.903 168.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -58.97 -35.1 72.62 Favored 'General case' 0 CA--C 1.554 1.111 0 O-C-N 120.363 -1.46 . . . . 0.0 114.015 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 98.5 p -74.55 -37.67 62.94 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.227 -1.545 . . . . 0.0 113.434 173.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -56.95 -32.62 66.2 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.464 1.029 . . . . 0.0 111.578 164.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.12 -60.23 9.35 Favored Glycine 0 CA--C 1.523 0.532 0 C-N-CA 123.885 0.755 . . . . 0.0 111.812 170.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.5 mt -58.81 -26.8 64.45 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 178.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.75 -18.78 43.04 Favored 'General case' 0 CA--C 1.554 1.098 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 173.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -140.28 34.48 1.89 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.817 1.247 . . . . 0.0 113.282 -170.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 84.9 mt -55.83 -21.64 20.71 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -57.88 -33.09 68.33 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.174 1.39 . . . . 0.0 114.311 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -162.18 65.45 0.23 Allowed 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.382 0.992 . . . . 0.0 113.112 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 98.4 mt -45.81 -46.44 15.44 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.886 1.274 . . . . 0.0 113.717 -175.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -4.4 3.69 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.92 -10.21 52.76 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.347 1.451 . . . . 0.0 114.464 172.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 3.4 m -119.07 -28.76 5.42 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.048 1.339 . . . . 0.0 111.922 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -90.48 -4.67 56.8 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.305 1.042 . . . . 0.0 113.625 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.99 -37.77 61.68 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 -165.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 19.2 p -63.14 -41.72 99.34 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.129 0.972 . . . . 0.0 112.185 173.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 50.5 mt -66.81 -42.81 85.29 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 124.146 0.978 . . . . 0.0 110.969 171.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 7.0 m -61.84 -37.86 86.05 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 120.363 1.438 . . . . 0.0 112.613 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.78 -51.14 66.16 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.018 0.927 . . . . 0.0 111.959 171.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 21.8 tp -50.38 -52.78 34.32 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.272 -0.892 . . . . 0.0 111.427 171.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -71.24 8.97 0.85 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.26 1.424 . . . . 0.0 114.811 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 43.3 t -131.65 -70.0 0.6 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.315 1.046 . . . . 0.0 110.721 173.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -65.86 -16.5 63.89 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.155 1.382 . . . . 0.0 114.294 -175.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.35 -36.97 5.65 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.439 1.096 . . . . 0.0 112.696 166.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 12.5 mt -133.72 51.56 2.13 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.668 1.187 . . . . 0.0 113.747 -166.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -61.92 25.55 0.01 OUTLIER 'General case' 0 CA--C 1.567 1.598 0 C-N-CA 127.22 2.208 . . . . 0.0 116.808 -177.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 9.2 m -55.48 155.97 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.819 1.648 . . . . 0.0 113.272 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -56.36 136.77 75.87 Favored Pre-proline 0 CA--C 1.558 1.271 0 O-C-N 120.708 -1.245 . . . . 0.0 113.312 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -45.25 -31.69 6.48 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 123.977 3.118 . . . . 0.0 116.585 173.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.98 -31.95 70.39 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.027 -1.671 . . . . 0.0 113.038 175.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -58.14 -37.77 75.28 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.095 -1.003 . . . . 0.0 111.768 175.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -68.94 -45.8 69.82 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.664 1.186 . . . . 0.0 110.929 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -38.47 69.94 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 118.868 -0.587 . . . . 0.0 112.193 172.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.01 -50.2 67.22 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.405 1.002 . . . . 0.0 111.701 177.187 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.84 -46.49 78.16 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 122.804 0.442 . . . . 0.0 110.368 174.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -59.05 -44.22 96.44 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 124.532 1.063 . . . . 0.0 115.009 175.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -60.9 -46.0 92.38 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.532 1.166 . . . . 0.0 111.102 175.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 92.1 t -62.33 -37.18 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 O-C-N 121.036 -1.04 . . . . 0.0 112.912 172.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 56.8 tp -57.96 -56.28 24.05 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 119.05 0.841 . . . . 0.0 110.469 171.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.49 HG12 ' HB3' ' B' ' 130' ' ' TYR . 17.8 m -64.16 -28.43 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-N 120.011 1.278 . . . . 0.0 113.421 -178.182 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 4.7 m -53.72 -63.83 1.02 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 117.933 -1.032 . . . . 0.0 111.402 168.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 3.1 p -51.38 -36.89 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 120.145 1.339 . . . . 0.0 113.773 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.18 -48.33 78.83 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 121.458 -0.776 . . . . 0.0 110.816 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.98 12.66 0.5 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.201 1.401 . . . . 0.0 113.908 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -118.36 -53.27 2.35 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.903 1.281 . . . . 0.0 110.107 177.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -69.79 -31.3 69.13 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.529 -0.732 . . . . 0.0 112.508 172.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -119.0 32.73 5.98 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.633 1.573 . . . . 0.0 110.965 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -56.99 -31.64 61.69 Favored Glycine 0 CA--C 1.538 1.525 0 O-C-N 120.491 -1.381 . . . . 0.0 114.661 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -66.89 -16.07 64.07 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.697 1.199 . . . . 0.0 113.91 172.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -109.6 14.72 23.31 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.222 2.209 . . . . 0.0 111.809 -174.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -65.67 83.54 0.07 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.552 1.541 . . . . 0.0 112.556 -177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.78 158.07 84.38 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 124.319 1.048 . . . . 0.0 112.306 -178.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 124' ' ' PRO . . . . . 0.492 ' CB ' ' HD3' ' B' ' 125' ' ' PRO 0.386 2.9 Cg_exo -27.73 -92.21 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.088 1 C-N-CA 127.105 5.203 . . . . 0.0 118.622 -169.298 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' B' B ' 125' ' ' PRO . . . . . 0.492 ' HD3' ' CB ' ' B' ' 124' ' ' PRO . 23.1 Cg_exo -82.61 25.69 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 CA-C-N 124.455 2.627 . . . . 0.0 116.975 169.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 6.2 p -51.51 -41.22 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 CA-C-N 122.473 2.397 . . . . 0.0 114.559 -168.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -59.36 -48.17 82.65 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.306 0.957 . . . . 0.0 111.296 173.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.27 -37.28 86.65 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.425 1.09 . . . . 0.0 112.835 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.32 -51.85 64.3 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.778 0.831 . . . . 0.0 110.205 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.49 ' HB3' HG12 ' B' ' 111' ' ' VAL . 34.2 m-85 -57.65 -46.97 83.52 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 118.596 -0.716 . . . . 0.0 112.056 169.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -56.68 -33.07 66.06 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.904 1.229 . . . . 0.0 113.188 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -68.11 -45.64 73.12 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 120.449 1.477 . . . . 0.0 113.742 172.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 4.1 p -67.29 -38.1 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 CA-C-N 120.407 1.458 . . . . 0.0 111.627 173.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 25.4 t -60.54 -44.9 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.608 1.163 . . . . 0.0 111.581 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.82 -42.44 97.66 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.701 0.801 . . . . 0.0 112.079 172.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.32 -46.37 86.81 Favored Glycine 0 N--CA 1.473 1.101 0 O-C-N 121.785 -0.572 . . . . 0.0 112.897 172.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 50.2 t -66.3 -44.23 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.001 0.92 . . . . 0.0 111.792 176.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.08 -47.96 76.99 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.035 0.834 . . . . 0.0 111.744 173.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -65.13 -38.09 89.53 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.964 0.906 . . . . 0.0 113.082 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.12 -43.31 92.36 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.244 1.017 . . . . 0.0 112.527 174.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.24 -38.25 89.77 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.932 -1.105 . . . . 0.0 111.975 171.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.87 -5.35 16.25 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 170.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -55.88 -44.85 78.55 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 119.777 -1.827 . . . . 0.0 112.88 -175.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -66.25 -2.93 4.85 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 CA--C 1.543 0.676 0 C-N-CA 124.184 0.993 . . . . 0.0 111.514 -178.834 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.509 2.482 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 37.0 mt -144.87 -171.55 3.65 Favored 'General case' 0 N--CA 1.484 1.275 0 O-C-N 120.242 -1.536 . . . . 0.0 111.946 -172.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.45 154.75 77.37 Favored Pre-proline 0 N--CA 1.489 1.479 0 C-N-CA 125.466 1.506 . . . . 0.0 111.778 -168.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -76.46 -51.48 0.1 OUTLIER 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.218 1.945 . . . . 0.0 114.755 -168.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.53 84.99 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.508 -0.745 . . . . 0.0 112.25 -176.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.62 -40.7 92.86 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.514 0.725 . . . . 0.0 111.877 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -56.26 -46.01 79.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 117.993 -1.004 . . . . 0.0 111.849 170.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 63.2 m -56.58 -42.42 78.63 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 120.163 1.347 . . . . 0.0 112.11 176.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -66.74 -35.66 80.63 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.106 -0.996 . . . . 0.0 112.68 174.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.56 -43.53 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 CA-C-N 119.264 0.938 . . . . 0.0 111.231 168.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -60.18 -45.81 91.85 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.447 1.021 . . . . 0.0 111.111 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.01 -50.34 74.47 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.265 0.626 . . . . 0.0 111.169 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.17 -57.84 11.07 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.403 0.681 . . . . 0.0 112.394 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -66.31 -24.03 66.47 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.424 -0.797 . . . . 0.0 112.937 -177.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.83 -50.58 64.45 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 124.853 1.216 . . . . 0.0 113.234 171.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -26.13 63.17 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 118.637 1.218 . . . . 0.0 112.483 175.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 88.5 t -68.12 -20.32 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.467 1.107 . . . . 0.0 113.23 172.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.2 141.18 4.36 Favored Glycine 0 CA--C 1.542 1.755 0 C-N-CA 124.785 1.183 . . . . 0.0 114.656 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 60.97 -35.2 0.09 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 128.273 2.629 . . . . 0.0 116.542 -169.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -77.59 -14.0 59.76 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.864 1.265 . . . . 0.0 113.605 173.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.46 -48.06 62.93 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.222 1.409 . . . . 0.0 114.313 -166.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.99 -35.46 92.11 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 121.776 -0.577 . . . . 0.0 113.573 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.51 -44.88 89.53 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.901 0.88 . . . . 0.0 110.578 173.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -66.51 -34.99 79.16 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.61 -48.92 77.97 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 118.996 0.817 . . . . 0.0 112.384 170.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.76 91.78 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.75 0.82 . . . . 0.0 112.118 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.98 -40.49 95.05 Favored 'General case' 0 C--O 1.223 -0.304 0 O-C-N 121.336 -0.853 . . . . 0.0 113.123 173.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.74 -38.01 88.84 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 120.839 1.654 . . . . 0.0 112.302 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -64.44 -50.76 66.28 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.22 1.008 . . . . 0.0 111.215 172.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -60.28 -43.51 96.18 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.432 -0.792 . . . . 0.0 111.701 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -60.69 -40.4 92.05 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.282 1.433 . . . . 0.0 111.542 173.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 13.4 tmm? -61.41 -51.45 68.68 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.404 1.002 . . . . 0.0 111.937 171.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -63.16 -41.18 99.21 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.41 -32.58 62.72 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.914 0.779 . . . . 0.0 112.911 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' D' ' 128' ' ' ALA . 71.1 m -78.12 -18.53 55.54 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -146.94 69.17 11.88 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 123.615 0.766 . . . . 0.0 110.495 -170.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -62.04 -13.76 33.39 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.584 2.856 . . . . 0.0 115.433 -166.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 2.2 p -54.07 -24.96 19.25 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.492 1.517 . . . . 0.0 114.578 163.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 72.7 p -74.72 -35.6 62.69 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.124 1.329 . . . . 0.0 113.152 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -56.08 -34.73 66.26 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 121.305 -0.872 . . . . 0.0 113.298 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 2.4 t -55.69 -26.86 47.06 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 42' ' ' TYR . . . . . 0.499 ' CZ ' HG22 ' C' ' 93' ' ' VAL . 0.6 OUTLIER -63.4 -21.85 66.53 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -174.765 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 30.67 59.02 0.98 Allowed Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 126.878 2.071 . . . . 0.0 113.378 -177.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -46.67 -57.08 2.47 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 124.178 3.252 . . . . 0.0 115.064 -161.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -161.18 17.73 0.11 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.605 1.562 . . . . 0.0 112.699 161.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.68 -176.85 4.55 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.122 1.369 . . . . 0.0 113.327 -162.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -130.78 144.11 51.22 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.451 1.5 . . . . 0.0 109.183 175.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.9 27.81 4.56 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.605 1.562 . . . . 0.0 112.834 -163.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 97.6 p -57.4 167.78 0.91 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.002 1.321 . . . . 0.0 113.763 170.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -57.84 114.51 2.34 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.051 -1.031 . . . . 0.0 110.971 174.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.84 5.38 62.82 Favored Glycine 0 CA--C 1.538 1.511 0 CA-C-O 118.709 -1.051 . . . . 0.0 115.589 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.49 116.28 3.55 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.443 1.621 . . . . 0.0 113.783 -173.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.61 -33.56 64.08 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.219 1.008 . . . . 0.0 113.259 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -62.48 -38.63 90.61 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.664 0.786 . . . . 0.0 112.147 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 65.4 t -69.03 -36.03 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.654 0.782 . . . . 0.0 111.311 173.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -63.99 -45.66 88.04 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.509 1.049 . . . . 0.0 111.621 175.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.21 -51.67 57.39 Favored Glycine 0 N--CA 1.471 0.996 0 C-N-CA 124.052 0.834 . . . . 0.0 112.46 174.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -55.69 -44.22 77.16 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.952 0.901 . . . . 0.0 111.974 173.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -57.93 -49.08 78.02 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 120.894 -1.129 . . . . 0.0 113.689 174.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -55.58 -43.69 76.21 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.097 0.959 . . . . 0.0 112.258 171.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -50.35 68.65 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 118.229 -0.891 . . . . 0.0 112.702 175.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 69.0 t -56.03 -43.52 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 120.352 1.433 . . . . 0.0 111.415 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.65 -49.81 73.68 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 175.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -59.85 -35.9 75.75 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.528 -0.733 . . . . 0.0 112.269 176.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.08 93.56 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 121.512 -0.742 . . . . 0.0 112.82 171.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mt -65.47 -41.32 93.46 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 118.664 -0.684 . . . . 0.0 111.802 170.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 48.6 m -59.01 -45.84 89.68 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.959 1.254 . . . . 0.0 111.624 171.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -61.45 -39.92 92.58 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.503 1.921 . . . . 0.0 112.402 175.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.08 -58.23 9.55 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.694 0.679 . . . . 0.0 110.29 167.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 74.4 t -52.09 -41.44 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 125.123 1.369 . . . . 0.0 112.943 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.33 -22.92 65.58 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.401 1.48 . . . . 0.0 114.794 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -135.93 23.97 3.32 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.303 1.441 . . . . 0.0 112.351 -171.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.71 -23.08 25.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 N-CA-C 117.001 2.223 . . . . 0.0 117.001 -154.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.92 -6.11 39.91 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 120.205 1.366 . . . . 0.0 114.314 172.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -119.69 3.24 11.16 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.706 2.402 . . . . 0.0 112.451 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -62.39 -17.06 0.38 Allowed Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 117.995 2.591 . . . . 0.0 117.995 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 77' ' ' PRO . . . . . 0.514 ' HA ' HG13 ' C' ' 135' ' ' VAL . 87.3 Cg_exo -46.23 -42.87 21.68 Favored 'Trans proline' 0 C--N 1.358 1.051 0 CA-C-N 123.881 2.422 . . . . 0.0 113.996 167.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -75.92 -50.4 15.09 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.126 0.57 . . . . 0.0 110.753 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.63 -16.28 63.79 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -170.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 84.2 mt -101.36 5.65 42.33 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.055 1.342 . . . . 0.0 113.106 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 14.4 t -57.62 -38.01 74.27 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.719 -1.238 . . . . 0.0 113.514 -177.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.49 -26.14 60.83 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.898 1.226 . . . . 0.0 113.495 174.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 mt -89.0 -34.13 16.94 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.536 1.134 . . . . 0.0 110.709 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 13.1 t -57.94 -45.92 85.87 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 117.976 -1.012 . . . . 0.0 111.165 163.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -55.04 -51.13 67.27 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.489 1.495 . . . . 0.0 112.569 172.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.38 -53.39 29.56 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.385 0.674 . . . . 0.0 111.145 171.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -18.42 61.2 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -178.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.25 -11.64 12.57 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 121.128 1.785 . . . . 0.0 114.309 -170.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.4 -5.13 2.61 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.336 1.454 . . . . 0.0 113.96 178.431 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -129.98 -42.49 1.24 Allowed 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.48 -54.76 2.6 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 23.1 mtm105 46.39 49.1 13.38 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 126.234 1.814 . . . . 0.0 114.443 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 93' ' ' VAL . . . . . 0.499 HG22 ' CZ ' ' C' ' 42' ' ' TYR . 89.9 t -86.0 139.19 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.75 0.82 . . . . 0.0 111.275 177.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -41.69 127.94 2.44 Favored Pre-proline 0 CA--C 1.554 1.104 0 C-N-CA 127.929 2.492 . . . . 0.0 113.88 168.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -50.22 -15.97 1.65 Allowed 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 125.272 3.981 . . . . 0.0 117.659 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 9.8 p -48.34 -36.06 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.74 1.155 . . . . 0.0 112.325 169.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -66.1 -38.34 88.0 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.416 -0.802 . . . . 0.0 112.686 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -50.41 72.9 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.292 0.951 . . . . 0.0 110.266 172.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -54.79 -48.68 72.41 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.829 0.852 . . . . 0.0 110.412 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.8 -57.21 13.63 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.843 0.857 . . . . 0.0 112.286 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -41.28 87.14 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.008 0.822 . . . . 0.0 112.072 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 70.7 m -68.46 -43.46 76.94 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.201 0.91 . . . . 0.0 112.929 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -46.19 91.37 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.793 -0.567 . . . . 0.0 110.755 172.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 93.4 m -62.76 -39.58 94.58 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-O 117.88 -1.057 . . . . 0.0 111.721 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 23.1 mt -56.24 -56.28 22.95 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 120.57 1.532 . . . . 0.0 111.46 172.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 8.2 mt -48.15 -49.39 32.59 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.098 0.863 . . . . 0.0 111.248 176.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.12 -46.27 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 123.777 0.831 . . . . 0.0 112.434 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 86.2 m -65.18 -42.75 93.36 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.379 -0.825 . . . . 0.0 112.422 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.21 -47.46 83.41 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.228 0.922 . . . . 0.0 109.589 175.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.62 -17.09 64.64 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.7 -12.52 47.5 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.313 0.96 . . . . 0.0 113.217 169.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -132.21 -13.9 3.05 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -175.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 11.2 mp -104.8 155.12 37.99 Favored Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 125.264 1.426 . . . . 0.0 110.845 177.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -52.94 -37.04 77.46 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 124.111 3.207 . . . . 0.0 115.973 -170.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.28 -33.9 0.1 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.96 0.904 . . . . 0.0 113.281 173.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 63.8 -4.32 0.36 Allowed 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.57 29.0 2.68 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.527 1.531 . . . . 0.0 111.306 -177.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 2.6 p -54.15 166.11 0.71 Allowed Pre-proline 0 N--CA 1.478 0.959 0 O-C-N 121.361 -0.837 . . . . 0.0 110.289 172.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -49.06 -38.12 39.23 Favored 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 122.053 1.835 . . . . 0.0 115.447 174.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.97 -53.28 6.89 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.819 0.342 . . . . 0.0 111.359 172.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.68 -34.1 65.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 O-C-N 121.177 -0.952 . . . . 0.0 112.165 -168.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -64.99 -51.13 63.38 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 120.833 1.651 . . . . 0.0 112.145 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.9 -44.35 86.73 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 117.834 0.288 . . . . 0.0 110.784 173.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 49.4 m -58.33 -56.64 19.48 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.008 0.523 . . . . 0.0 112.119 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -75.05 -42.36 57.26 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.561 0.745 . . . . 0.0 111.843 -174.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -60.66 -51.18 70.48 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.757 1.162 . . . . 0.0 111.476 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . 0.286 0.0 OUTLIER -71.1 -28.26 64.19 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 178.709 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -64.5 -50.78 66.05 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 119.843 1.201 . . . . 0.0 111.445 170.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.65 -36.54 81.1 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.831 0.742 . . . . 0.0 111.423 175.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.96 -54.52 46.0 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 118.457 -0.783 . . . . 0.0 111.313 170.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 68.0 m -60.74 -40.17 91.4 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 120.339 1.427 . . . . 0.0 114.1 177.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 55.9 t -55.65 -45.36 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.493 1.042 . . . . 0.0 110.43 171.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 68.7 m -74.06 -37.35 64.29 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 95.0 m -53.05 -45.1 67.92 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 120.298 1.408 . . . . 0.0 110.209 167.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 135' ' ' VAL . . . . . 0.514 HG13 ' HA ' ' C' ' 77' ' ' PRO . 20.2 t -67.41 -45.64 85.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 124.289 1.036 . . . . 0.0 113.083 175.13 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -45.56 93.41 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.7 1.137 . . . . 0.0 111.968 176.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 91.7 m -66.6 -31.51 72.26 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.455 1.502 . . . . 0.0 113.245 175.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 N--CA 1.47 0.569 0 C-N-CA 123.907 0.883 . . . . 0.0 111.011 172.946 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.326 2.5 p . . . . . 0 N--CA 1.514 2.732 0 CA-C-O 117.077 -1.439 . . . . 0.0 113.002 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 20.77 78.97 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 127.932 2.493 . . . . 0.0 116.151 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.35 160.82 18.11 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.938 -0.476 . . . . 0.0 111.027 175.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 5.5 p -64.86 154.28 86.29 Favored Pre-proline 0 N--CA 1.478 0.946 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.446 164.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.49 -35.64 85.97 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.48 2.12 . . . . 0.0 114.09 174.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.2 -43.6 67.06 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.478 0.711 . . . . 0.0 111.824 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.48 -38.53 84.54 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.324 -0.86 . . . . 0.0 112.139 175.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -53.65 -49.65 67.45 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.283 1.433 . . . . 0.0 110.927 168.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 19.7 t -59.65 -47.07 87.07 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 117.982 0.355 . . . . 0.0 111.621 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.02 -50.58 68.7 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.044 0.938 . . . . 0.0 113.469 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.43 -57.55 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.235 0.47 . . . . 0.0 111.602 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 15.0 m -70.07 -34.06 72.7 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.023 -1.048 . . . . 0.0 112.938 -168.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.56 -38.3 89.54 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.782 1.174 . . . . 0.0 112.455 175.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.28 -30.94 63.76 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.48 -0.763 . . . . 0.0 112.1 174.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -36.92 83.66 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.154 -0.966 . . . . 0.0 112.87 166.089 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.93 -39.41 91.7 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.893 1.235 . . . . 0.0 114.172 175.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -89.98 -13.33 36.36 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 176.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.89 146.09 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 124.049 0.94 . . . . 0.0 113.432 -174.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -95.19 76.73 3.46 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.832 1.253 . . . . 0.0 109.448 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 95.7 t -47.65 -39.17 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -165.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -63.7 -60.38 3.38 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.965 0.906 . . . . 0.0 112.302 174.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -69.68 -49.58 52.2 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.449 0.7 . . . . 0.0 111.356 -174.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -27.85 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 124.395 1.078 . . . . 0.0 112.291 179.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.05 -42.27 8.91 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-N 119.24 0.927 . . . . 0.0 112.267 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.39 -41.31 93.12 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 118.014 0.907 . . . . 0.0 111.976 166.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -62.65 -55.62 25.25 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 118.159 0.979 . . . . 0.0 112.568 167.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.94 -42.23 65.24 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 121.346 1.884 . . . . 0.0 113.417 -177.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 28.0 tp -78.38 -54.63 5.98 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.737 0.815 . . . . 0.0 111.951 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.7 -44.78 97.01 Favored Glycine 0 CA--C 1.527 0.818 0 O-C-N 120.48 -1.388 . . . . 0.0 112.876 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -71.02 -10.3 59.52 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.487 1.515 . . . . 0.0 113.157 174.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -77.62 -44.48 28.13 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.274 1.397 . . . . 0.0 109.878 161.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.95 -25.44 67.88 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 120.526 -1.359 . . . . 0.0 113.336 175.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 5.0 m -75.18 -17.29 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-N 120.566 1.53 . . . . 0.0 115.068 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.56 2.97 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 CA-C-N 121.445 1.93 . . . . 0.0 113.778 -177.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 48.51 42.72 1.31 Allowed Pre-proline 0 CA--C 1.562 1.418 0 C-N-CA 125.884 1.674 . . . . 0.0 115.276 -163.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -75.63 168.06 25.17 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.566 2.844 . . . . 0.0 113.948 -173.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -24.67 65.08 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.617 1.339 . . . . 0.0 114.617 170.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 26.0 p -61.1 -23.9 65.84 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 120.478 -1.388 . . . . 0.0 113.683 171.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -61.47 -9.05 4.86 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 120.886 -1.134 . . . . 0.0 113.443 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -53.47 -33.42 54.14 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 118.929 -2.357 . . . . 0.0 113.348 170.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -88.25 9.17 23.95 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -49.88 -29.07 7.48 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 175.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -55.25 -14.04 1.59 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.14 1.776 . . . . 0.0 115.178 171.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 50.2 m -108.09 16.06 23.68 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.89 2.076 . . . . 0.0 113.386 176.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -117.6 4.8 12.36 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.691 1.196 . . . . 0.0 113.644 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.97 -35.48 2.12 Favored Glycine 0 CA--C 1.535 1.309 0 N-CA-C 117.105 1.602 . . . . 0.0 117.105 162.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -141.44 -91.04 0.15 Allowed 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 119.277 1.539 . . . . 0.0 111.72 -176.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 43.99 1.04 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 120.143 3.386 . . . . 0.0 120.143 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -59.76 -21.57 60.93 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 120.37 1.441 . . . . 0.0 114.231 -167.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 62.9 p -124.35 157.45 64.67 Favored Pre-proline 0 N--CA 1.47 0.562 0 C-N-CA 125.287 1.435 . . . . 0.0 110.545 164.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -55.84 -40.52 84.65 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.867 2.378 . . . . 0.0 114.678 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.83 -39.63 92.46 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.628 -0.67 . . . . 0.0 111.958 175.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.37 99.25 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.82 -25.97 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-N 119.808 1.185 . . . . 0.0 113.385 178.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.6 -36.75 43.86 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.148 0.885 . . . . 0.0 112.901 174.279 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.19 -27.72 19.91 Favored Glycine 0 CA--C 1.536 1.344 0 N-CA-C 115.103 0.801 . . . . 0.0 115.103 -174.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.15 133.41 84.26 Favored Pre-proline 0 CA--C 1.557 1.222 0 CA-C-N 118.446 1.123 . . . . 0.0 113.528 -174.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.23 -32.71 16.12 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.741 2.294 . . . . 0.0 114.0 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -59.68 -45.74 91.16 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 120.444 1.474 . . . . 0.0 111.012 173.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.08 -37.16 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 119.403 1.001 . . . . 0.0 112.743 174.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -68.96 -49.48 57.58 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 120.042 1.292 . . . . 0.0 113.029 174.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.63 98.48 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.963 0.905 . . . . 0.0 112.463 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -68.16 -33.45 74.5 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.923 -1.111 . . . . 0.0 111.791 174.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.18 -48.68 58.54 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.997 1.761 . . . . 0.0 113.467 165.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -59.81 -42.62 93.87 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 117.865 0.833 . . . . 0.0 112.01 171.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -62.03 -54.41 41.86 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.302 0.955 . . . . 0.0 113.128 175.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 12.8 p -57.77 -46.88 86.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 119.859 1.209 . . . . 0.0 112.118 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 tt -69.19 -39.24 78.79 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.168 -0.957 . . . . 0.0 111.691 177.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.83 -39.51 47.69 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.357 1.456 . . . . 0.0 113.788 171.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.44 -50.34 70.15 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.342 1.071 . . . . 0.0 111.915 168.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -59.09 -34.94 72.58 Favored 'General case' 0 CA--C 1.553 1.086 0 O-C-N 120.411 -1.431 . . . . 0.0 114.117 175.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 98.3 p -74.51 -37.72 63.02 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.262 -1.524 . . . . 0.0 113.445 173.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -56.98 -32.48 66.12 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.403 1.001 . . . . 0.0 111.696 164.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.1 -60.33 9.17 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 123.699 0.666 . . . . 0.0 111.857 170.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 mt -58.66 -26.85 64.22 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.82 -18.64 43.29 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 173.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -140.4 34.48 1.86 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.942 1.297 . . . . 0.0 113.234 -170.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 84.8 mt -55.87 -21.66 21.19 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -57.69 -33.13 68.04 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.122 1.369 . . . . 0.0 114.435 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -162.15 65.49 0.23 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.423 1.01 . . . . 0.0 113.166 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 98.5 mt -45.8 -46.6 15.49 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.838 1.255 . . . . 0.0 113.758 -175.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -4.37 3.56 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 178.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.85 -10.36 52.68 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 125.433 1.492 . . . . 0.0 114.502 172.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 3.4 m -119.06 -28.7 5.44 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.952 1.301 . . . . 0.0 111.982 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -90.48 -4.68 56.79 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.257 1.023 . . . . 0.0 113.667 -177.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.92 -37.95 61.33 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 115.67 1.729 . . . . 0.0 115.67 -165.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 19.4 p -62.98 -41.7 99.63 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.065 0.946 . . . . 0.0 112.29 173.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 50.8 mt -66.98 -42.67 84.67 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 124.188 0.995 . . . . 0.0 110.956 171.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 7.0 m -61.86 -37.97 86.52 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.41 1.459 . . . . 0.0 112.51 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.66 -51.31 65.7 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.939 0.896 . . . . 0.0 111.949 171.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 21.6 tp -50.3 -52.77 33.75 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.246 -0.909 . . . . 0.0 111.354 171.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -71.34 9.02 0.86 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.211 1.404 . . . . 0.0 114.762 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 43.7 t -131.74 -69.99 0.59 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.241 1.016 . . . . 0.0 110.699 173.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.72 -16.73 64.05 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.196 1.398 . . . . 0.0 114.295 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.12 -37.08 5.67 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.257 1.023 . . . . 0.0 112.574 166.401 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 12.5 mt -133.61 51.62 2.13 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 124.644 1.178 . . . . 0.0 113.745 -166.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -62.09 25.69 0.01 OUTLIER 'General case' 0 CA--C 1.567 1.621 0 C-N-CA 127.24 2.216 . . . . 0.0 116.753 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 9.3 m -55.63 155.98 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.767 1.627 . . . . 0.0 113.372 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -56.33 136.67 75.7 Favored Pre-proline 0 CA--C 1.558 1.259 0 O-C-N 120.649 -1.282 . . . . 0.0 113.257 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -44.65 -32.8 6.18 Favored 'Trans proline' 0 CA--C 1.545 1.07 0 C-N-CA 124.077 3.185 . . . . 0.0 116.206 173.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.38 -32.26 69.98 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 119.979 -1.7 . . . . 0.0 113.029 175.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -57.76 -38.23 75.02 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.035 -1.04 . . . . 0.0 111.697 175.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -68.62 -45.86 70.78 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.669 1.188 . . . . 0.0 111.012 174.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -38.39 69.9 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 118.847 -0.596 . . . . 0.0 112.229 172.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -49.96 67.78 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.509 1.049 . . . . 0.0 111.64 177.289 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.07 -46.6 78.94 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 122.799 0.44 . . . . 0.0 110.415 174.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.92 -44.27 96.21 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.628 1.109 . . . . 0.0 115.025 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.6 -46.06 91.65 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.647 1.224 . . . . 0.0 111.282 174.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.59 -37.08 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 O-C-N 121.203 -0.936 . . . . 0.0 113.039 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 57.0 tp -57.38 -57.07 14.28 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.187 0.903 . . . . 0.0 110.425 171.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 111' ' ' VAL . . . . . 0.479 HG12 ' HB3' ' D' ' 130' ' ' TYR . 16.9 m -63.45 -28.76 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 119.824 1.193 . . . . 0.0 113.432 -178.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 6.3 m -53.66 -64.09 0.94 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 117.766 -1.111 . . . . 0.0 111.41 167.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 2.9 p -51.46 -36.84 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 119.994 1.27 . . . . 0.0 113.392 -173.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.12 -47.82 81.15 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.59 -0.694 . . . . 0.0 110.824 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.54 12.99 0.52 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.119 1.367 . . . . 0.0 113.805 173.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -118.41 -53.1 2.35 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.873 1.269 . . . . 0.0 110.163 177.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 -69.75 -31.38 69.31 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.599 -0.688 . . . . 0.0 112.578 172.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -119.05 32.87 5.9 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.57 1.548 . . . . 0.0 110.885 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -57.03 -31.73 61.92 Favored Glycine 0 CA--C 1.539 1.541 0 O-C-N 120.755 -1.216 . . . . 0.0 114.651 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -66.7 -16.07 63.96 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.702 1.201 . . . . 0.0 113.851 171.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -109.72 14.75 23.18 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 127.198 2.199 . . . . 0.0 111.711 -174.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -65.55 83.58 0.06 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.52 1.528 . . . . 0.0 112.547 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.91 158.22 84.22 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 124.32 1.048 . . . . 0.0 112.216 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 124' ' ' PRO . . . . . 0.496 ' CB ' ' HD3' ' D' ' 125' ' ' PRO 0.386 3.3 Cg_exo -27.96 -91.88 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.028 1 C-N-CA 126.971 5.114 . . . . 0.0 118.544 -169.28 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' D' D ' 125' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' D' ' 124' ' ' PRO . 23.5 Cg_exo -83.03 25.9 0.67 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 CA-C-N 124.513 2.647 . . . . 0.0 116.928 169.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 6.2 p -51.79 -41.15 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 CA-C-N 122.272 2.306 . . . . 0.0 114.448 -168.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -59.18 -48.21 82.44 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.31 0.959 . . . . 0.0 111.366 173.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 128' ' ' ALA . . . . . 0.403 ' HB2' ' HA ' ' C' ' 35' ' ' SER . . . -63.46 -37.13 86.13 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.251 1.021 . . . . 0.0 112.882 178.152 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.36 -51.72 64.75 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.581 0.752 . . . . 0.0 110.364 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 130' ' ' TYR . . . . . 0.479 ' HB3' HG12 ' D' ' 111' ' ' VAL . 34.8 m-85 -57.66 -46.96 83.57 Favored 'General case' 0 C--O 1.222 -0.346 0 O-C-N 121.43 -0.793 . . . . 0.0 112.059 169.2 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -56.65 -33.1 66.01 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 119.948 1.249 . . . . 0.0 113.174 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -68.11 -45.28 74.11 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 120.435 1.47 . . . . 0.0 113.975 172.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 4.3 p -67.49 -38.46 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-N 120.342 1.428 . . . . 0.0 111.668 173.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.33 -45.1 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 124.739 1.216 . . . . 0.0 111.656 175.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.63 97.84 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.89 0.876 . . . . 0.0 112.063 172.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.19 -46.58 85.44 Favored Glycine 0 N--CA 1.474 1.188 0 O-C-N 121.785 -0.572 . . . . 0.0 112.943 172.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 51.5 t -65.98 -44.3 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.028 0.931 . . . . 0.0 111.907 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.14 -47.96 77.16 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.148 0.886 . . . . 0.0 111.584 173.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -65.04 -38.19 90.05 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.088 0.955 . . . . 0.0 113.003 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.25 -43.29 91.81 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.114 0.966 . . . . 0.0 112.528 175.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.18 -38.15 89.61 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.908 -1.12 . . . . 0.0 112.053 171.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.94 -5.27 16.2 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 170.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -55.96 -44.84 78.86 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 119.853 -1.78 . . . . 0.0 112.884 -175.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -66.19 -3.1 5.02 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -77.49 -21.84 52.19 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.202 1.001 . . . . 0.0 111.689 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 73.0 m80 . . . . . 0 C--O 1.256 1.407 0 C-N-CA 126.191 1.796 . . . . 0.0 112.575 175.544 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.5 m . . . . . 0 N--CA 1.515 2.823 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mp -142.64 -161.71 1.29 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.344 1.458 . . . . 0.0 111.165 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.9 p -115.51 153.09 47.7 Favored Pre-proline 0 N--CA 1.483 1.186 0 CA-C-N 120.178 1.354 . . . . 0.0 112.755 -172.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.33 -35.89 22.5 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.002 1.802 . . . . 0.0 113.763 -162.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.15 77.51 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 177.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.32 -44.39 79.25 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.041 0.837 . . . . 0.0 111.314 174.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -54.64 -48.19 72.58 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.603 0.638 . . . . 0.0 110.956 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.1 m -54.07 -47.93 71.15 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.77 0.828 . . . . 0.0 112.295 176.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -78.39 -28.19 46.9 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.1 -48.89 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-N 119.501 1.046 . . . . 0.0 110.2 167.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -58.06 -47.02 84.43 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.92 0.782 . . . . 0.0 111.27 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.89 -53.45 58.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.283 0.633 . . . . 0.0 112.101 177.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.53 -52.12 66.99 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.873 0.869 . . . . 0.0 112.061 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -65.83 -26.74 67.81 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.592 -0.692 . . . . 0.0 112.844 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.28 -40.83 97.94 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.566 1.079 . . . . 0.0 113.582 169.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -67.84 -37.75 82.29 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 118.551 1.175 . . . . 0.0 111.533 173.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 67.0 t -67.45 -24.5 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.997 1.719 . . . . 0.0 113.666 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.18 121.91 1.1 Allowed Glycine 0 CA--C 1.541 1.682 0 C-N-CA 125.103 1.335 . . . . 0.0 114.054 175.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 84.48 -31.89 0.07 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 129.658 3.183 . . . . 0.0 114.562 -175.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -88.08 -6.35 57.98 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.466 1.106 . . . . 0.0 113.158 170.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.43 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -46.4 -53.04 11.79 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.835 1.654 . . . . 0.0 113.662 -176.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.31 -36.58 89.67 Favored Glycine 0 N--CA 1.471 0.969 0 O-C-N 121.676 -0.64 . . . . 0.0 114.013 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.6 -43.75 84.93 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.329 1.452 . . . . 0.0 111.773 170.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -74.28 -36.22 63.78 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.717 -1.239 . . . . 0.0 113.566 176.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.66 -49.05 72.71 Favored Glycine 0 CA--C 1.533 1.198 0 CA-C-N 119.419 1.009 . . . . 0.0 111.54 168.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.8 -52.07 66.99 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.287 1.035 . . . . 0.0 111.752 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -64.71 -33.97 77.21 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.222 0.919 . . . . 0.0 112.312 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.1 -38.19 78.8 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.861 -1.149 . . . . 0.0 112.488 175.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.0 mt -62.6 -47.99 81.39 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.9 0.88 . . . . 0.0 111.091 169.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -59.03 -45.96 89.41 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.041 0.936 . . . . 0.0 111.512 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -51.36 -55.6 17.61 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.814 1.246 . . . . 0.0 111.874 169.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -54.32 -41.67 69.26 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.319 1.048 . . . . 0.0 112.724 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -65.31 -24.64 67.33 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 176.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -115.09 -13.19 11.85 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -173.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.1 p -75.96 -40.12 54.6 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.073 0.949 . . . . 0.0 111.768 161.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -131.83 81.57 62.68 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 126.0 1.72 . . . . 0.0 110.94 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -52.2 -15.88 4.12 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 124.618 3.546 . . . . 0.0 116.903 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.1 p -53.58 -44.32 69.26 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.41 1.084 . . . . 0.0 112.189 167.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.7 p -59.71 -27.85 66.82 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -177.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -53.3 -35.35 60.03 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.444 1.02 . . . . 0.0 112.133 170.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.58 -20.74 66.43 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 178.074 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.43 -18.26 65.26 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.447 -0.783 . . . . 0.0 113.07 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.2 79.06 10.02 Favored Pre-proline 0 CA--C 1.552 1.047 0 CA-C-N 119.412 1.006 . . . . 0.0 112.217 174.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.48 24.3 0.28 Allowed 'Trans proline' 0 CA--C 1.553 1.429 0 C-N-CA 125.079 3.853 . . . . 0.0 115.767 -168.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.16 -11.3 4.69 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.927 1.691 . . . . 0.0 113.063 176.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -76.91 123.58 26.49 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.641 0.776 . . . . 0.0 112.211 -168.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -81.85 62.88 5.85 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.19 0.996 . . . . 0.0 111.621 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 pp -65.55 22.32 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 126.735 2.014 . . . . 0.0 115.768 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 m -58.13 160.32 5.06 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.22 1.808 . . . . 0.0 112.855 173.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -57.9 123.94 17.54 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.066 -1.021 . . . . 0.0 110.971 173.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.09 7.1 66.13 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-O 119.048 -0.862 . . . . 0.0 115.216 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.8 t -53.84 108.17 0.33 Allowed 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.058 1.429 . . . . 0.0 114.276 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.9 -32.93 64.18 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.164 0.986 . . . . 0.0 112.516 170.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -66.03 -44.27 85.16 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.09 0.556 . . . . 0.0 111.337 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.07 -35.77 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.536 174.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -63.38 -47.02 83.79 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 120.217 1.371 . . . . 0.0 111.958 174.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.06 -51.57 56.02 Favored Glycine 0 N--CA 1.47 0.945 0 C-N-CA 124.191 0.901 . . . . 0.0 112.259 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -57.89 -41.78 83.29 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.777 -0.837 . . . . 0.0 111.496 173.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.95 -51.1 51.97 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 124.512 1.053 . . . . 0.0 113.712 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -54.48 -43.67 71.93 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 118.651 1.225 . . . . 0.0 112.391 172.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -65.93 -48.57 70.93 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.001 0.818 . . . . 0.0 112.307 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.8 t -54.7 -47.72 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 119.053 0.842 . . . . 0.0 111.033 172.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.43 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -67.75 -40.63 84.1 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -64.16 -37.31 87.01 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.233 -0.917 . . . . 0.0 111.875 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.11 -35.36 80.02 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.484 -0.76 . . . . 0.0 112.991 168.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mt -63.41 -45.28 91.71 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.224 0.92 . . . . 0.0 111.604 168.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.4 m -55.28 -45.87 76.18 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 120.286 1.403 . . . . 0.0 111.9 172.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -61.49 -43.98 97.9 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.996 1.319 . . . . 0.0 112.258 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.04 -50.51 70.74 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.53 -0.731 . . . . 0.0 111.412 170.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.99 -42.46 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.898 0.879 . . . . 0.0 112.055 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.91 -23.79 67.48 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 178.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -134.05 25.11 3.92 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.059 1.343 . . . . 0.0 112.699 -171.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.7 p -60.21 -25.6 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -169.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -71.99 -21.72 61.53 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 120.89 -1.131 . . . . 0.0 113.863 173.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -128.16 24.29 5.97 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 127.602 2.361 . . . . 0.0 111.95 -173.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.2 ttp -51.93 -36.14 27.89 Favored Pre-proline 0 CA--C 1.548 0.883 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -171.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.52 46.6 0.47 Allowed 'Trans proline' 0 CA--C 1.556 1.584 0 C-N-CA 124.403 3.402 . . . . 0.0 114.584 168.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -157.81 -39.05 0.07 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 128.588 2.755 . . . . 0.0 109.464 168.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.41 77.81 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.342 1.057 . . . . 0.0 113.833 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.9 mt -100.36 9.47 42.61 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -175.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 56.6 m -58.13 -31.81 67.54 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -177.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.41 70.26 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 120.849 -1.157 . . . . 0.0 112.973 171.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.2 mt -81.36 -35.04 31.33 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.259 1.023 . . . . 0.0 111.679 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 p -59.66 -43.7 93.83 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 118.727 -0.654 . . . . 0.0 110.458 167.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.65 -49.4 75.14 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.612 1.565 . . . . 0.0 112.385 173.244 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 tp -47.95 -67.19 0.3 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.723 1.209 . . . . 0.0 110.528 170.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -27.51 68.48 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -171.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.48 -41.7 69.01 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.773 0.829 . . . . 0.0 111.782 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -73.07 -45.55 56.66 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.429 0.692 . . . . 0.0 112.608 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.55 157.56 32.27 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.294 1.438 . . . . 0.0 112.216 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.9 mt 51.74 68.47 0.8 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.654 1.182 . . . . 0.0 113.102 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -63.06 13.52 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 118.042 2.608 . . . . 0.0 118.042 -170.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.0 t 25.37 86.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 129.524 3.13 . . . . 0.0 115.131 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -41.36 122.18 2.12 Favored Pre-proline 0 CA--C 1.549 0.911 0 C-N-CA 123.729 0.812 . . . . 0.0 111.099 164.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -40.8 -32.15 0.82 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 124.622 3.548 . . . . 0.0 116.014 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.4 p -50.56 -41.49 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 120.371 1.441 . . . . 0.0 111.484 174.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -74.36 -28.75 61.27 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 123.693 0.797 . . . . 0.0 111.349 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -57.32 -52.97 63.18 Favored 'General case' 0 C--N 1.344 0.346 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.081 162.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -56.83 -45.12 82.56 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.386 0.994 . . . . 0.0 110.291 -174.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.34 -61.15 2.68 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.251 1.02 . . . . 0.0 111.305 173.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 67.2 tp -57.75 -42.74 84.55 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.333 0.97 . . . . 0.0 112.162 -177.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.7 t -56.66 -53.64 55.31 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 124.757 1.223 . . . . 0.0 110.959 177.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -58.67 -46.83 86.35 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.937 0.495 . . . . 0.0 111.592 177.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 88.5 m -60.46 -39.96 89.45 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.77 0.828 . . . . 0.0 112.468 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.6 mt -61.59 -52.51 64.11 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 119.351 0.978 . . . . 0.0 110.664 173.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 17.9 mt -51.85 -47.49 64.39 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.526 0.73 . . . . 0.0 111.202 176.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.5 t -57.77 -50.13 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.21 1.004 . . . . 0.0 111.942 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.8 m -64.77 -37.05 86.3 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.21 0.914 . . . . 0.0 112.267 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.7 mt -64.03 -43.78 94.5 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.703 1.138 . . . . 0.0 111.954 172.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.86 -32.61 65.99 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 175.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.35 -6.13 22.65 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 175.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 -34.58 0.82 Allowed 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 -174.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.0 mp -67.21 158.4 81.77 Favored Pre-proline 0 CA--C 1.554 1.115 0 CA-C-N 119.338 0.972 . . . . 0.0 112.727 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -54.8 -32.99 79.39 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 123.927 3.084 . . . . 0.0 115.474 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.95 -53.39 0.2 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.537 1.135 . . . . 0.0 112.183 175.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 65.61 -32.03 0.15 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 127.135 2.174 . . . . 0.0 114.442 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -75.23 -5.23 43.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.011 1.725 . . . . 0.0 115.434 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.81 156.8 6.18 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 123.766 0.826 . . . . 0.0 111.01 -176.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.31 -46.35 22.1 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 121.271 1.314 . . . . 0.0 113.47 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.7 -12.31 60.39 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.5 t -104.3 -46.46 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 119.638 1.108 . . . . 0.0 111.801 175.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.578 ' CD2' HH21 ' B' ' 30' ' ' ARG . 4.1 t-80 -72.35 -40.23 67.53 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 121.234 1.834 . . . . 0.0 113.218 -175.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.93 -54.14 50.23 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.511 1.05 . . . . 0.0 110.321 166.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.4 t -49.9 -57.62 7.09 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.08 1.352 . . . . 0.0 113.438 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.63 -39.17 80.88 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 118.712 -0.661 . . . . 0.0 111.361 -176.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.42 -53.99 46.78 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.621 1.1 . . . . 0.0 112.022 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -33.3 75.52 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 119.082 -0.485 . . . . 0.0 111.269 178.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -62.71 -53.72 50.15 Favored 'General case' 0 CA--C 1.526 0.05 0 CA-C-N 119.123 0.874 . . . . 0.0 111.61 173.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 33.7 mt -60.89 -36.56 79.55 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.416 1.007 . . . . 0.0 112.175 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.14 -32.03 72.58 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.188 0.904 . . . . 0.0 113.411 171.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.7 m -77.31 -37.06 53.44 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.389 -1.445 . . . . 0.0 112.888 171.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.95 -51.64 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 119.135 0.879 . . . . 0.0 109.414 171.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 86.8 p -64.83 -40.64 95.52 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 118.238 -0.887 . . . . 0.0 113.196 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.3 m -48.94 -50.85 33.46 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.607 1.094 . . . . 0.0 111.203 169.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 91.6 t -65.88 -40.83 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 O-C-N 121.205 -0.935 . . . . 0.0 111.225 177.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -24.19 67.28 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 4.1 t -102.04 -17.25 16.15 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.687 1.195 . . . . 0.0 113.109 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 CA--C 1.545 0.761 0 C-N-CA 124.507 1.123 . . . . 0.0 112.372 165.652 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.301 2.4 p . . . . . 0 N--CA 1.51 2.529 0 CA-C-O 116.876 -1.535 . . . . 0.0 113.285 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 64.1 t60 13.5 85.36 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 128.145 2.578 . . . . 0.0 116.054 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.51 157.05 17.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.229 0.612 . . . . 0.0 110.841 177.236 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 7.8 p -64.3 154.6 82.75 Favored Pre-proline 0 N--CA 1.48 1.046 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.498 165.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -54.21 -39.33 86.85 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 122.468 2.112 . . . . 0.0 113.633 174.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -67.11 -46.0 75.47 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.534 0.734 . . . . 0.0 111.839 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.13 -38.86 79.07 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.791 178.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -54.23 -51.63 63.86 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.79 1.177 . . . . 0.0 110.745 168.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.6 t -54.87 -45.74 74.65 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.678 0.672 . . . . 0.0 111.331 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.69 -52.44 64.91 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.222 1.009 . . . . 0.0 113.128 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.1 p -66.46 -56.04 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.786 1.175 . . . . 0.0 112.168 176.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -67.36 -33.97 76.34 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.577 1.081 . . . . 0.0 112.686 -169.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.08 -38.27 78.92 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.69 1.132 . . . . 0.0 112.366 175.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.66 -39.8 88.34 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.852 -1.155 . . . . 0.0 110.748 172.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' TRP . . . . . 0.424 ' HE1' ' HB3' ' B' ' 72' ' ' SER . 0.2 OUTLIER -63.97 -6.97 7.04 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 115.197 1.555 . . . . 0.0 115.197 167.032 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.71 -39.73 8.64 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.93 1.252 . . . . 0.0 113.443 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.43 -10.33 38.39 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 175.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 p -53.28 139.24 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.502 1.121 . . . . 0.0 112.954 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -88.27 93.63 9.57 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 169.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.525 HG13 HD22 ' B' ' 68' ' ' LEU . 49.8 t -52.95 -39.02 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.457 1.103 . . . . 0.0 113.306 -174.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -72.04 -31.18 65.91 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -97.47 -42.36 7.75 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.116 0.871 . . . . 0.0 112.24 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -31.51 53.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 119.359 0.982 . . . . 0.0 111.269 168.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.15 -49.22 54.76 Favored Glycine 0 C--N 1.341 0.808 0 CA-C-N 120.072 1.306 . . . . 0.0 111.439 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.77 -47.95 88.43 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 117.362 0.581 . . . . 0.0 112.666 174.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -67.8 -35.29 78.38 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 117.439 -1.267 . . . . 0.0 112.462 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.14 -56.39 17.19 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 122.009 2.186 . . . . 0.0 110.715 175.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 tp -68.73 -36.78 78.85 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 121.634 -0.666 . . . . 0.0 111.479 -176.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.65 -51.6 57.66 Favored Glycine 0 CA--C 1.527 0.833 0 O-C-N 121.42 -0.8 . . . . 0.0 112.543 170.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.578 HH21 ' CD2' ' A' ' 122' ' ' HIS . 31.1 ttt180 -56.0 -23.36 32.3 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.795 1.638 . . . . 0.0 113.565 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.479 ' HA ' HG21 ' B' ' 109' ' ' VAL . 47.7 tp -65.09 -57.74 7.85 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.721 1.146 . . . . 0.0 110.256 167.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.18 -31.13 71.32 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.51 -0.744 . . . . 0.0 112.068 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.485 HG22 ' HA ' ' B' ' 30' ' ' ARG . 2.2 m -66.29 -8.0 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 176.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.9 -2.53 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 120.783 1.629 . . . . 0.0 112.69 171.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 56.38 41.5 0.79 Allowed Pre-proline 0 CA--C 1.564 1.499 0 O-C-N 120.941 -1.099 . . . . 0.0 113.247 -166.092 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -76.45 162.45 33.38 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.471 2.781 . . . . 0.0 113.06 -170.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 5.5 p90 -60.27 -25.37 65.65 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 120.91 -1.119 . . . . 0.0 113.805 168.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 42.2 p -55.72 -28.81 57.76 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.86 0.864 . . . . 0.0 112.948 172.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -58.45 -21.29 50.63 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.58 1.552 . . . . 0.0 113.208 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -27.8 18.2 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-N 120.297 1.408 . . . . 0.0 113.361 173.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.09 13.09 36.3 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.5 -8.6 27.56 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 176.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -49.95 -27.14 4.91 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.899 1.28 . . . . 0.0 114.349 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 49.6 p -96.18 -24.47 16.25 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.268 1.427 . . . . 0.0 114.34 172.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.61 -40.09 92.23 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.411 1.485 . . . . 0.0 112.009 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.98 -175.49 34.99 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 123.989 0.804 . . . . 0.0 114.846 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 43.61 -110.62 0.17 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.642 1.977 . . . . 0.0 111.997 -166.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 tt 60.38 -17.32 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 128.039 2.536 . . . . 0.0 117.504 174.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 14.1 t -49.38 -28.52 5.13 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.299 1.84 . . . . 0.0 113.58 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 81.4 p -125.5 150.77 68.9 Favored Pre-proline 0 N--CA 1.472 0.642 0 C-N-CA 123.173 0.589 . . . . 0.0 110.394 149.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -66.12 -26.08 50.41 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.493 2.129 . . . . 0.0 113.67 173.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -57.68 -38.85 75.84 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.838 -1.164 . . . . 0.0 111.323 167.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.61 -38.35 77.21 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 118.288 -0.863 . . . . 0.0 112.528 170.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.6 -41.44 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 CA-C-N 121.289 1.859 . . . . 0.0 113.006 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 25.3 ptp -77.77 -18.48 56.39 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 177.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -96.17 -23.43 17.22 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.454 1.026 . . . . 0.0 114.764 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -52.49 117.13 9.96 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 126.534 1.934 . . . . 0.0 112.012 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -47.7 -40.39 31.04 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.985 3.123 . . . . 0.0 114.582 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -65.04 -41.84 94.84 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.61 0.764 . . . . 0.0 111.897 176.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 86.0 t -69.09 -34.62 64.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 119.54 1.064 . . . . 0.0 111.866 175.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -64.4 -45.7 86.5 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 120.299 1.409 . . . . 0.0 111.628 170.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.39 -49.89 75.07 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.236 1.014 . . . . 0.0 112.789 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -33.18 75.04 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.68 -1.262 . . . . 0.0 112.925 173.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.31 -53.03 43.5 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 124.192 0.901 . . . . 0.0 111.899 167.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.6 -40.34 75.13 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 118.025 0.912 . . . . 0.0 112.463 172.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -67.14 -54.89 17.11 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.293 1.037 . . . . 0.0 113.413 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 17.6 m -59.18 -36.76 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 120.317 1.417 . . . . 0.0 111.452 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.525 HD22 HG13 ' B' ' 20' ' ' VAL . 7.0 tt -66.03 -41.24 91.16 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.507 1.123 . . . . 0.0 111.944 172.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.22 -37.08 78.56 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.164 1.364 . . . . 0.0 113.323 176.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.59 -44.55 93.68 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.609 -0.936 . . . . 0.0 112.376 169.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -59.72 -43.16 94.27 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 120.889 -1.132 . . . . 0.0 112.496 173.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' SER . . . . . 0.424 ' HB3' ' HE1' ' B' ' 15' ' ' TRP . 94.6 p -68.98 -40.39 78.85 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.711 1.141 . . . . 0.0 112.847 177.154 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -57.12 -34.75 68.67 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.889 0.768 . . . . 0.0 111.584 167.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.78 -60.66 8.33 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.664 1.126 . . . . 0.0 112.204 169.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.85 -29.95 69.82 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.059 1.43 . . . . 0.0 114.005 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.94 -27.58 64.87 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 172.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -143.73 49.46 1.39 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.555 1.542 . . . . 0.0 112.716 -170.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.08 -20.81 56.79 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.836 -1.165 . . . . 0.0 113.724 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -66.19 -24.27 66.6 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.135 1.374 . . . . 0.0 114.235 173.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -88.07 -73.28 0.49 Allowed 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 118.924 0.784 . . . . 0.0 111.662 -173.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 50.9 22.17 1.12 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 175.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -147.35 -61.02 0.28 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 126.072 1.749 . . . . 0.0 110.355 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.51 -30.26 60.49 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.323 0.964 . . . . 0.0 114.337 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -28.73 66.14 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.294 1.438 . . . . 0.0 113.522 174.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -122.69 12.35 9.89 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.503 1.121 . . . . 0.0 113.391 -174.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.34 -30.08 66.44 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 120.021 1.282 . . . . 0.0 114.357 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 20.7 p -71.22 -39.76 71.53 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.243 1.017 . . . . 0.0 112.366 170.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 16.9 mt -74.25 -40.12 62.57 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.743 1.217 . . . . 0.0 111.588 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 98.4 p -59.37 -52.66 64.68 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 123.348 0.659 . . . . 0.0 109.408 173.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -56.66 -45.54 81.61 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.985 0.914 . . . . 0.0 113.305 174.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.5 -64.13 0.97 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.139 0.882 . . . . 0.0 111.469 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -72.27 -19.72 61.64 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 118.107 -0.949 . . . . 0.0 112.645 -174.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 1.3 p -88.06 -27.61 21.87 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.517 1.508 . . . . 0.0 114.391 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -114.98 -30.67 6.32 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.741 1.155 . . . . 0.0 112.82 -172.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -27.51 35.49 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.419 0.687 . . . . 0.0 112.487 170.027 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 6.2 mt -129.3 -36.33 1.72 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.324 1.05 . . . . 0.0 113.818 -173.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 49.33 25.65 1.34 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.097 2.159 . . . . 0.0 115.843 -171.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 2.8 m -59.01 143.05 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.378 1.071 . . . . 0.0 113.308 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.64 141.66 97.93 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 125.878 1.671 . . . . 0.0 114.579 -169.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -51.45 -35.24 54.4 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 124.124 3.216 . . . . 0.0 117.832 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -58.57 -27.03 64.22 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.778 -1.201 . . . . 0.0 112.924 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -61.18 -37.7 83.87 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.699 0.8 . . . . 0.0 111.712 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.05 -47.19 72.11 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.719 0.808 . . . . 0.0 110.223 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 60.8 mtm-85 -56.94 -46.43 82.07 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.925 174.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 mt -54.39 -50.81 66.67 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.716 0.806 . . . . 0.0 113.061 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 tt -58.27 -41.53 84.51 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.401 0.68 . . . . 0.0 111.088 174.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -60.64 -48.94 83.74 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 121.076 -1.015 . . . . 0.0 114.673 174.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -59.12 -43.4 91.93 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.313 -1.11 . . . . 0.0 110.46 174.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.479 HG21 ' HA ' ' B' ' 31' ' ' LEU . 9.7 t -58.12 -47.96 85.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 124.202 1.001 . . . . 0.0 112.194 174.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 35.5 tp -56.07 -52.5 64.06 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 119.035 0.834 . . . . 0.0 110.959 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.495 HG12 ' HB3' ' B' ' 130' ' ' TYR . 5.7 m -64.56 -29.82 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 O-C-N 121.463 -0.773 . . . . 0.0 111.441 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.01 -35.57 64.4 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.361 -0.837 . . . . 0.0 112.814 176.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.88 -36.45 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 119.79 -1.819 . . . . 0.0 111.529 169.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.68 -37.0 85.72 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.532 0.605 . . . . 0.0 110.907 174.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.09 75.64 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 170.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -66.05 -59.49 3.75 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.08 0.855 . . . . 0.0 112.005 170.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -68.27 -28.28 67.06 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -171.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -128.74 22.69 5.84 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.12 0.968 . . . . 0.0 113.093 -170.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -43.89 -36.8 3.85 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.65 1.595 . . . . 0.0 116.589 -176.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -60.59 -24.29 65.35 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 125.598 1.559 . . . . 0.0 114.335 174.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -122.14 -8.86 8.72 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.188 2.195 . . . . 0.0 112.491 -174.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -80.51 70.06 7.13 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.439 1.496 . . . . 0.0 112.211 -172.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 32.4 p -63.59 160.3 44.86 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.402 1.081 . . . . 0.0 113.045 -175.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -47.4 -52.61 7.66 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.889 2.392 . . . . 0.0 115.142 167.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.64 -26.95 68.94 Favored 'Trans proline' 0 C--N 1.353 0.782 0 CA-C-N 121.522 1.579 . . . . 0.0 113.701 177.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -49.95 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 120.526 1.512 . . . . 0.0 110.835 171.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -36.95 85.99 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.754 -1.216 . . . . 0.0 111.857 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.12 94.84 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 171.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.71 -53.43 56.17 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.844 0.858 . . . . 0.0 111.385 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.495 ' HB3' HG12 ' B' ' 111' ' ' VAL . 36.5 m-85 -55.72 -44.4 77.45 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 122.005 -0.435 . . . . 0.0 111.576 172.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -58.48 -40.23 82.19 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 176.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -63.4 -42.96 98.79 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 120.789 1.631 . . . . 0.0 113.401 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 2.8 p -70.44 -36.06 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 CA-C-N 119.555 1.07 . . . . 0.0 112.183 173.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 9.5 t -57.6 -49.16 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.287 0.949 . . . . 0.0 112.027 170.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.67 -46.81 86.39 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.797 0.839 . . . . 0.0 110.647 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.44 -54.14 25.41 Favored Glycine 0 CA--C 1.531 1.089 0 CA-C-O 119.587 -0.563 . . . . 0.0 112.922 169.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.83 -40.73 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 118.609 1.204 . . . . 0.0 112.548 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.11 71.84 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.562 -0.711 . . . . 0.0 111.945 177.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -61.95 -36.22 80.78 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.862 0.755 . . . . 0.0 112.138 174.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.69 -43.24 84.94 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.15 0.98 . . . . 0.0 112.377 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -43.31 99.11 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.324 -0.86 . . . . 0.0 110.047 171.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.23 -4.57 5.37 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 174.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -54.48 -39.57 67.63 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.142 -1.599 . . . . 0.0 113.375 -177.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -66.87 -10.55 49.46 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 CA--C 1.546 0.808 0 C-N-CA 124.609 1.164 . . . . 0.0 113.828 -168.782 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 30.2 m . . . . . 0 N--CA 1.516 2.854 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 mp -142.82 -161.76 1.31 Allowed 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 125.3 1.44 . . . . 0.0 111.159 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 96.4 p -115.5 153.14 47.7 Favored Pre-proline 0 N--CA 1.482 1.131 0 CA-C-N 120.331 1.423 . . . . 0.0 112.751 -172.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.42 -35.83 22.28 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.884 1.723 . . . . 0.0 113.686 -162.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.65 -34.15 77.54 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 177.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.45 -44.26 79.1 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 118.951 0.796 . . . . 0.0 111.324 174.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -54.78 -48.0 73.25 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.635 0.652 . . . . 0.0 111.034 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 69.3 m -54.19 -47.91 71.55 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.738 0.815 . . . . 0.0 112.187 176.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -78.31 -28.44 47.4 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.89 -48.89 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.551 1.068 . . . . 0.0 110.294 167.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -58.18 -46.91 84.94 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 118.836 0.743 . . . . 0.0 111.284 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.89 -53.33 59.62 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.228 0.611 . . . . 0.0 112.163 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.67 -52.03 67.44 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.85 0.86 . . . . 0.0 112.034 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -65.85 -26.9 67.86 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.02 -40.84 97.55 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.556 1.074 . . . . 0.0 113.689 169.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 47.1 mmtt -67.85 -37.88 82.43 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 118.594 1.197 . . . . 0.0 111.595 173.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 67.2 t -67.37 -24.35 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.922 1.689 . . . . 0.0 113.679 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.37 122.07 1.18 Allowed Glycine 0 CA--C 1.542 1.766 0 C-N-CA 125.137 1.351 . . . . 0.0 114.034 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 84.25 -31.85 0.07 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 129.507 3.123 . . . . 0.0 114.676 -175.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -88.1 -6.36 57.95 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.524 1.13 . . . . 0.0 113.19 170.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -46.46 -52.98 12.04 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.813 1.645 . . . . 0.0 113.629 -176.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.42 -36.56 89.1 Favored Glycine 0 N--CA 1.47 0.964 0 O-C-N 121.753 -0.592 . . . . 0.0 113.947 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -57.61 -43.79 84.99 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.376 1.47 . . . . 0.0 111.754 170.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -74.06 -36.56 64.35 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.71 -1.244 . . . . 0.0 113.564 176.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.37 -49.39 69.1 Favored Glycine 0 CA--C 1.529 0.948 0 CA-C-N 119.396 0.998 . . . . 0.0 111.729 168.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.99 -50.38 73.59 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.151 0.98 . . . . 0.0 112.118 175.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -66.14 -33.58 76.09 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.136 -0.978 . . . . 0.0 112.321 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.16 -38.05 78.55 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.094 -1.004 . . . . 0.0 112.593 175.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 55.7 mt -62.69 -47.95 81.43 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.757 0.823 . . . . 0.0 111.153 169.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -58.97 -45.91 89.38 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.24 1.016 . . . . 0.0 111.519 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -51.53 -55.46 18.89 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.934 1.294 . . . . 0.0 111.793 169.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -54.38 -41.8 69.62 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.468 1.107 . . . . 0.0 112.617 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -65.38 -24.57 67.26 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 176.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -115.12 -13.3 11.83 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -173.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 88.0 p -75.79 -40.17 55.64 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.216 -0.927 . . . . 0.0 111.739 161.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -131.96 81.46 62.34 Favored Pre-proline 0 CA--C 1.542 0.666 0 C-N-CA 125.956 1.702 . . . . 0.0 110.82 -176.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -52.13 -16.06 4.21 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 124.703 3.602 . . . . 0.0 116.904 177.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 7.4 p -53.35 -44.27 68.38 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.403 1.081 . . . . 0.0 112.296 167.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 63.1 p -59.72 -27.8 66.78 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -177.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -53.59 -35.09 60.47 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 119.41 1.005 . . . . 0.0 112.034 171.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -20.8 66.48 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 178.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -18.28 65.27 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.373 -0.83 . . . . 0.0 113.066 177.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.11 79.0 10.12 Favored Pre-proline 0 CA--C 1.552 1.03 0 CA-C-N 119.4 1.0 . . . . 0.0 112.236 174.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -72.28 24.15 0.27 Allowed 'Trans proline' 0 CA--C 1.552 1.395 1 C-N-CA 125.317 4.011 . . . . 0.0 115.701 -168.205 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.28 -11.19 4.64 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.872 1.669 . . . . 0.0 113.033 176.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -76.94 123.6 26.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.759 0.824 . . . . 0.0 112.133 -168.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -81.9 62.94 5.92 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.088 0.955 . . . . 0.0 111.561 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 pp -65.59 22.29 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.723 2.009 . . . . 0.0 115.779 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 22.6 m -57.93 160.25 4.87 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.326 1.85 . . . . 0.0 112.836 173.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -57.76 123.93 17.39 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.129 -0.982 . . . . 0.0 110.991 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.01 7.26 66.1 Favored Glycine 0 CA--C 1.539 1.591 0 CA-C-O 119.015 -0.88 . . . . 0.0 115.157 -175.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 45.6 t -53.79 108.08 0.32 Allowed 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.091 1.445 . . . . 0.0 114.181 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.83 -32.99 64.07 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.066 0.946 . . . . 0.0 112.578 170.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -66.06 -44.29 84.96 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.108 0.563 . . . . 0.0 111.209 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.05 -35.7 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-O 118.503 -0.761 . . . . 0.0 111.483 174.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -63.45 -47.12 83.18 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 120.203 1.365 . . . . 0.0 111.895 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.94 -51.57 56.19 Favored Glycine 0 N--CA 1.471 1.03 0 C-N-CA 124.146 0.879 . . . . 0.0 112.313 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -57.89 -41.79 83.29 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.783 -0.833 . . . . 0.0 111.675 173.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.68 -51.32 49.41 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 124.627 1.108 . . . . 0.0 113.763 172.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -54.3 -43.86 71.47 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 118.674 1.237 . . . . 0.0 112.386 172.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -65.95 -48.48 71.18 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 118.918 0.781 . . . . 0.0 112.35 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 79.1 t -54.67 -47.66 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.168 0.895 . . . . 0.0 111.02 172.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 63' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -68.0 -40.51 83.0 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.09 -37.27 86.83 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.182 -0.949 . . . . 0.0 111.887 174.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.3 79.84 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.487 -0.758 . . . . 0.0 112.842 168.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 mt -63.47 -45.28 91.53 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.207 0.912 . . . . 0.0 111.624 168.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 36.6 m -55.29 -45.78 76.21 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 120.375 1.443 . . . . 0.0 112.057 172.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -61.51 -44.08 97.72 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.945 1.298 . . . . 0.0 112.189 175.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.02 -50.33 71.18 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.552 -0.718 . . . . 0.0 111.479 170.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 85.6 t -60.14 -42.26 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.905 0.882 . . . . 0.0 111.977 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.16 -23.69 67.41 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -134.08 24.95 3.91 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.005 1.322 . . . . 0.0 112.739 -171.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 12.6 p -60.11 -25.76 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -168.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -71.9 -21.67 61.6 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 120.901 -1.125 . . . . 0.0 113.855 173.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -128.27 24.25 5.93 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 127.468 2.307 . . . . 0.0 111.86 -173.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 24.2 ttp -51.87 -36.25 28.57 Favored Pre-proline 0 CA--C 1.549 0.93 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 -171.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -69.43 46.72 0.47 Allowed 'Trans proline' 0 CA--C 1.554 1.525 0 C-N-CA 124.331 3.354 . . . . 0.0 114.517 168.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -157.98 -39.1 0.07 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.636 2.774 . . . . 0.0 109.45 168.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.19 -36.47 77.7 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 176.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 65.9 mt -100.29 9.22 43.02 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -175.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 57.1 m -58.01 -31.78 67.3 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -177.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.2 -31.51 70.22 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.74 -1.225 . . . . 0.0 112.959 171.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mt -81.33 -35.04 31.43 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.336 1.054 . . . . 0.0 111.691 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 1.1 p -59.64 -43.85 93.71 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 118.807 -0.616 . . . . 0.0 110.331 167.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.66 -49.44 75.04 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.458 1.503 . . . . 0.0 112.402 173.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 tp -47.81 -67.19 0.3 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.777 1.231 . . . . 0.0 110.585 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -27.64 68.57 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.921 0.782 . . . . 0.0 113.014 -171.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.38 -41.67 69.38 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.712 0.805 . . . . 0.0 111.829 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -73.02 -45.59 56.87 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.462 0.705 . . . . 0.0 112.617 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.6 157.5 32.07 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.224 1.41 . . . . 0.0 112.243 -178.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 41.6 mt 51.68 68.47 0.8 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.795 1.238 . . . . 0.0 113.19 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 15.7 ttm-85 -62.88 13.49 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 118.061 2.615 . . . . 0.0 118.061 -170.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 t 25.15 86.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 129.534 3.134 . . . . 0.0 115.087 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -41.6 122.21 2.26 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 123.7 0.8 . . . . 0.0 111.094 164.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -40.64 -32.1 0.76 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 124.641 3.56 . . . . 0.0 115.983 174.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 4.4 p -51.0 -41.33 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 120.232 1.378 . . . . 0.0 111.233 174.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -74.36 -28.74 61.27 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 123.702 0.801 . . . . 0.0 111.331 -177.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 98' ' ' PHE . . . . . 0.422 ' C ' ' CD1' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -57.43 -52.97 63.24 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.069 163.147 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -56.82 -45.1 82.51 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.481 1.037 . . . . 0.0 110.343 -174.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 87.0 mt -57.38 -61.06 2.75 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.17 0.988 . . . . 0.0 111.415 173.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 67.8 tp -57.91 -42.96 85.84 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.32 0.964 . . . . 0.0 112.076 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 32.9 t -56.8 -52.22 65.89 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.585 1.154 . . . . 0.0 111.451 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -59.89 -46.38 89.49 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 122.761 0.425 . . . . 0.0 111.62 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 86.6 m -60.33 -40.29 90.13 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.924 0.889 . . . . 0.0 112.483 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 41.3 mt -61.4 -52.55 64.13 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 119.543 1.065 . . . . 0.0 110.8 173.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 17.9 mt -51.72 -47.77 63.87 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.616 0.766 . . . . 0.0 111.24 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 31.5 t -57.57 -50.16 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 C-N-CA 124.291 1.036 . . . . 0.0 112.029 175.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 20.2 m -64.81 -36.94 85.95 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.183 0.901 . . . . 0.0 112.338 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 11.9 mt -64.1 -43.75 94.4 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.584 1.084 . . . . 0.0 112.01 172.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.99 -32.43 66.1 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.36 -6.31 23.66 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 115.408 1.632 . . . . 0.0 115.408 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.64 -34.48 0.83 Allowed 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 -174.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 6.9 mp -67.34 158.43 82.02 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 119.263 0.938 . . . . 0.0 112.696 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.73 -32.95 78.49 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 124.042 3.161 . . . . 0.0 115.402 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -148.13 -53.4 0.19 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.552 1.141 . . . . 0.0 112.153 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 65.54 -31.99 0.15 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.235 2.214 . . . . 0.0 114.304 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -75.04 -5.34 43.57 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.964 1.706 . . . . 0.0 115.471 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.67 156.75 6.02 Favored Pre-proline 0 N--CA 1.481 1.081 0 C-N-CA 123.724 0.81 . . . . 0.0 111.025 -176.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.36 -46.19 22.73 Favored 'Trans proline' 0 CA--C 1.528 0.21 0 C-N-CA 121.307 1.338 . . . . 0.0 113.43 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.92 -12.16 60.29 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -178.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 55.1 t -104.42 -46.53 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 119.662 1.119 . . . . 0.0 111.844 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 122' ' ' HIS . . . . . 0.576 ' CD2' HH21 ' D' ' 30' ' ' ARG . 4.0 t-80 -72.02 -40.44 68.44 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 121.276 1.853 . . . . 0.0 113.303 -175.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.94 -54.22 49.42 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 119.504 1.047 . . . . 0.0 110.166 166.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 13.4 t -49.81 -57.62 7.0 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.027 1.331 . . . . 0.0 113.418 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.57 -39.23 81.09 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.747 -0.644 . . . . 0.0 111.391 -176.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.44 -53.88 48.29 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.638 1.108 . . . . 0.0 112.109 176.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -33.33 75.57 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 119.282 -0.389 . . . . 0.0 111.35 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -62.76 -53.7 50.38 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 119.06 0.846 . . . . 0.0 111.58 173.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 34.3 mt -60.72 -36.58 79.2 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.452 1.023 . . . . 0.0 112.188 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.36 -31.84 72.55 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 171.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 59.5 m -77.36 -37.03 53.07 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.509 -1.37 . . . . 0.0 112.932 171.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 74.4 t -55.95 -51.59 59.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 119.172 0.896 . . . . 0.0 109.602 171.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 87.0 p -64.78 -40.51 95.37 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 176.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 1.3 m -49.07 -50.74 35.25 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.522 1.056 . . . . 0.0 111.233 169.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.01 -40.83 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.028 -1.045 . . . . 0.0 111.18 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.3 -24.35 67.26 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 179.124 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 4.2 t -101.99 -17.29 16.17 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.724 1.21 . . . . 0.0 113.027 178.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 CA--C 1.544 0.745 0 C-N-CA 124.554 1.142 . . . . 0.0 112.399 165.548 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.301 2.4 p . . . . . 0 N--CA 1.508 2.461 0 CA-C-O 116.83 -1.557 . . . . 0.0 113.318 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 63.7 t60 13.19 85.42 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 128.21 2.604 . . . . 0.0 116.138 -176.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.45 157.13 17.62 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.219 0.607 . . . . 0.0 110.881 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 8.2 p -64.33 154.92 82.06 Favored Pre-proline 0 N--CA 1.48 1.071 0 CA-C-O 118.812 -0.613 . . . . 0.0 109.473 165.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -54.54 -39.12 89.72 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.327 2.018 . . . . 0.0 113.721 174.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -67.16 -46.0 75.31 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.544 0.738 . . . . 0.0 111.87 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.06 -38.76 79.26 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.404 -0.808 . . . . 0.0 111.848 178.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -54.44 -51.47 64.86 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.755 1.161 . . . . 0.0 110.651 168.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 22.6 t -55.01 -45.8 75.15 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.722 0.692 . . . . 0.0 111.235 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.61 -52.48 64.7 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.283 1.033 . . . . 0.0 113.117 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.47 -56.15 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 CA-C-N 119.658 1.117 . . . . 0.0 112.155 176.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 4.3 m -67.33 -33.94 76.31 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.58 1.082 . . . . 0.0 112.811 -168.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.4 78.87 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.451 1.023 . . . . 0.0 112.412 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.53 -39.59 88.68 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.153 -0.967 . . . . 0.0 110.829 172.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 15' ' ' TRP . . . . . 0.418 ' HE1' ' HB3' ' D' ' 72' ' ' SER . 0.3 OUTLIER -64.36 -6.53 7.27 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 167.54 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.77 -40.05 8.41 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.173 1.368 . . . . 0.0 113.447 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.17 -10.27 39.39 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 175.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 p -53.22 139.08 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 124.644 1.178 . . . . 0.0 113.051 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -88.34 93.35 9.49 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.41 -0.806 . . . . 0.0 108.859 169.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 20' ' ' VAL . . . . . 0.543 HG13 HD22 ' D' ' 68' ' ' LEU . 50.2 t -52.73 -39.13 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 124.496 1.119 . . . . 0.0 113.249 -174.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -72.22 -29.69 64.2 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -98.92 -42.35 7.18 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.015 0.825 . . . . 0.0 112.18 -178.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.5 -31.47 53.72 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.55 0 CA-C-N 119.573 1.079 . . . . 0.0 111.203 168.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.07 -49.1 56.14 Favored Glycine 0 N--CA 1.468 0.807 0 CA-C-N 120.077 1.308 . . . . 0.0 111.551 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.93 -47.88 88.81 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 117.248 0.524 . . . . 0.0 112.781 174.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -67.6 -35.49 79.06 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 117.411 -1.28 . . . . 0.0 112.531 175.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.17 -56.25 18.29 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 121.939 2.154 . . . . 0.0 110.744 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -68.72 -36.94 79.08 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.762 -0.587 . . . . 0.0 111.464 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.403 ' O ' HG13 ' D' ' 33' ' ' VAL . . . -60.74 -51.41 58.84 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-N 118.945 0.793 . . . . 0.0 112.404 170.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 30' ' ' ARG . . . . . 0.576 HH21 ' CD2' ' C' ' 122' ' ' HIS . 31.3 ttt180 -56.16 -23.2 33.36 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.774 1.629 . . . . 0.0 113.743 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 31' ' ' LEU . . . . . 0.459 ' HA ' HG21 ' D' ' 109' ' ' VAL . 48.0 tp -65.09 -57.81 7.67 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.678 1.126 . . . . 0.0 110.22 167.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.09 -31.35 71.77 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.503 -0.748 . . . . 0.0 112.072 -175.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 33' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' D' ' 30' ' ' ARG . 2.2 m -66.2 -7.82 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 176.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 t -79.01 -2.54 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 CA-C-N 120.828 1.649 . . . . 0.0 112.637 171.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 56.19 41.64 0.83 Allowed Pre-proline 0 CA--C 1.564 1.496 0 O-C-N 120.923 -1.111 . . . . 0.0 113.264 -165.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -76.45 162.51 33.32 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 123.412 2.741 . . . . 0.0 113.199 -170.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 5.8 p90 -60.24 -25.35 65.59 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 168.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 41.5 p -55.85 -28.64 57.41 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.85 0.86 . . . . 0.0 113.058 172.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -58.33 -21.45 49.54 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.543 1.537 . . . . 0.0 113.284 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -27.73 17.97 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 120.196 1.362 . . . . 0.0 113.333 173.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.12 13.01 36.53 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.758 1.223 . . . . 0.0 114.201 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -8.73 28.03 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 176.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -49.66 -27.31 4.54 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.937 1.295 . . . . 0.0 114.387 179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 51.0 p -96.15 -24.49 16.25 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.236 1.414 . . . . 0.0 114.322 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.54 -40.14 92.56 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.227 1.411 . . . . 0.0 112.013 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.06 -175.53 35.22 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.03 0.824 . . . . 0.0 114.903 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 43.58 -110.57 0.17 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.58 1.952 . . . . 0.0 112.025 -166.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 tt 60.36 -17.4 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 128.082 2.553 . . . . 0.0 117.564 174.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 13.9 t -49.33 -28.51 4.97 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.289 1.836 . . . . 0.0 113.646 177.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 81.1 p -125.45 150.73 68.63 Favored Pre-proline 0 N--CA 1.471 0.578 0 C-N-CA 123.216 0.606 . . . . 0.0 110.482 149.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -66.08 -26.05 50.69 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.601 2.201 . . . . 0.0 113.655 173.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.68 -38.84 75.86 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 120.732 -1.23 . . . . 0.0 111.372 167.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.59 -38.35 77.31 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 118.335 -0.84 . . . . 0.0 112.63 170.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -41.47 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 CA-C-N 121.178 1.808 . . . . 0.0 113.034 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 25.3 ptp -77.75 -18.43 56.5 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -96.23 -23.35 17.23 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 124.399 1.0 . . . . 0.0 114.724 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -52.54 117.17 10.11 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 126.572 1.949 . . . . 0.0 112.0 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -47.63 -40.54 30.62 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.995 3.13 . . . . 0.0 114.603 175.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -65.02 -41.89 94.91 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.443 0.697 . . . . 0.0 111.842 176.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 85.7 t -68.97 -34.57 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 119.616 1.098 . . . . 0.0 111.904 175.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -64.38 -45.66 86.73 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 120.237 1.38 . . . . 0.0 111.659 170.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.42 -49.97 74.7 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.176 0.99 . . . . 0.0 112.794 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -33.11 74.85 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.627 -1.295 . . . . 0.0 113.12 173.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.32 -53.11 42.98 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 124.264 0.935 . . . . 0.0 111.853 167.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.47 -40.45 74.91 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 118.028 0.914 . . . . 0.0 112.471 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -67.19 -54.86 17.21 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.242 1.017 . . . . 0.0 113.437 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 17.3 m -58.91 -36.93 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 120.371 1.442 . . . . 0.0 111.605 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 68' ' ' LEU . . . . . 0.543 HD22 HG13 ' D' ' 20' ' ' VAL . 7.0 tt -65.96 -41.28 91.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.345 1.058 . . . . 0.0 111.883 173.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.09 -37.2 78.36 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.149 1.357 . . . . 0.0 113.355 176.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.67 93.56 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.675 -0.897 . . . . 0.0 112.207 170.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -59.62 -43.28 93.85 Favored 'General case' 0 CA--C 1.55 0.954 0 O-C-N 120.791 -1.193 . . . . 0.0 112.533 173.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 72' ' ' SER . . . . . 0.418 ' HB3' ' HE1' ' D' ' 15' ' ' TRP . 93.5 p -68.86 -40.54 79.28 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.848 1.204 . . . . 0.0 112.843 177.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -56.95 -34.96 68.55 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.891 0.768 . . . . 0.0 111.578 167.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.61 -60.61 8.37 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 124.692 1.139 . . . . 0.0 112.259 169.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.0 -29.92 69.98 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.115 1.457 . . . . 0.0 113.931 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.0 -27.51 64.76 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 172.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -143.66 49.27 1.4 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.608 1.563 . . . . 0.0 112.731 -170.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 90.6 mt -59.06 -20.78 56.48 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 120.868 -1.145 . . . . 0.0 113.635 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -66.14 -24.35 66.65 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.121 1.368 . . . . 0.0 114.26 173.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -87.92 -73.37 0.49 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.863 0.756 . . . . 0.0 111.779 -173.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 50.91 22.16 1.12 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 175.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -147.3 -61.08 0.28 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 126.254 1.822 . . . . 0.0 110.483 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.57 -30.32 60.28 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.431 1.015 . . . . 0.0 114.273 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.73 -28.66 66.05 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.331 1.452 . . . . 0.0 113.524 173.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -122.72 12.15 9.85 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.458 1.103 . . . . 0.0 113.444 -174.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.21 -30.24 66.32 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 21.0 p -71.17 -39.66 71.73 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.161 0.984 . . . . 0.0 112.454 170.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 16.9 mt -74.27 -40.0 62.61 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.714 1.206 . . . . 0.0 111.637 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 98.4 p -59.42 -52.77 64.18 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 123.347 0.659 . . . . 0.0 109.381 173.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -56.63 -45.52 81.49 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.913 0.885 . . . . 0.0 113.359 174.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 34.6 tp -56.44 -64.13 0.97 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.261 -0.9 . . . . 0.0 111.53 177.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -72.31 -19.69 61.62 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 118.091 -0.957 . . . . 0.0 112.622 -174.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 1.3 p -88.09 -27.61 21.85 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 120.593 1.542 . . . . 0.0 114.429 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -114.96 -30.62 6.34 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.689 1.131 . . . . 0.0 112.786 -172.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -27.33 35.24 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.339 0.656 . . . . 0.0 112.58 170.01 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 6.2 mt -129.45 -36.19 1.69 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.519 1.128 . . . . 0.0 113.898 -173.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 49.17 25.67 1.25 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.124 2.17 . . . . 0.0 115.852 -171.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 2.8 m -59.01 143.18 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.36 1.064 . . . . 0.0 113.266 -177.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.77 141.66 97.82 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 125.777 1.631 . . . . 0.0 114.564 -169.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -51.38 -35.39 54.16 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 124.243 3.296 . . . . 0.0 117.86 -177.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -58.43 -27.08 64.01 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 120.572 -1.33 . . . . 0.0 112.998 176.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -61.09 -37.75 83.82 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.716 0.806 . . . . 0.0 111.766 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -67.08 -47.24 71.85 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.682 0.793 . . . . 0.0 110.192 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 60.6 mtm-85 -56.85 -46.52 81.69 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 118.618 -0.706 . . . . 0.0 110.868 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 mt -54.41 -50.82 66.7 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.729 0.811 . . . . 0.0 112.953 176.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 tt -58.14 -41.56 83.96 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.4 0.68 . . . . 0.0 111.151 174.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -60.72 -48.87 84.08 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 121.058 -1.026 . . . . 0.0 114.773 174.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -58.99 -43.66 91.48 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.307 -1.113 . . . . 0.0 110.441 174.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 109' ' ' VAL . . . . . 0.459 HG21 ' HA ' ' D' ' 31' ' ' LEU . 10.0 t -57.89 -47.92 85.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 124.154 0.982 . . . . 0.0 112.341 174.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 35.7 tp -56.1 -52.5 64.09 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 118.899 0.772 . . . . 0.0 110.981 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 111' ' ' VAL . . . . . 0.488 HG12 ' HB3' ' D' ' 130' ' ' TYR . 5.8 m -64.57 -29.79 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 O-C-N 121.484 -0.76 . . . . 0.0 111.501 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.97 -35.51 64.49 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.232 -0.918 . . . . 0.0 112.933 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.78 -36.86 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 119.733 -1.855 . . . . 0.0 111.248 169.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.56 -37.08 85.96 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.581 0.628 . . . . 0.0 110.818 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.61 -35.1 75.31 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 170.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -66.09 -59.65 3.58 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.025 0.829 . . . . 0.0 111.787 170.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -68.31 -28.27 67.03 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -171.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -128.9 22.74 5.76 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.231 1.012 . . . . 0.0 113.053 -170.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -43.68 -37.0 3.68 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 125.661 1.601 . . . . 0.0 116.556 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -60.82 -24.18 65.66 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.602 1.561 . . . . 0.0 114.33 175.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -122.32 -8.71 8.65 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.418 2.287 . . . . 0.0 112.593 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -80.53 69.74 7.08 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.491 1.517 . . . . 0.0 112.282 -173.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 32.7 p -63.46 160.34 43.38 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 124.343 1.057 . . . . 0.0 112.973 -175.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -47.49 -52.75 7.47 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 123.018 2.478 . . . . 0.0 115.049 167.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.45 -26.84 70.48 Favored 'Trans proline' 0 C--N 1.355 0.887 0 CA-C-N 121.573 1.598 . . . . 0.0 113.712 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.48 -50.24 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 120.496 1.498 . . . . 0.0 110.919 171.12 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.87 -36.21 83.62 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.208 -0.932 . . . . 0.0 112.082 -178.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.76 92.54 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 171.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.68 -53.54 54.79 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.068 0.947 . . . . 0.0 111.402 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 130' ' ' TYR . . . . . 0.488 ' HB3' HG12 ' D' ' 111' ' ' VAL . 37.1 m-85 -55.88 -44.4 78.09 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 122.07 -0.394 . . . . 0.0 111.627 173.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -58.22 -40.38 81.49 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.797 -1.189 . . . . 0.0 113.845 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -63.45 -43.08 98.42 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 120.803 1.638 . . . . 0.0 113.307 176.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 2.9 p -70.42 -35.84 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 CA-C-N 119.607 1.094 . . . . 0.0 112.277 174.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 8.8 t -57.89 -49.07 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.284 0.947 . . . . 0.0 111.882 170.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.69 -46.59 86.93 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.697 0.799 . . . . 0.0 110.732 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.7 -54.06 26.58 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.555 -0.581 . . . . 0.0 112.89 169.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -40.69 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 118.586 1.193 . . . . 0.0 112.469 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.1 -48.01 72.32 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.482 -0.761 . . . . 0.0 112.037 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -62.05 -36.17 80.83 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.853 0.752 . . . . 0.0 112.047 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.18 85.0 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.158 0.983 . . . . 0.0 112.417 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -43.5 98.74 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.406 -0.808 . . . . 0.0 110.152 171.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.13 -4.48 5.0 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 174.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -54.76 -39.39 68.31 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.133 -1.604 . . . . 0.0 113.45 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -67.1 -10.28 48.43 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -98.8 -7.06 28.09 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.685 1.194 . . . . 0.0 113.907 -168.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 . . . . . 0 C--O 1.254 1.326 0 C-N-CA 124.65 1.18 . . . . 0.0 113.822 -163.182 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.509 2.523 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.7 mt -147.28 179.64 7.5 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 119.848 -1.783 . . . . 0.0 112.384 -173.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -105.91 167.86 9.06 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 127.192 2.197 . . . . 0.0 109.745 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -76.66 -41.37 0.43 Allowed 'Trans proline' 0 CA--C 1.54 0.792 0 CA-C-N 121.401 1.536 . . . . 0.0 113.033 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.73 -35.65 77.39 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -35.78 77.5 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.551 -0.718 . . . . 0.0 112.379 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -56.83 -49.61 74.89 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.828 1.251 . . . . 0.0 109.813 173.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.5 m -58.04 -49.82 75.56 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.945 0.898 . . . . 0.0 111.939 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -65.16 -39.66 93.27 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.818 0.735 . . . . 0.0 112.325 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.1 t -62.02 -47.65 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 124.307 1.043 . . . . 0.0 111.64 173.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -59.93 -45.41 92.7 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.353 0.979 . . . . 0.0 111.295 175.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.48 -52.19 66.67 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.212 0.605 . . . . 0.0 111.281 176.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.77 -54.44 46.31 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.787 0.835 . . . . 0.0 112.15 176.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -62.83 -27.89 69.64 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.534 -0.728 . . . . 0.0 112.798 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.29 -44.0 98.29 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.762 1.172 . . . . 0.0 113.488 171.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -71.85 -35.62 69.9 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 118.615 1.207 . . . . 0.0 111.408 174.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.5 t -59.04 -44.4 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.057 0.943 . . . . 0.0 111.273 174.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.64 -135.94 5.03 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.635 1.588 . . . . 0.0 115.423 169.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.08 -22.58 61.0 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 178.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -71.99 -12.08 61.07 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.621 1.169 . . . . 0.0 113.392 178.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.5 -45.82 26.73 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.748 1.219 . . . . 0.0 114.162 -175.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.59 -34.54 90.23 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 119.716 -0.491 . . . . 0.0 113.587 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -66.98 -46.01 75.89 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.911 0.884 . . . . 0.0 110.153 174.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -65.25 -35.81 82.18 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.748 -0.595 . . . . 0.0 111.517 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.23 -47.89 75.7 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 124.029 0.823 . . . . 0.0 112.627 170.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.8 -46.68 81.43 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.275 1.037 . . . . 0.0 111.77 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -64.68 -38.32 90.6 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 121.448 -0.783 . . . . 0.0 112.321 174.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.442 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -65.65 -40.05 92.04 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.434 -0.791 . . . . 0.0 112.262 177.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.7 -42.74 97.92 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.967 1.307 . . . . 0.0 111.626 171.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.82 -45.79 89.15 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.645 0.778 . . . . 0.0 111.981 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -36.12 81.5 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.058 -1.026 . . . . 0.0 112.635 173.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -61.72 -42.47 99.0 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.166 0.893 . . . . 0.0 111.226 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -62.54 1.69 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.837 0.855 . . . . 0.0 111.283 167.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.33 -34.74 61.23 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 119.739 -0.784 . . . . 0.0 113.034 -157.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -70.5 -20.14 62.87 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.0 68.72 11.63 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.446 1.098 . . . . 0.0 110.532 -166.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -54.29 -21.62 23.58 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 123.834 3.023 . . . . 0.0 116.095 -174.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.4 p -52.21 -26.61 12.09 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.648 1.579 . . . . 0.0 114.502 166.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.9 p -64.01 -37.47 87.54 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.87 -1.144 . . . . 0.0 113.235 170.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' HA ' ' HE3' ' A' ' 40' ' ' LYS . 0.4 OUTLIER -68.43 -32.41 72.42 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -165.103 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.0 t -58.78 -25.57 63.2 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 175.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -67.52 -23.7 65.48 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.682 -1.261 . . . . 0.0 113.446 172.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -150.28 77.75 8.09 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 124.488 1.115 . . . . 0.0 112.507 178.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.96 -148.25 0.02 OUTLIER 'Trans proline' 0 CA--C 1.549 1.262 0 C-N-CA 123.872 3.048 . . . . 0.0 110.066 166.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.29 0.7 OUTLIER 57.52 12.41 1.51 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 126.44 1.896 . . . . 0.0 116.064 -175.651 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -105.39 133.82 49.52 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.344 1.857 . . . . 0.0 110.678 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -99.79 80.35 2.33 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.51 1.524 . . . . 0.0 111.567 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.7 mt -74.67 36.22 0.1 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.409 1.483 . . . . 0.0 114.498 -174.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -74.21 40.74 0.13 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.679 1.992 . . . . 0.0 113.299 176.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 55.52 151.49 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 130.827 3.651 . . . . 0.0 116.615 -164.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 46.39 37.91 8.73 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 126.177 1.846 . . . . 0.0 116.428 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 p -68.97 151.7 46.19 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -163.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.03 -18.74 59.43 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.598 1.159 . . . . 0.0 113.746 173.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -90.59 -45.19 9.06 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.483 1.113 . . . . 0.0 111.394 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.3 t -68.55 -36.49 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 O-C-N 121.246 -0.909 . . . . 0.0 111.742 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.31 -45.79 90.34 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.629 1.104 . . . . 0.0 112.213 173.143 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.56 -51.1 38.62 Favored Glycine 0 N--CA 1.47 0.929 0 C-N-CA 123.971 0.796 . . . . 0.0 111.902 -178.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -54.3 -42.65 70.33 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.505 0.722 . . . . 0.0 111.366 171.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.06 -51.94 46.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 121.104 -0.997 . . . . 0.0 114.122 170.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -59.01 -37.8 77.74 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 118.813 1.306 . . . . 0.0 112.454 176.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.5 -49.46 59.56 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 118.449 -0.786 . . . . 0.0 112.687 175.102 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 83.7 t -55.1 -44.74 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-N 119.983 1.265 . . . . 0.0 110.638 173.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.95 -51.59 69.38 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 174.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -59.25 -38.69 80.65 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.923 0.783 . . . . 0.0 112.287 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.79 88.66 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 171.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.75 -42.96 97.76 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 119.08 -0.486 . . . . 0.0 111.356 171.131 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.7 m -58.91 -45.2 90.87 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.61 1.096 . . . . 0.0 111.921 171.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -59.78 -42.96 94.5 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.486 1.114 . . . . 0.0 111.896 174.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.29 -50.57 73.14 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.64 -0.663 . . . . 0.0 111.598 170.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.0 t -55.54 -39.79 55.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 119.513 1.051 . . . . 0.0 112.185 175.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.36 -23.46 65.6 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -144.48 41.25 1.34 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.087 1.355 . . . . 0.0 111.729 -173.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 p -64.43 -12.39 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 -161.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.56 -7.0 20.03 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 169.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -114.29 -2.72 13.25 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.191 1.797 . . . . 0.0 112.553 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.411 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 23.4 ptt? -56.19 -20.47 0.54 Allowed Pre-proline 0 CA--C 1.544 0.748 0 N-CA-C 118.071 2.619 . . . . 0.0 118.071 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.88 -37.58 29.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 CA-C-N 123.968 2.453 . . . . 0.0 114.089 165.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -88.84 -41.18 12.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.729 0.812 . . . . 0.0 112.533 175.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 76' ' ' MET . . . -67.78 -11.46 58.51 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -177.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.2 mt -110.89 7.44 21.8 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.317 1.447 . . . . 0.0 113.219 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.5 m -53.36 -36.85 61.82 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.828 1.195 . . . . 0.0 114.114 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.53 -28.03 65.07 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 174.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.9 mt -86.54 -35.77 19.33 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.329 1.051 . . . . 0.0 111.092 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.9 m -63.28 -34.36 77.51 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 117.99 -1.005 . . . . 0.0 112.032 165.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.23 -51.08 69.2 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.368 1.44 . . . . 0.0 112.198 167.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 tp -49.1 -45.06 42.75 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.963 0.802 . . . . 0.0 111.881 173.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -70.26 -70.17 0.31 Allowed 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.535 -0.728 . . . . 0.0 110.832 175.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.05 -14.81 26.2 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -171.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -130.61 10.23 5.14 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.455 1.502 . . . . 0.0 113.299 -171.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -138.74 -50.57 0.54 Allowed 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 174.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.03 -12.41 2.19 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 44.46 33.91 0.98 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 128.206 2.602 . . . . 0.0 115.869 177.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.9 t -56.94 135.43 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -165.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -45.39 121.24 5.02 Favored Pre-proline 0 CA--C 1.55 0.96 0 C-N-CA 126.234 1.814 . . . . 0.0 112.519 174.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -46.54 -18.48 0.5 Allowed 'Trans proline' 0 C--N 1.352 0.749 1 C-N-CA 125.409 4.073 . . . . 0.0 117.046 176.484 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.7 p -51.44 -39.53 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 120.442 1.474 . . . . 0.0 111.854 168.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -57.8 -37.41 73.71 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.741 1.616 . . . . 0.0 112.589 174.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -63.22 -52.58 61.65 Favored 'General case' 0 C--N 1.345 0.4 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.456 172.277 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -54.2 -44.04 71.27 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 119.336 0.971 . . . . 0.0 110.75 -172.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.0 mt -55.19 -64.37 0.86 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.442 1.097 . . . . 0.0 110.576 174.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -35.47 73.39 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -177.124 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.9 t -60.62 -51.77 67.99 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.278 1.031 . . . . 0.0 111.865 174.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -59.69 -39.55 84.94 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 121.876 -0.515 . . . . 0.0 111.041 174.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 56.0 m -59.24 -46.96 87.1 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.731 -0.652 . . . . 0.0 111.84 174.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.5 mt -60.83 -49.69 76.46 Favored 'General case' 0 N--CA 1.461 0.117 0 C-N-CA 123.659 0.784 . . . . 0.0 111.795 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.7 mt -51.15 -39.52 56.53 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.886 0.475 . . . . 0.0 111.78 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 37.1 t -68.38 -51.84 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 118.285 -0.864 . . . . 0.0 113.034 170.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.5 p -64.82 -36.43 84.32 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 120.488 1.495 . . . . 0.0 112.916 -172.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.98 -48.17 80.79 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.225 1.375 . . . . 0.0 109.979 170.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.4 ' CB ' ' CE1' ' B' ' 116' ' ' HIS . . . -71.04 -20.35 62.39 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -172.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.52 -13.3 20.07 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 170.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -132.1 -13.3 3.16 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -173.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.0 mp -98.37 154.96 37.37 Favored Pre-proline 0 CA--C 1.554 1.106 0 C-N-CA 124.915 1.286 . . . . 0.0 110.467 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -56.91 -33.71 95.62 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 123.503 2.802 . . . . 0.0 115.724 -171.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.3 -45.79 0.17 Allowed 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 117.826 -1.083 . . . . 0.0 113.919 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 58.48 -9.28 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 116.566 2.062 . . . . 0.0 116.566 -175.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -119.24 6.63 11.21 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.0 p -47.33 150.05 1.69 Allowed Pre-proline 0 N--CA 1.473 0.687 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 175.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -52.21 -31.78 47.46 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 CA-C-N 120.263 1.13 . . . . 0.0 114.817 -172.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.33 -47.47 27.6 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 168.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.89 -43.17 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 120.591 -1.318 . . . . 0.0 113.413 -174.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.63 -39.72 88.43 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 122.219 2.282 . . . . 0.0 111.638 176.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.01 -58.39 8.09 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 122.822 0.449 . . . . 0.0 110.263 174.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 61.5 p -62.03 -51.95 65.94 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -177.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.71 -39.5 91.28 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.592 1.087 . . . . 0.0 112.049 -177.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -67.14 -50.51 61.02 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 120.033 1.288 . . . . 0.0 111.928 175.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -26.13 66.75 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.689 0.677 . . . . 0.0 112.748 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -68.53 -51.3 44.49 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.626 1.17 . . . . 0.0 112.071 168.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -58.27 -33.82 69.83 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.679 -1.263 . . . . 0.0 112.022 173.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.41 -35.09 68.29 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 172.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.3 p -70.06 -43.15 71.79 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.025 -1.672 . . . . 0.0 110.885 171.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 53.2 t -53.44 -51.98 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.44 1.496 . . . . 0.0 111.137 170.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 86.2 p -64.55 -40.01 94.8 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 119.364 0.984 . . . . 0.0 113.012 178.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.0 m -52.01 -55.77 18.45 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 118.896 0.771 . . . . 0.0 110.228 170.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 31.0 m -69.66 -27.54 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -176.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.45 -12.61 59.98 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 119.157 0.889 . . . . 0.0 112.907 171.278 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 98.8 m -96.44 -28.47 14.42 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.378 1.471 . . . . 0.0 111.807 171.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 59.1 m . . . . . 0 N--CA 1.471 0.606 0 C-N-CA 124.882 1.273 . . . . 0.0 112.48 170.104 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.33 2.2 p . . . . . 0 N--CA 1.514 2.763 0 CA-C-O 117.04 -1.457 . . . . 0.0 113.282 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 75.9 t60 14.22 84.05 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 128.213 2.605 . . . . 0.0 116.268 -172.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.11 161.22 8.93 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.597 0.759 . . . . 0.0 111.25 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 2.4 p -65.04 155.51 83.69 Favored Pre-proline 0 N--CA 1.48 1.039 0 O-C-N 121.688 -0.632 . . . . 0.0 109.558 163.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -55.89 -41.08 80.83 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 122.467 2.111 . . . . 0.0 113.752 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -68.33 -42.38 79.39 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.161 0.584 . . . . 0.0 111.572 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.49 -43.46 97.18 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.328 0.651 . . . . 0.0 111.212 175.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -54.77 -53.15 58.84 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.577 0.751 . . . . 0.0 111.25 172.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m -55.62 -41.83 74.04 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.268 0.94 . . . . 0.0 111.943 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.48 -41.53 98.57 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.5 p -69.69 -56.56 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 120.221 1.373 . . . . 0.0 111.424 171.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.1 m -67.72 -36.14 80.06 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.243 0.929 . . . . 0.0 113.244 -168.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.67 88.38 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 120.191 1.359 . . . . 0.0 112.294 175.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 tt -72.78 -28.17 62.44 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.66 -0.65 . . . . 0.0 111.417 173.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -63.87 -41.1 97.84 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.402 -0.811 . . . . 0.0 111.26 166.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.67 -27.86 50.33 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 125.446 1.498 . . . . 0.0 115.51 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -100.24 -5.73 27.12 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.696 1.198 . . . . 0.0 113.973 174.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.408 HG22 HG11 ' B' ' 23' ' ' VAL . 0.4 OUTLIER -65.22 138.74 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.495 1.118 . . . . 0.0 111.862 -174.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -88.93 67.04 8.1 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.245 1.018 . . . . 0.0 111.337 -175.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 48.8 t -39.7 -45.08 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 126.171 1.789 . . . . 0.0 115.585 -164.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.15 -57.24 11.21 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.047 0.939 . . . . 0.0 112.547 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -70.07 -52.33 24.76 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.189 0.996 . . . . 0.0 111.068 -175.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.408 HG11 HG22 ' B' ' 18' ' ' VAL . 0.8 OUTLIER -66.08 -29.21 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 125.841 1.656 . . . . 0.0 112.491 -179.474 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.05 -40.26 10.62 Favored Glycine 0 C--N 1.34 0.799 0 C-N-CA 124.295 0.95 . . . . 0.0 112.337 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.75 -41.44 99.06 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-N 118.198 0.999 . . . . 0.0 111.917 167.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -64.59 -41.17 96.43 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.191 -0.909 . . . . 0.0 112.865 171.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.59 -57.49 12.72 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 120.506 1.503 . . . . 0.0 111.335 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.3 tp -65.84 -39.97 91.32 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.353 -0.842 . . . . 0.0 112.39 -177.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.36 -47.17 87.29 Favored Glycine 0 N--CA 1.469 0.865 0 CA-C-N 119.019 0.827 . . . . 0.0 112.425 177.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.31 -37.5 55.93 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.982 1.313 . . . . 0.0 112.829 172.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.21 -48.89 23.93 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 123.49 0.716 . . . . 0.0 111.002 176.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.551 HD21 ' CE2' ' B' ' 45' ' ' PHE . 1.4 mm? -75.68 -30.9 59.53 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.2 -0.937 . . . . 0.0 112.404 -179.156 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 1.1 m -70.73 -12.09 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -0.79 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 CA-C-N 120.462 1.483 . . . . 0.0 113.617 170.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 12.3 t80 45.66 47.19 3.75 Favored Pre-proline 0 CA--C 1.562 1.412 0 C-N-CA 125.62 1.568 . . . . 0.0 114.325 -166.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -81.82 170.0 14.45 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.074 2.516 . . . . 0.0 114.228 -171.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 4.9 p90 -57.61 -28.81 63.98 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 169.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -60.95 -22.06 64.06 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.529 1.532 . . . . 0.0 113.856 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -57.74 -24.16 55.62 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.605 1.093 . . . . 0.0 112.889 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.01 -33.83 8.51 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.738 1.215 . . . . 0.0 113.43 171.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -92.79 11.56 26.57 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.459 1.504 . . . . 0.0 113.7 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -60.54 -15.87 31.81 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 178.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -50.52 -17.08 0.44 Allowed 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.803 1.409 . . . . 0.0 114.803 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 53.2 m -96.69 10.0 39.97 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.76 1.624 . . . . 0.0 114.707 174.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.551 ' CE2' HD21 ' B' ' 32' ' ' LEU . 19.8 m-85 -110.68 -20.29 12.57 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 120.257 -1.527 . . . . 0.0 114.607 -172.221 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.43 -7.64 17.39 Favored Glycine 0 CA--C 1.54 1.63 0 N-CA-C 117.318 1.687 . . . . 0.0 117.318 170.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -151.39 -130.21 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 119.419 1.61 . . . . 0.0 111.538 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 65.5 8.25 4.93 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.043 2.137 . . . . 0.0 115.539 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 88.2 p -58.19 -16.88 15.26 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 61.5 p -129.79 158.92 72.24 Favored Pre-proline 0 N--CA 1.469 0.501 0 C-N-CA 125.022 1.329 . . . . 0.0 110.327 154.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.15 -42.77 62.95 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 122.655 2.237 . . . . 0.0 114.157 172.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -59.21 -36.86 76.15 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.351 -0.843 . . . . 0.0 111.972 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.56 -36.67 84.96 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 176.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.68 -40.17 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 120.704 1.593 . . . . 0.0 112.628 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 5.1 ttm -80.46 -17.04 52.88 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -103.13 -22.87 8.89 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.191 1.377 . . . . 0.0 115.069 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -54.15 120.33 24.54 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 125.233 1.413 . . . . 0.0 111.882 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -61.28 -29.57 86.48 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.416 2.077 . . . . 0.0 113.14 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -63.3 -38.68 92.1 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.769 1.168 . . . . 0.0 112.176 171.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 71.4 t -69.72 -34.58 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-N 119.547 1.067 . . . . 0.0 111.736 174.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -66.89 -50.11 63.47 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 120.121 1.328 . . . . 0.0 111.798 173.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.31 -49.15 78.74 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.509 1.124 . . . . 0.0 112.452 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -67.32 -33.01 74.38 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.928 -1.108 . . . . 0.0 111.94 176.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.25 -48.15 76.87 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 126.427 1.965 . . . . 0.0 113.361 168.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -56.95 -44.39 82.5 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 117.759 0.78 . . . . 0.0 111.037 169.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -61.95 -50.44 72.11 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.706 0.802 . . . . 0.0 112.786 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.09 -45.44 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-N 119.859 1.208 . . . . 0.0 112.363 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.79 -33.65 68.76 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.239 -0.913 . . . . 0.0 112.176 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.97 -34.79 77.46 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.278 1.418 . . . . 0.0 113.234 174.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.53 -51.0 71.73 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.717 1.258 . . . . 0.0 110.565 165.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -54.07 -38.86 65.75 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.959 -1.088 . . . . 0.0 113.637 173.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.3 p -65.42 -36.31 83.56 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.839 -1.163 . . . . 0.0 113.426 173.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -27.15 68.12 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.405 -0.809 . . . . 0.0 112.245 169.465 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.74 -63.16 5.53 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 166.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 mt -53.72 -33.89 57.05 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.51 -24.58 59.01 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 176.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -141.09 40.51 1.79 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.183 1.393 . . . . 0.0 113.226 -172.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 77.5 mt -55.99 -21.47 21.37 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.873 -1.142 . . . . 0.0 114.063 176.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -59.1 -38.49 79.67 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.859 1.264 . . . . 0.0 113.636 175.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -161.46 61.83 0.27 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.345 1.058 . . . . 0.0 113.217 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.49 HD23 ' H ' ' B' ' 81' ' ' LEU . 0.5 OUTLIER -61.35 -18.53 59.08 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -179.358 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -55.44 -31.06 61.6 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.77 -1.206 . . . . 0.0 113.32 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.6 -23.55 42.51 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.3 0.952 . . . . 0.0 114.639 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.88 -16.73 43.31 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 118.905 1.352 . . . . 0.0 113.62 -179.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -113.41 0.81 14.88 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 116.188 1.921 . . . . 0.0 116.188 -174.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.17 -35.41 35.9 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 121.028 1.74 . . . . 0.0 115.528 -168.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 21.6 p -66.48 -40.24 89.21 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.428 1.091 . . . . 0.0 112.994 173.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 23.1 mt -67.03 -47.8 70.28 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 123.728 0.811 . . . . 0.0 109.932 171.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 4.6 m -56.01 -40.64 73.69 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 119.26 0.936 . . . . 0.0 112.293 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -60.24 -53.15 61.16 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.76 0.824 . . . . 0.0 111.676 171.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 45.0 tp -52.78 -46.18 67.48 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 120.944 -1.098 . . . . 0.0 111.925 174.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -80.28 -13.71 58.98 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 120.871 -1.143 . . . . 0.0 113.806 -174.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 42.0 t -102.31 -75.87 0.59 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.917 0.887 . . . . 0.0 110.135 169.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -61.6 -21.76 64.62 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.979 1.712 . . . . 0.0 115.12 -171.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -111.17 -20.06 12.48 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 175.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 79.7 mt -127.79 -34.81 2.15 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -176.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 35.11 19.33 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 130.338 3.455 . . . . 0.0 119.609 -175.079 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 1.4 m -51.26 149.48 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.504 1.522 . . . . 0.0 113.581 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.97 141.5 95.54 Favored Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -45.41 -39.13 16.4 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 125.056 3.837 . . . . 0.0 116.454 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -51.7 -27.09 10.71 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.796 1.238 . . . . 0.0 114.095 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -65.07 -44.23 89.59 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 120.759 -1.213 . . . . 0.0 110.84 175.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -67.43 -43.97 79.88 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.324 1.05 . . . . 0.0 110.126 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -43.14 80.56 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.507 1.123 . . . . 0.0 112.094 173.003 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.405 ' O ' HG13 ' B' ' 109' ' ' VAL . 10.2 tt -62.59 -47.36 84.14 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.071 0.948 . . . . 0.0 111.507 173.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -41.65 69.09 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.196 0.907 . . . . 0.0 111.018 173.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.08 -48.55 78.77 Favored Glycine 0 CA--C 1.523 0.563 0 CA-C-O 118.826 -0.986 . . . . 0.0 113.91 171.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -52.55 -50.67 62.45 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.1 1.45 . . . . 0.0 111.36 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.405 HG13 ' O ' ' B' ' 105' ' ' LEU . 0.7 OUTLIER -62.28 -38.26 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 121.581 -0.699 . . . . 0.0 111.819 -179.237 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 52.1 tp -62.99 -57.56 10.31 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.543 1.137 . . . . 0.0 111.89 175.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.452 HG12 ' HB3' ' B' ' 130' ' ' TYR . 12.4 m -60.83 -32.05 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 118.876 0.762 . . . . 0.0 111.567 -175.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 69.1 m -59.71 -46.25 89.65 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 117.607 -1.187 . . . . 0.0 112.698 173.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.63 -44.21 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 CA-C-N 121.904 2.138 . . . . 0.0 113.266 -174.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.464 ' HG ' ' H ' ' B' ' 114' ' ' LEU . 0.2 OUTLIER -65.59 -36.63 84.3 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 125.084 1.353 . . . . 0.0 110.101 -176.788 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 115' ' ' ALA . . . . . 0.482 ' HB2' ' CD1' ' B' ' 122' ' ' PHE . . . -66.46 -7.07 17.16 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.462 1.653 . . . . 0.0 115.462 173.172 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 116' ' ' HIS . . . . . 0.4 ' CE1' ' CB ' ' A' ' 110' ' ' ALA . 0.8 OUTLIER -109.73 -41.56 4.5 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.667 1.122 . . . . 0.0 111.081 -176.889 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -63.58 -38.49 91.31 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.794 -0.566 . . . . 0.0 112.168 164.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -127.26 25.13 6.21 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.635 1.174 . . . . 0.0 112.768 -167.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -48.19 -35.06 13.58 Favored Glycine 0 N--CA 1.481 1.635 0 C-N-CA 125.194 1.378 . . . . 0.0 115.544 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -55.29 -34.69 64.34 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.97 1.708 . . . . 0.0 113.95 172.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -104.78 -19.91 13.77 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.412 1.885 . . . . 0.0 112.778 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 122' ' ' PHE . . . . . 0.482 ' CD1' ' HB2' ' B' ' 115' ' ' ALA . 10.9 t80 -78.47 71.71 4.95 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.786 1.635 . . . . 0.0 111.922 -178.169 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 69.7 p -61.74 161.46 21.14 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 124.747 1.219 . . . . 0.0 112.226 175.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -43.65 -50.17 7.28 Favored 'Trans proline' 0 CA--C 1.55 1.282 0 C-N-CA 123.137 2.558 . . . . 0.0 114.914 167.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -65.65 -32.99 46.66 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.048 1.832 . . . . 0.0 115.598 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 14.8 t -52.11 -44.02 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 120.473 1.488 . . . . 0.0 111.919 172.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.65 -43.1 99.49 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.179 -0.95 . . . . 0.0 112.2 177.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.12 -30.01 70.73 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.191 0.996 . . . . 0.0 113.333 175.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.7 -55.36 13.47 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.602 0.637 . . . . 0.0 110.904 172.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.452 ' HB3' HG12 ' B' ' 111' ' ' VAL . 31.5 m-85 -56.12 -44.01 78.72 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.674 -0.641 . . . . 0.0 112.373 177.132 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -55.76 -42.53 75.59 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.655 -0.653 . . . . 0.0 112.748 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -64.9 -44.22 90.3 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.614 1.097 . . . . 0.0 113.304 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 2.1 p -70.08 -38.43 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 121.364 -0.835 . . . . 0.0 112.413 175.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 89.6 t -68.68 -37.03 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 118.648 0.658 . . . . 0.0 111.963 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.18 94.75 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.237 -0.915 . . . . 0.0 111.792 169.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.79 -48.81 75.25 Favored Glycine 0 N--CA 1.471 1.005 0 O-C-N 121.801 -0.562 . . . . 0.0 112.808 169.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -45.73 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 118.095 0.948 . . . . 0.0 111.716 174.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.72 -49.53 77.12 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 122.982 0.513 . . . . 0.0 111.472 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -35.32 80.6 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.822 -0.549 . . . . 0.0 111.725 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.79 -38.7 76.75 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.453 0.57 . . . . 0.0 111.995 175.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.6 -33.41 75.59 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.911 1.232 . . . . 0.0 111.655 172.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.94 -8.9 52.62 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 170.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -51.16 -42.76 61.02 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 120.387 -1.445 . . . . 0.0 113.685 -176.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -70.7 1.4 5.38 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 . . . . . 0 CA--C 1.551 1.01 0 CA-C-N 119.908 1.231 . . . . 0.0 112.637 168.253 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.508 2.453 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 63.2 mt -147.29 179.63 7.5 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 119.911 -1.743 . . . . 0.0 112.436 -173.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -105.91 167.87 9.05 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 127.192 2.197 . . . . 0.0 109.79 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -76.63 -41.47 0.42 Allowed 'Trans proline' 0 CA--C 1.54 0.779 0 CA-C-N 121.484 1.566 . . . . 0.0 113.108 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.58 -35.6 77.59 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.03 -35.68 77.53 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.601 -0.687 . . . . 0.0 112.406 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -56.83 -49.41 75.51 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.699 1.199 . . . . 0.0 110.004 173.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 75.2 m -58.1 -49.91 75.31 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.905 0.882 . . . . 0.0 111.931 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -65.23 -39.39 92.67 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.813 0.733 . . . . 0.0 112.329 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 36.5 t -62.2 -47.56 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.287 1.035 . . . . 0.0 111.644 173.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -60.09 -45.39 93.1 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.247 0.93 . . . . 0.0 111.317 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.28 66.24 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.274 0.63 . . . . 0.0 111.214 176.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.84 -54.31 47.92 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.718 0.807 . . . . 0.0 112.242 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -62.95 -27.78 69.63 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.546 -0.721 . . . . 0.0 112.813 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.26 -44.17 98.06 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.722 1.153 . . . . 0.0 113.4 171.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -71.82 -35.56 69.97 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 118.603 1.202 . . . . 0.0 111.38 174.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 71.4 t -59.13 -44.35 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.111 0.964 . . . . 0.0 111.29 174.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.72 -136.11 5.06 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.605 1.574 . . . . 0.0 115.406 169.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.94 -22.6 60.21 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -72.26 -11.79 60.87 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.536 1.134 . . . . 0.0 113.401 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.49 -45.78 26.62 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.697 1.199 . . . . 0.0 114.2 -175.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.76 -34.39 89.8 Favored Glycine 0 N--CA 1.469 0.88 0 CA-C-O 119.661 -0.522 . . . . 0.0 113.601 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -66.96 -46.05 75.86 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.945 0.898 . . . . 0.0 110.216 174.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -65.13 -35.85 82.4 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.703 -0.623 . . . . 0.0 111.56 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.42 -48.02 73.07 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 123.939 0.78 . . . . 0.0 112.454 170.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.6 -46.72 80.71 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.411 1.106 . . . . 0.0 111.797 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.74 -38.24 90.33 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.424 -0.798 . . . . 0.0 112.186 174.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.451 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -65.64 -40.11 92.17 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.534 -0.729 . . . . 0.0 112.329 177.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.56 -42.91 98.32 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.948 1.299 . . . . 0.0 111.67 171.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.59 -45.91 88.08 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.713 0.805 . . . . 0.0 112.008 176.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -36.09 81.48 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 121.124 -0.985 . . . . 0.0 112.66 173.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -61.77 -42.44 98.99 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.224 0.92 . . . . 0.0 111.225 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -62.55 1.68 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.947 0.899 . . . . 0.0 111.343 167.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.38 -34.73 61.13 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 119.743 -0.783 . . . . 0.0 113.043 -157.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -70.42 -20.19 62.93 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.02 68.88 11.68 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.435 1.094 . . . . 0.0 110.496 -166.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.47 -21.41 23.84 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 123.855 3.037 . . . . 0.0 116.08 -174.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 5.1 p -52.21 -26.67 12.26 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.786 1.635 . . . . 0.0 114.377 166.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 82.1 p -64.12 -37.49 87.66 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 120.865 -1.147 . . . . 0.0 113.258 170.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 40' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' C' ' 40' ' ' LYS . 0.4 OUTLIER -68.26 -32.43 72.59 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -165.194 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 9.0 t -58.71 -25.66 63.13 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 175.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -67.37 -23.83 65.63 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.539 -1.35 . . . . 0.0 113.497 172.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -150.16 77.7 8.2 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 124.545 1.138 . . . . 0.0 112.513 178.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.85 -148.25 0.02 OUTLIER 'Trans proline' 0 CA--C 1.549 1.268 0 C-N-CA 123.808 3.005 . . . . 0.0 110.145 166.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.287 0.7 OUTLIER 57.5 12.46 1.51 Allowed 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.533 1.933 . . . . 0.0 116.072 -175.745 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -105.28 133.94 49.21 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.331 1.852 . . . . 0.0 110.704 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -99.85 80.31 2.31 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.467 1.507 . . . . 0.0 111.542 -177.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 47.5 mt -74.57 36.19 0.1 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.428 1.491 . . . . 0.0 114.518 -174.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -74.3 40.84 0.13 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 126.557 1.943 . . . . 0.0 113.348 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . 0.25 0.6 OUTLIER 55.54 151.42 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 130.725 3.61 . . . . 0.0 116.643 -164.917 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 46.59 37.54 8.85 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 126.075 1.798 . . . . 0.0 116.45 173.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 13.0 p -68.74 151.68 46.33 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -163.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.02 -18.7 59.17 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.573 1.149 . . . . 0.0 113.792 173.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -90.57 -45.18 9.08 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.479 1.112 . . . . 0.0 111.51 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 98.1 t -68.66 -36.41 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 O-C-N 121.188 -0.945 . . . . 0.0 111.697 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -45.76 90.3 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.675 1.125 . . . . 0.0 112.187 173.076 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.6 -51.19 37.83 Favored Glycine 0 N--CA 1.471 0.971 0 C-N-CA 124.034 0.826 . . . . 0.0 111.788 -177.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -54.33 -42.59 70.37 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.484 0.713 . . . . 0.0 111.391 171.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.17 -51.86 47.76 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 121.076 -1.015 . . . . 0.0 114.085 170.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -58.97 -37.68 77.35 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 118.856 1.328 . . . . 0.0 112.506 175.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.69 -49.56 58.02 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 118.443 -0.789 . . . . 0.0 112.605 175.219 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 84.9 t -55.04 -44.52 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 CA-C-N 119.913 1.233 . . . . 0.0 110.771 173.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.54 69.54 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 174.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -59.17 -38.76 80.54 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.134 0.879 . . . . 0.0 112.29 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.9 -37.5 87.63 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 171.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -42.9 97.24 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.484 0.584 . . . . 0.0 111.325 171.075 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 21.7 m -59.1 -44.99 92.0 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.64 1.109 . . . . 0.0 111.86 171.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -59.87 -42.93 94.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.379 1.072 . . . . 0.0 111.959 174.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.29 -50.63 72.93 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.46 -0.775 . . . . 0.0 111.56 170.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 73.6 t -55.43 -39.93 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 CA-C-N 119.489 1.04 . . . . 0.0 112.101 175.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.24 -23.48 65.71 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -144.45 41.22 1.34 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.099 1.36 . . . . 0.0 111.748 -173.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 p -64.37 -12.55 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 -161.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.4 -7.02 20.19 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 169.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -114.12 -2.74 13.37 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.258 1.823 . . . . 0.0 112.627 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 76' ' ' MET . . . . . 0.407 ' HA ' ' HB3' ' C' ' 79' ' ' ALA . 23.4 ptt? -56.21 -20.52 0.55 Allowed Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 118.099 2.629 . . . . 0.0 118.099 178.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -47.96 -37.49 29.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 CA-C-N 123.856 2.413 . . . . 0.0 113.992 165.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -88.93 -41.12 12.6 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.662 0.785 . . . . 0.0 112.486 175.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 79' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' C' ' 76' ' ' MET . . . -67.8 -11.43 58.5 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -177.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 62.8 mt -110.86 7.36 21.84 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.362 1.465 . . . . 0.0 113.223 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 69.4 m -53.33 -36.87 61.77 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.91 1.232 . . . . 0.0 114.086 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.58 -28.11 65.25 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 174.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 mt -86.39 -35.81 19.55 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.343 1.057 . . . . 0.0 111.069 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 37.8 m -63.27 -34.42 77.64 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.088 -0.958 . . . . 0.0 112.149 165.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.0 -51.22 68.9 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 120.341 1.428 . . . . 0.0 112.218 167.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 tp -49.05 -45.01 42.25 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.923 0.783 . . . . 0.0 111.854 173.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -70.41 -70.15 0.31 Allowed 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.584 -0.698 . . . . 0.0 110.823 175.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.04 -14.76 25.67 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -171.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -130.68 10.19 5.11 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.318 1.447 . . . . 0.0 113.091 -171.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -138.74 -50.76 0.55 Allowed 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 174.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.98 -12.3 2.21 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 44.38 33.86 0.95 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 128.233 2.613 . . . . 0.0 115.852 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 17.6 t -56.82 135.35 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 -165.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -45.59 121.29 5.26 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 126.062 1.745 . . . . 0.0 112.585 174.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -46.19 -18.99 0.5 Allowed 'Trans proline' 0 C--N 1.352 0.746 1 C-N-CA 125.414 4.076 . . . . 0.0 117.15 176.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 10.4 p -51.06 -39.44 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-N 120.358 1.436 . . . . 0.0 111.989 168.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -57.9 -37.52 74.17 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.751 1.621 . . . . 0.0 112.522 174.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 98' ' ' PHE . . . . . 0.433 ' C ' ' CD1' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -63.14 -52.48 62.34 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.406 172.389 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -54.16 -44.22 71.29 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 119.288 0.949 . . . . 0.0 110.765 -172.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 55.1 mt -55.06 -64.36 0.86 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.426 1.09 . . . . 0.0 110.589 173.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -35.43 73.41 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.703 0.801 . . . . 0.0 113.101 -177.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 17.9 t -60.68 -51.76 68.0 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.334 1.054 . . . . 0.0 111.913 174.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -59.71 -39.49 84.78 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.922 -0.486 . . . . 0.0 111.068 174.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 104' ' ' CYS . . . . . 0.451 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 55.9 m -59.24 -47.01 86.95 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 118.679 -0.676 . . . . 0.0 111.917 174.281 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.83 -49.78 76.09 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 123.667 0.787 . . . . 0.0 111.729 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 4.8 mt -51.2 -39.37 56.33 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.85 0.46 . . . . 0.0 111.726 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 34.9 t -68.62 -51.71 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 118.285 -0.864 . . . . 0.0 112.936 170.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 46.0 p -64.9 -36.45 84.41 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.525 1.511 . . . . 0.0 112.832 -172.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.89 -48.22 80.49 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 120.423 1.465 . . . . 0.0 109.983 170.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 110' ' ' ALA . . . . . 0.406 ' CB ' ' CE1' ' D' ' 116' ' ' HIS . . . -71.08 -20.39 62.36 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -172.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.56 -13.3 20.46 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 170.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -132.03 -13.38 3.18 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -173.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 11.0 mp -98.34 155.04 37.33 Favored Pre-proline 0 CA--C 1.556 1.176 0 C-N-CA 124.983 1.313 . . . . 0.0 110.356 175.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -57.0 -33.72 96.16 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 123.489 2.793 . . . . 0.0 115.639 -171.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.3 -46.0 0.17 Allowed 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 58.62 -9.21 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -175.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -119.32 6.62 11.17 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 1.9 p -47.26 150.07 1.63 Allowed Pre-proline 0 N--CA 1.473 0.708 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -52.22 -31.86 47.9 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 CA-C-N 120.177 1.099 . . . . 0.0 114.811 -172.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.33 -47.41 27.87 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 168.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.82 -43.24 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 120.598 -1.314 . . . . 0.0 113.398 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.71 -39.48 88.06 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 122.171 2.26 . . . . 0.0 111.646 176.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.23 -58.31 8.52 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 122.851 0.46 . . . . 0.0 110.251 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 61.2 p -62.04 -51.96 65.89 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-O 118.313 -0.851 . . . . 0.0 113.271 -177.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.66 -39.62 91.56 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.547 1.067 . . . . 0.0 112.024 -177.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.09 -50.59 61.09 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 120.07 1.305 . . . . 0.0 111.936 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -26.19 66.88 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -68.55 -51.23 45.11 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.655 1.182 . . . . 0.0 112.173 168.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -58.27 -34.05 70.08 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 120.693 -1.255 . . . . 0.0 111.919 173.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.35 -35.16 68.47 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 173.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 89.9 p -69.96 -43.27 71.89 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 119.98 -1.7 . . . . 0.0 110.858 171.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 53.4 t -53.53 -51.75 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.435 1.494 . . . . 0.0 111.063 170.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 86.2 p -64.68 -39.93 94.52 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.469 1.031 . . . . 0.0 113.055 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 4.0 m -51.91 -55.84 17.72 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 118.887 0.767 . . . . 0.0 110.253 170.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 30.6 m -69.65 -27.57 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -176.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.63 -12.33 59.96 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 119.28 0.946 . . . . 0.0 112.87 171.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 97.2 m -96.65 -28.52 14.29 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.361 1.464 . . . . 0.0 111.722 171.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 N--CA 1.473 0.676 0 C-N-CA 124.883 1.273 . . . . 0.0 112.44 170.149 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.326 2.2 p . . . . . 0 N--CA 1.513 2.715 0 CA-C-O 117.083 -1.437 . . . . 0.0 113.139 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 75.9 t60 14.08 83.96 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 128.292 2.637 . . . . 0.0 116.256 -172.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.01 161.11 8.83 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.43 0.692 . . . . 0.0 111.312 177.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 2.4 p -64.83 155.53 82.56 Favored Pre-proline 0 N--CA 1.48 1.065 0 O-C-N 121.663 -0.648 . . . . 0.0 109.575 163.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -55.83 -41.21 79.61 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 122.394 2.063 . . . . 0.0 113.781 175.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -68.18 -42.53 79.83 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.169 0.588 . . . . 0.0 111.577 177.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.41 -43.45 97.46 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.23 0.612 . . . . 0.0 111.208 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -54.78 -53.09 59.64 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.589 0.756 . . . . 0.0 111.256 172.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m -55.67 -41.83 74.23 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.179 0.9 . . . . 0.0 111.958 176.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.75 98.81 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 p -69.58 -56.64 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 120.112 1.323 . . . . 0.0 111.411 171.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -67.74 -36.18 80.09 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.221 0.919 . . . . 0.0 113.224 -168.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.74 88.68 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 120.08 1.309 . . . . 0.0 112.277 175.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 tt -72.58 -28.24 62.68 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.596 -0.69 . . . . 0.0 111.5 173.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -63.84 -41.13 97.9 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.276 -0.89 . . . . 0.0 111.339 166.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.51 -27.96 49.73 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 125.599 1.571 . . . . 0.0 115.512 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -100.25 -5.81 26.96 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.626 1.171 . . . . 0.0 113.939 174.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.16 138.5 23.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.485 1.114 . . . . 0.0 111.923 -174.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -88.9 67.25 8.17 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.15 0.98 . . . . 0.0 111.174 -175.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 48.8 t -39.74 -45.03 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -164.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -63.16 -57.3 11.01 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.043 0.937 . . . . 0.0 112.473 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -70.0 -52.3 25.35 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.101 0.96 . . . . 0.0 111.053 -175.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.07 -29.41 46.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 125.9 1.68 . . . . 0.0 112.41 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.9 -40.32 10.73 Favored Glycine 0 C--N 1.341 0.817 0 C-N-CA 124.245 0.926 . . . . 0.0 112.305 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.76 -41.31 99.02 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-N 118.306 1.053 . . . . 0.0 111.937 167.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -64.76 -41.08 96.15 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 118.0 -1.0 . . . . 0.0 112.803 171.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.46 -57.63 12.13 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 120.704 1.593 . . . . 0.0 111.415 174.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 31.1 tp -65.86 -39.7 90.98 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.414 -0.804 . . . . 0.0 112.416 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.39 -47.3 85.86 Favored Glycine 0 N--CA 1.469 0.861 0 CA-C-N 119.04 0.836 . . . . 0.0 112.409 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -52.3 -37.56 56.09 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.959 1.304 . . . . 0.0 112.897 172.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.12 -48.99 22.89 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.431 0.692 . . . . 0.0 111.035 176.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 32' ' ' LEU . . . . . 0.559 HD21 ' CE2' ' D' ' 45' ' ' PHE . 1.3 mm? -75.65 -30.93 59.61 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.236 -0.915 . . . . 0.0 112.457 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 1.1 m -70.78 -11.9 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-N 119.083 0.856 . . . . 0.0 113.228 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.82 -0.74 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 CA-C-N 120.439 1.472 . . . . 0.0 113.504 170.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 12.4 t80 45.74 47.08 3.65 Favored Pre-proline 0 CA--C 1.56 1.352 0 C-N-CA 125.652 1.581 . . . . 0.0 114.266 -166.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -81.72 170.04 14.55 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 123.129 2.553 . . . . 0.0 114.197 -171.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 4.9 p90 -57.67 -28.8 64.1 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 168.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -61.09 -21.72 63.95 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.497 1.519 . . . . 0.0 113.878 174.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -57.88 -24.16 56.37 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.605 1.093 . . . . 0.0 112.895 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.11 -33.8 8.79 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.743 1.217 . . . . 0.0 113.381 171.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -92.77 11.5 26.72 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.436 1.494 . . . . 0.0 113.67 -177.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -60.59 -15.76 31.25 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -50.59 -17.1 0.45 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 172.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 52.6 m -96.64 9.97 39.99 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.793 1.637 . . . . 0.0 114.815 174.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 45' ' ' PHE . . . . . 0.559 ' CE2' HD21 ' D' ' 32' ' ' LEU . 20.1 m-85 -110.54 -20.35 12.59 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 120.266 -1.521 . . . . 0.0 114.66 -172.286 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.47 -7.67 17.45 Favored Glycine 0 CA--C 1.54 1.646 0 N-CA-C 117.234 1.654 . . . . 0.0 117.234 170.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -151.33 -130.46 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 119.393 1.597 . . . . 0.0 111.522 -177.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 65.86 8.23 5.17 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.079 2.152 . . . . 0.0 115.449 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 88.3 p -58.17 -16.93 15.35 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 58.7 p -129.82 158.88 72.39 Favored Pre-proline 0 N--CA 1.471 0.621 0 C-N-CA 124.971 1.309 . . . . 0.0 110.324 154.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.05 -42.57 65.26 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 122.582 2.188 . . . . 0.0 114.258 172.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -59.53 -36.76 76.76 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.355 -0.84 . . . . 0.0 111.854 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.59 -36.82 85.48 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 176.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.65 -40.0 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 120.693 1.588 . . . . 0.0 112.688 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 5.1 ttm -80.5 -16.91 53.15 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -176.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -103.21 -22.91 8.82 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 125.211 1.386 . . . . 0.0 115.039 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -54.04 120.21 23.45 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.17 1.388 . . . . 0.0 111.974 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -61.23 -29.56 86.71 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.463 2.108 . . . . 0.0 113.127 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -63.29 -38.79 92.54 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.797 1.18 . . . . 0.0 112.16 171.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 70.4 t -69.63 -34.52 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 119.518 1.054 . . . . 0.0 111.753 174.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -67.04 -50.16 62.89 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 120.231 1.378 . . . . 0.0 111.717 173.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.18 -49.18 78.66 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.557 1.143 . . . . 0.0 112.519 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -67.45 -32.93 74.12 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.935 -1.103 . . . . 0.0 111.929 176.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.52 -47.94 80.19 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 126.295 1.902 . . . . 0.0 113.377 168.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -56.89 -44.46 82.35 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 117.969 0.884 . . . . 0.0 111.042 169.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -61.85 -50.41 72.36 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.746 0.818 . . . . 0.0 112.779 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 p -60.25 -45.29 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 CA-C-N 119.796 1.18 . . . . 0.0 112.35 174.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.87 -33.67 68.57 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.22 -0.925 . . . . 0.0 112.211 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.9 -34.87 78.04 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.242 1.401 . . . . 0.0 113.211 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.52 -50.98 71.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.635 1.218 . . . . 0.0 110.459 165.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -54.08 -38.94 65.87 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 120.918 -1.114 . . . . 0.0 113.633 173.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 1.3 p -65.31 -36.36 83.83 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.841 -1.162 . . . . 0.0 113.425 173.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -27.08 68.12 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.461 -0.774 . . . . 0.0 112.197 169.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.87 -63.04 5.63 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 166.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 mt -53.9 -33.78 57.58 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 176.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.49 -24.48 59.02 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 176.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -141.08 40.59 1.79 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.134 1.374 . . . . 0.0 113.263 -172.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 77.8 mt -55.92 -21.5 20.86 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 176.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -59.19 -38.62 80.3 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.875 1.27 . . . . 0.0 113.576 175.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -161.25 61.76 0.28 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.357 1.063 . . . . 0.0 113.227 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 81' ' ' LEU . . . . . 0.497 ' H ' HD23 ' D' ' 81' ' ' LEU . 0.5 OUTLIER -61.23 -18.54 58.84 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -179.351 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -55.45 -30.99 61.56 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.688 -1.257 . . . . 0.0 113.289 173.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.74 -23.63 41.67 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.299 0.952 . . . . 0.0 114.484 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.89 -16.73 43.25 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 118.993 1.396 . . . . 0.0 113.562 -178.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -113.49 1.0 14.88 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -174.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.45 -35.28 38.9 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 121.066 1.757 . . . . 0.0 115.555 -168.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 22.0 p -66.44 -40.24 89.36 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.419 1.088 . . . . 0.0 113.041 173.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 23.0 mt -67.07 -47.66 70.59 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 123.559 0.744 . . . . 0.0 110.008 171.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 4.5 m -55.97 -40.76 73.74 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.285 0.948 . . . . 0.0 112.194 177.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -60.24 -53.07 62.08 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.713 0.805 . . . . 0.0 111.593 171.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 44.9 tp -52.88 -46.16 67.79 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.118 -0.989 . . . . 0.0 111.932 174.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -80.38 -13.53 59.07 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.838 -1.164 . . . . 0.0 113.771 -174.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 42.0 t -102.38 -75.89 0.59 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.833 0.853 . . . . 0.0 110.18 169.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.5 -21.71 64.46 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.013 1.725 . . . . 0.0 115.158 -171.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -111.14 -20.22 12.43 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 175.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 80.4 mt -127.7 -34.87 2.16 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -176.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 35.32 19.09 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 130.239 3.416 . . . . 0.0 119.692 -175.159 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 1.4 m -51.34 149.44 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 125.463 1.505 . . . . 0.0 113.5 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.96 141.62 95.48 Favored Pre-proline 0 CA--C 1.555 1.146 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -45.49 -39.03 16.75 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 125.158 3.906 . . . . 0.0 116.472 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -51.76 -27.07 10.94 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 173.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -65.04 -44.33 89.42 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.855 -1.153 . . . . 0.0 110.808 175.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -67.28 -43.96 80.48 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.274 1.029 . . . . 0.0 110.151 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -43.29 80.38 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.52 1.128 . . . . 0.0 112.06 172.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 105' ' ' LEU . . . . . 0.403 ' O ' HG13 ' D' ' 109' ' ' VAL . 10.2 tt -62.57 -47.28 84.52 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.057 0.943 . . . . 0.0 111.497 173.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.31 -41.51 69.05 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.327 0.967 . . . . 0.0 111.046 173.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.33 -48.39 80.81 Favored Glycine 0 CA--C 1.523 0.578 0 CA-C-O 118.823 -0.987 . . . . 0.0 113.958 171.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -52.48 -50.76 62.06 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.041 1.421 . . . . 0.0 111.406 172.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 109' ' ' VAL . . . . . 0.403 HG13 ' O ' ' D' ' 105' ' ' LEU . 0.7 OUTLIER -62.18 -38.26 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 O-C-N 121.514 -0.741 . . . . 0.0 111.872 -179.301 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.09 -57.54 10.27 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.476 1.111 . . . . 0.0 111.797 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 111' ' ' VAL . . . . . 0.457 HG12 ' HB3' ' D' ' 130' ' ' TYR . 12.2 m -60.8 -32.01 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 119.001 0.819 . . . . 0.0 111.586 -175.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 69.2 m -59.76 -46.14 90.09 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 117.523 -1.227 . . . . 0.0 112.812 173.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.64 -44.24 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 CA-C-N 121.75 2.068 . . . . 0.0 113.294 -175.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 114' ' ' LEU . . . . . 0.432 ' H ' ' HG ' ' D' ' 114' ' ' LEU . 0.2 OUTLIER -65.63 -36.57 84.07 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 125.166 1.387 . . . . 0.0 110.034 -176.725 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 115' ' ' ALA . . . . . 0.483 ' HB2' ' CD1' ' D' ' 122' ' ' PHE . . . -66.52 -7.1 17.66 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 173.217 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 116' ' ' HIS . . . . . 0.406 ' CE1' ' CB ' ' C' ' 110' ' ' ALA . 0.8 OUTLIER -109.75 -41.74 4.45 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.621 1.1 . . . . 0.0 111.0 -176.807 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -63.6 -38.33 90.72 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.757 -0.589 . . . . 0.0 112.145 164.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -127.38 25.0 6.18 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.763 1.225 . . . . 0.0 112.872 -167.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -48.11 -35.18 13.4 Favored Glycine 0 N--CA 1.481 1.668 0 C-N-CA 125.163 1.363 . . . . 0.0 115.512 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -55.28 -34.54 64.19 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 126.011 1.724 . . . . 0.0 113.885 172.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -104.93 -20.16 13.64 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.499 1.92 . . . . 0.0 112.736 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 122' ' ' PHE . . . . . 0.483 ' CD1' ' HB2' ' D' ' 115' ' ' ALA . 11.1 t80 -78.28 71.78 4.77 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.812 1.645 . . . . 0.0 111.905 -178.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 69.4 p -61.59 161.59 19.52 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 124.747 1.219 . . . . 0.0 112.15 175.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -43.72 -50.19 7.35 Favored 'Trans proline' 0 CA--C 1.55 1.291 0 C-N-CA 123.196 2.597 . . . . 0.0 115.014 166.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -65.53 -33.13 47.32 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.965 1.777 . . . . 0.0 115.478 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 14.6 t -52.17 -43.99 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 CA-C-N 120.567 1.53 . . . . 0.0 111.864 172.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.7 -43.02 99.66 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.155 -0.965 . . . . 0.0 112.147 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.25 -30.02 70.82 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.173 0.989 . . . . 0.0 113.411 175.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.53 -55.37 13.77 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.478 0.581 . . . . 0.0 111.036 172.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 130' ' ' TYR . . . . . 0.457 ' HB3' HG12 ' D' ' 111' ' ' VAL . 31.3 m-85 -56.06 -44.07 78.55 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.665 -0.647 . . . . 0.0 112.438 177.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -55.85 -42.42 75.77 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.55 -0.718 . . . . 0.0 112.713 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -64.93 -44.02 90.84 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 119.747 1.158 . . . . 0.0 113.346 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 2.1 p -70.35 -38.4 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 O-C-N 121.228 -0.92 . . . . 0.0 112.35 175.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.84 -36.84 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.583 -0.698 . . . . 0.0 111.957 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.2 95.15 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.195 -0.941 . . . . 0.0 111.865 169.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.84 -48.76 75.84 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 121.825 -0.547 . . . . 0.0 112.759 169.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.64 -45.69 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 118.125 0.962 . . . . 0.0 111.848 174.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.75 76.3 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.129 0.572 . . . . 0.0 111.459 177.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -35.45 80.97 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.849 -0.532 . . . . 0.0 111.613 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.93 77.09 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.495 0.589 . . . . 0.0 112.042 175.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.18 -33.64 76.23 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.816 1.189 . . . . 0.0 111.793 172.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.79 -9.07 53.24 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 170.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -51.16 -42.77 61.02 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.372 -1.455 . . . . 0.0 113.759 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -70.58 1.33 5.33 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -60.11 -17.05 37.29 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 120.033 1.288 . . . . 0.0 112.631 168.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 . . . . . 0 C--O 1.254 1.323 0 C-N-CA 126.556 1.943 . . . . 0.0 112.884 174.627 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.514 2.726 0 N-CA-C 116.33 1.974 . . . . 0.0 116.33 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.531 HD13 ' CG2' ' A' ' 73' ' ' VAL . 5.1 mp -130.28 -169.51 2.15 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 121.681 2.037 . . . . 0.0 111.091 -174.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 t 150.4 -35.71 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.721 0 C-N-CA 129.994 3.318 . . . . 0.0 115.421 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -57.66 -176.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 124.466 3.444 . . . . 0.0 116.02 177.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.55 -27.45 1.13 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.531 1.532 . . . . 0.0 115.053 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -54.65 -44.14 72.99 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.822 1.249 . . . . 0.0 113.244 171.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -58.39 -50.83 72.27 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.782 0.833 . . . . 0.0 110.531 170.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.3 m -57.25 -42.34 81.34 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.816 0.846 . . . . 0.0 111.799 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.08 -41.45 77.52 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.123 0.969 . . . . 0.0 112.488 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.99 -38.28 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 119.369 0.986 . . . . 0.0 111.944 173.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -57.01 -47.71 80.22 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.532 1.133 . . . . 0.0 111.716 169.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.66 -51.5 69.67 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.281 0.632 . . . . 0.0 111.448 175.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.6 -54.4 47.47 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.974 0.51 . . . . 0.0 112.155 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -63.89 -29.4 70.59 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.153 -0.967 . . . . 0.0 112.954 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.95 -39.39 96.45 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.457 1.027 . . . . 0.0 113.21 170.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -69.08 -38.15 78.85 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 118.675 1.237 . . . . 0.0 111.605 171.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.8 t -59.28 -53.06 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.729 1.212 . . . . 0.0 111.51 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.64 -128.6 4.0 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.465 1.031 . . . . 0.0 114.442 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.42 -21.99 52.69 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -72.76 -8.27 54.63 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 175.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.469 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -49.58 -50.12 43.76 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.176 0.898 . . . . 0.0 113.244 -178.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.56 -36.56 93.31 Favored Glycine 0 N--CA 1.47 0.917 0 O-C-N 122.005 -0.435 . . . . 0.0 113.544 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.24 -49.89 73.91 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.485 1.114 . . . . 0.0 111.274 171.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -63.45 -37.55 87.71 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.433 1.015 . . . . 0.0 112.237 175.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.32 -60.09 9.39 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.302 0.953 . . . . 0.0 111.66 170.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.07 72.4 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.676 1.19 . . . . 0.0 112.247 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.72 -33.42 71.59 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.787 1.235 . . . . 0.0 113.214 174.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.75 -36.33 70.39 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.135 0.88 . . . . 0.0 111.77 174.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 mt -62.16 -49.38 76.06 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 118.654 0.661 . . . . 0.0 110.314 170.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -56.03 -54.29 46.71 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.096 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -51.46 -51.36 55.69 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 117.914 -1.041 . . . . 0.0 111.378 173.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 57.1 ttp -53.89 -44.56 70.59 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.978 0.808 . . . . 0.0 113.175 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -67.23 -25.38 66.07 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 pp -112.02 -17.93 12.74 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -175.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.7 p -82.39 -28.49 31.42 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.161 1.384 . . . . 0.0 112.993 164.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -141.57 70.7 25.89 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 124.868 1.267 . . . . 0.0 110.794 -175.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -46.81 -28.06 6.37 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 125.006 3.804 . . . . 0.0 116.491 -175.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -16.51 1.42 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.979 2.111 . . . . 0.0 114.47 171.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.3 p -79.67 -23.52 42.41 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.583 -1.323 . . . . 0.0 113.806 173.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -58.57 -32.52 69.01 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.111 1.323 . . . . 0.0 113.732 -177.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.2 t -62.77 -26.21 68.6 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -74.53 3.92 6.9 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.196 0.998 . . . . 0.0 112.714 173.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -126.46 62.71 49.24 Favored Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 127.105 2.162 . . . . 0.0 110.593 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -73.47 2.38 5.8 Favored 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 124.367 3.378 . . . . 0.0 115.663 -172.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -139.94 25.64 2.31 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.081 1.352 . . . . 0.0 113.112 -169.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.91 167.33 13.7 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.668 1.187 . . . . 0.0 113.543 -164.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -117.77 110.82 18.28 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.901 1.281 . . . . 0.0 109.573 176.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.07 3.86 18.98 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.958 1.303 . . . . 0.0 112.97 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.3 m -49.53 138.32 13.87 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.992 1.717 . . . . 0.0 112.489 175.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.45 127.38 31.79 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.732 -0.605 . . . . 0.0 111.51 -177.546 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.23 15.32 81.67 Favored Glycine 0 CA--C 1.539 1.56 0 CA-C-O 118.734 -1.037 . . . . 0.0 115.35 -176.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.6 t -48.11 121.79 4.6 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.409 1.484 . . . . 0.0 113.524 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.52 -36.55 55.68 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.902 1.281 . . . . 0.0 112.903 176.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -66.8 -38.13 85.9 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.19 0.596 . . . . 0.0 111.998 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.4 t -66.85 -40.39 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 O-C-N 121.492 -0.755 . . . . 0.0 111.066 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -59.66 -51.53 69.38 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 118.966 0.803 . . . . 0.0 110.536 172.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.27 -47.14 92.58 Favored Glycine 0 N--CA 1.471 1.024 0 C-N-CA 124.886 1.231 . . . . 0.0 113.33 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -63.85 -41.03 97.89 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.165 0.983 . . . . 0.0 111.55 172.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.4 -48.43 54.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 121.188 -0.945 . . . . 0.0 113.744 171.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -57.61 -39.83 77.74 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.006 0.922 . . . . 0.0 112.05 172.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -47.94 69.71 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 176.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 66.1 t -56.5 -44.79 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-N 120.433 1.47 . . . . 0.0 111.087 173.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.469 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -59.9 -51.5 69.44 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 175.096 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -59.71 -34.72 73.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.268 0.627 . . . . 0.0 111.641 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.72 -36.18 82.87 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.714 -1.241 . . . . 0.0 113.998 169.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.14 -40.21 94.1 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.718 1.145 . . . . 0.0 111.277 169.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 56.1 m -60.65 -43.45 97.56 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.479 1.036 . . . . 0.0 112.309 170.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -61.07 -42.69 98.98 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.808 1.643 . . . . 0.0 111.919 175.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.4 -51.85 67.73 Favored 'General case' 0 C--O 1.22 -0.449 0 O-C-N 121.152 -0.967 . . . . 0.0 111.137 168.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.6 t -54.57 -31.85 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.798 1.239 . . . . 0.0 113.386 177.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.52 -24.89 56.86 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 175.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -138.95 18.98 2.64 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.611 1.165 . . . . 0.0 113.805 -167.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.531 ' CG2' HD13 ' A' ' 2' ' ' LEU . 6.9 p -58.78 -25.62 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 O-C-N 120.302 -1.499 . . . . 0.0 114.46 -170.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -80.34 -9.35 59.74 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 121.058 -1.026 . . . . 0.0 113.119 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -135.09 21.05 3.46 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 128.183 2.593 . . . . 0.0 111.277 -175.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.8 ttm -58.96 -32.76 13.74 Favored Pre-proline 0 CA--C 1.551 0.985 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -162.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -53.49 23.85 0.02 OUTLIER 'Trans proline' 0 CA--C 1.555 1.543 1 C-N-CA 127.221 5.281 . . . . 0.0 119.031 168.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -143.86 -40.74 0.28 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 127.24 2.216 . . . . 0.0 110.835 173.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.42 -35.64 79.86 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.2 mt -92.66 6.2 48.27 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.3 m -58.07 -33.42 69.03 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.246 1.385 . . . . 0.0 114.645 -174.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.24 -33.44 73.51 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.062 -1.024 . . . . 0.0 112.66 171.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.8 mt -80.81 -39.98 25.75 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 124.399 1.08 . . . . 0.0 111.366 -178.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 94.3 p -66.65 -33.15 75.01 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 118.524 -0.75 . . . . 0.0 112.004 170.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -53.82 51.67 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.623 1.101 . . . . 0.0 111.221 168.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 31.6 tp -52.16 -64.88 0.67 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.052 0.541 . . . . 0.0 110.485 171.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.29 7.54 0.14 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 126.188 1.795 . . . . 0.0 115.32 -173.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -130.15 -34.82 1.63 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.185 1.394 . . . . 0.0 113.067 173.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -79.84 -34.69 39.2 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.696 0.798 . . . . 0.0 112.596 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -154.4 119.48 5.01 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.919 1.288 . . . . 0.0 111.181 -177.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 70.04 93.82 0.08 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.193 1.797 . . . . 0.0 110.168 -173.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.499 HH21 HG13 ' D' ' 98' ' ' VAL . 0.0 OUTLIER -62.75 -10.82 14.15 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 -172.256 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.0 t 30.66 89.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 C-N-CA 128.407 2.683 . . . . 0.0 114.292 -173.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -55.25 135.4 68.9 Favored Pre-proline 0 CA--C 1.546 0.808 0 CA-C-O 118.0 -1.0 . . . . 0.0 112.027 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -45.38 -30.49 5.62 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.607 2.871 . . . . 0.0 115.79 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.2 p -56.92 -40.5 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 120.731 -1.231 . . . . 0.0 112.773 174.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -68.92 -35.22 76.56 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 120.845 -1.16 . . . . 0.0 112.215 -175.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -46.97 64.69 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.053 0.388 . . . . 0.0 110.327 168.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -63.64 -39.1 93.5 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.137 0.575 . . . . 0.0 110.62 -174.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.0 mt -59.18 -56.19 25.31 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.571 0.748 . . . . 0.0 111.239 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -37.21 86.64 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.79 0.723 . . . . 0.0 111.54 -178.186 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.6 t -59.0 -48.46 81.51 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.71 1.204 . . . . 0.0 112.314 173.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -56.8 -44.03 81.52 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.13 -0.981 . . . . 0.0 111.709 172.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 71.9 m -63.78 -37.68 88.29 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 175.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 35.7 mt -60.92 -46.66 89.77 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.463 1.028 . . . . 0.0 111.925 172.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 75.1 mt -53.38 -47.68 69.27 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.525 1.057 . . . . 0.0 110.732 174.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.6 t -55.94 -48.12 79.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 118.735 -0.65 . . . . 0.0 112.423 174.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.5 p -68.27 -40.15 81.94 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.753 1.615 . . . . 0.0 113.284 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.0 -44.1 87.01 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.592 1.087 . . . . 0.0 110.091 175.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.83 -30.77 64.09 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 175.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.74 -7.83 23.87 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -135.3 -43.82 0.7 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.45 1.1 . . . . 0.0 113.905 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.52 166.36 42.84 Favored Pre-proline 0 CA--C 1.562 1.422 0 C-N-CA 123.587 0.755 . . . . 0.0 109.388 172.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -58.71 -136.29 0.0 OUTLIER 'Trans proline' 0 CA--C 1.551 1.361 1 C-N-CA 125.806 4.337 . . . . 0.0 115.861 174.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.43 28.02 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.156 0 O-C-N 119.214 -2.179 . . . . 0.0 114.613 172.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.21 -19.74 2.19 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 129.439 3.096 . . . . 0.0 117.147 -151.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.535 ' CE2' HG12 ' B' ' 113' ' ' VAL . 20.8 p90 -74.03 37.65 0.1 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.814 2.046 . . . . 0.0 109.476 161.208 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.01 167.7 29.35 Favored Pre-proline 0 N--CA 1.488 1.454 0 C-N-CA 126.157 1.783 . . . . 0.0 112.041 -170.332 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.94 -40.11 58.59 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.032 1.822 . . . . 0.0 114.924 174.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.69 -58.51 2.78 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.854 0.462 . . . . 0.0 109.961 174.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.66 -30.14 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 121.018 -1.051 . . . . 0.0 112.663 -168.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.62 -50.02 54.69 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 120.497 -1.377 . . . . 0.0 111.705 170.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.99 -39.86 79.29 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.982 0.81 . . . . 0.0 110.312 176.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.3 m -58.98 -60.87 3.18 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 125.58 1.552 . . . . 0.0 111.905 174.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 52.4 mt -64.85 -39.62 93.86 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 117.862 -1.066 . . . . 0.0 112.019 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -55.56 -56.5 19.58 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 120.45 1.477 . . . . 0.0 111.798 173.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -33.27 71.73 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -69.08 -50.28 49.77 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.604 1.093 . . . . 0.0 111.369 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.3 -39.58 87.44 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.122 0.873 . . . . 0.0 110.611 172.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.19 80.43 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.835 1.198 . . . . 0.0 113.179 172.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.8 p -68.59 -40.53 80.43 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.861 1.21 . . . . 0.0 112.401 171.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 78.2 t -55.39 -50.14 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.9 t -50.93 -61.92 1.92 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.333 1.053 . . . . 0.0 112.329 171.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 51.6 m -47.54 -34.86 8.14 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.0 1.32 . . . . 0.0 113.446 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 89.5 t -83.75 -45.12 18.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.545 0.738 . . . . 0.0 111.907 177.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.97 -27.92 69.18 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.285 1.034 . . . . 0.0 113.34 175.079 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 36.1 p -103.3 10.94 37.31 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 127.421 2.289 . . . . 0.0 112.551 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 40.2 t . . . . . 0 N--CA 1.477 0.924 0 C-N-CA 125.781 1.632 . . . . 0.0 113.077 -175.073 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.298 4.7 p . . . . . 0 N--CA 1.515 2.784 0 CA-C-O 116.765 -1.588 . . . . 0.0 113.726 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -1.26 88.73 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 128.587 2.755 . . . . 0.0 115.678 -169.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.33 161.64 19.19 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 122.16 -0.337 . . . . 0.0 110.866 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.04 148.79 94.54 Favored Pre-proline 0 N--CA 1.479 0.992 0 CA-C-O 118.362 -0.828 . . . . 0.0 109.069 163.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -52.7 -41.74 67.32 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 123.287 2.658 . . . . 0.0 115.598 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -69.93 -35.55 74.64 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.373 -0.83 . . . . 0.0 112.295 177.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.51 -44.77 73.96 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.56 -0.712 . . . . 0.0 111.484 172.103 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.99 -47.23 68.39 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.146 0.978 . . . . 0.0 111.161 170.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.9 t -57.52 -48.39 79.4 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.113 0.87 . . . . 0.0 111.188 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.21 -49.87 74.65 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.695 HG23 ' CE1' ' B' ' 130' ' ' TYR . 2.3 p -65.22 -52.23 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 119.792 1.178 . . . . 0.0 111.882 175.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -71.61 -35.91 70.63 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.156 0.889 . . . . 0.0 111.951 -164.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.62 94.27 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.544 0.611 . . . . 0.0 112.194 172.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 tt -73.0 -35.0 66.74 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.422 -0.799 . . . . 0.0 111.627 177.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -29.42 70.7 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.73 -1.231 . . . . 0.0 113.103 165.477 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.04 -41.18 98.65 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.37 0.986 . . . . 0.0 113.247 175.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -84.13 -18.19 37.62 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 175.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.436 HG21 HD21 ' B' ' 114' ' ' LEU . 0.3 OUTLIER -56.7 137.87 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 121.694 0.759 . . . . 0.0 112.971 -172.849 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -83.48 72.23 10.27 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.708 1.203 . . . . 0.0 110.173 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 76.2 t -41.69 -49.03 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 125.581 1.552 . . . . 0.0 115.171 -164.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.91 -49.89 74.37 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.992 1.317 . . . . 0.0 114.29 174.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -70.18 -55.13 10.11 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.152 0.581 . . . . 0.0 110.63 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.49 -37.53 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 124.638 1.175 . . . . 0.0 112.249 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.43 -42.75 26.71 Favored Glycine 0 C--N 1.339 0.711 0 C-N-CA 123.876 0.751 . . . . 0.0 111.376 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.42 -43.76 97.18 Favored Glycine 0 CA--C 1.525 0.688 0 CA-C-N 117.899 0.85 . . . . 0.0 112.561 170.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.77 -43.85 87.59 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.239 1.019 . . . . 0.0 111.81 175.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.29 -50.38 60.51 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 120.734 -1.229 . . . . 0.0 113.129 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 tp -62.02 -47.04 86.51 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.91 -45.17 81.61 Favored Glycine 0 CA--C 1.524 0.598 0 CA-C-O 118.636 -1.091 . . . . 0.0 113.515 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.433 ' HD2' ' SD ' ' B' ' 55' ' ' MET . 3.6 mpt_? -65.76 -44.37 86.09 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.448 1.624 . . . . 0.0 111.793 174.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.35 -47.73 62.67 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.261 1.391 . . . . 0.0 110.863 170.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.8 mt -61.1 2.47 0.13 Allowed 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 m -135.69 -27.97 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.528 1.531 . . . . 0.0 114.275 177.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -24.13 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 121.106 1.775 . . . . 0.0 111.319 165.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -128.58 68.28 77.88 Favored Pre-proline 0 CA--C 1.531 0.222 0 C-N-CA 124.149 0.98 . . . . 0.0 109.674 -169.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -61.59 -18.9 62.56 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.855 3.037 . . . . 0.0 114.777 -163.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -32.22 49.47 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.16 0.984 . . . . 0.0 113.287 166.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 81.2 p -59.28 -10.51 3.04 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.414 -1.429 . . . . 0.0 114.766 172.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -50.88 -34.74 29.46 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 117.433 -1.27 . . . . 0.0 113.871 172.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -38.38 64.01 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 122.101 2.228 . . . . 0.0 113.531 -173.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -72.91 -6.68 46.8 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.795 1.238 . . . . 0.0 113.423 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -16.54 13.57 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 172.5 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -50.58 -25.89 4.66 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 166.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -106.32 -28.87 10.12 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.867 1.267 . . . . 0.0 113.06 173.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -79.24 -17.09 55.43 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.64 -176.31 20.27 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.181 0.896 . . . . 0.0 112.874 -169.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 27.61 -96.75 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 128.092 2.557 . . . . 0.0 115.186 173.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 tt 53.98 -16.23 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 128.877 2.871 . . . . 0.0 117.743 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 6.0 t -59.09 -14.81 11.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.882 2.073 . . . . 0.0 115.248 -170.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 18.6 p -130.05 155.17 81.09 Favored Pre-proline 0 N--CA 1.472 0.661 0 C-N-CA 124.487 1.115 . . . . 0.0 111.658 169.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -41.81 -52.74 3.75 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 124.839 3.693 . . . . 0.0 116.039 165.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.18 -34.8 76.97 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 122.987 0.515 . . . . 0.0 112.051 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.69 -55.75 29.5 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 122.089 -0.382 . . . . 0.0 110.874 172.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.6 -30.92 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -173.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' MET . . . . . 0.433 ' SD ' ' HD2' ' B' ' 30' ' ' ARG . 2.5 tpp -76.5 -35.33 58.42 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 175.221 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.85 -35.25 54.8 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 121.694 -0.629 . . . . 0.0 113.629 176.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -52.0 116.51 8.36 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 125.218 1.407 . . . . 0.0 114.127 -168.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -64.55 -27.97 61.59 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.605 2.203 . . . . 0.0 113.155 -174.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -71.23 -31.5 67.64 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 121.083 -1.011 . . . . 0.0 112.874 174.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 97.7 t -65.25 -41.44 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 CA-C-N 118.622 0.646 . . . . 0.0 110.381 167.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -61.42 -46.25 90.9 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.939 0.791 . . . . 0.0 112.612 171.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.37 -47.51 78.99 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.566 1.146 . . . . 0.0 113.221 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -60.09 -39.18 85.25 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.126 -0.984 . . . . 0.0 110.699 169.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -47.99 -52.43 16.86 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 125.971 1.748 . . . . 0.0 114.317 167.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -55.43 -45.31 76.78 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 118.068 0.934 . . . . 0.0 111.448 173.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -63.63 -53.16 55.91 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.293 1.037 . . . . 0.0 113.364 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.59 -48.19 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-N 120.058 1.299 . . . . 0.0 111.786 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.4 tt -69.31 -39.36 78.3 Favored 'General case' 0 C--O 1.223 -0.306 0 O-C-N 121.665 -0.647 . . . . 0.0 111.4 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.3 -34.74 59.49 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.332 0.968 . . . . 0.0 112.912 176.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.19 -44.17 89.26 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.034 0.917 . . . . 0.0 112.458 168.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -58.94 -40.79 85.73 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 120.588 -1.32 . . . . 0.0 110.88 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -67.18 -42.59 83.99 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.457 1.103 . . . . 0.0 112.975 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -58.99 -36.5 75.0 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.679 0.792 . . . . 0.0 111.324 170.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.35 -58.13 16.17 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 123.866 0.746 . . . . 0.0 111.512 168.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mt -55.09 -30.49 59.8 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 118.513 1.157 . . . . 0.0 113.88 177.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.39 -23.31 40.52 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 173.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -143.53 58.35 1.38 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.432 1.893 . . . . 0.0 112.332 -173.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 90.6 mt -68.47 -7.56 33.11 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.1 -1.0 . . . . 0.0 113.288 175.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -64.8 -27.6 68.99 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -176.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.04 90.37 0.83 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.298 1.039 . . . . 0.0 112.675 170.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 mt -59.87 -40.32 88.25 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.106 -0.996 . . . . 0.0 112.76 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -57.72 -29.09 64.44 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.363 1.065 . . . . 0.0 112.665 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -92.0 -48.18 3.18 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 125.097 1.332 . . . . 0.0 113.175 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.6 t -64.97 -23.06 67.11 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 118.839 1.32 . . . . 0.0 112.621 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -110.89 16.08 21.46 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 124.759 1.224 . . . . 0.0 113.847 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.29 -44.54 72.01 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 120.957 1.708 . . . . 0.0 113.122 -177.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 17.5 p -62.94 -40.93 99.14 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.785 1.234 . . . . 0.0 112.595 173.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 21.3 mt -68.56 -39.57 80.98 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.789 -0.569 . . . . 0.0 111.51 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 8.5 t -61.36 -46.38 90.47 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 124.234 1.014 . . . . 0.0 110.946 175.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -57.9 -49.71 75.8 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.71 0.804 . . . . 0.0 112.433 171.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.4 tp -51.5 -56.61 12.42 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.936 0.894 . . . . 0.0 111.296 173.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -74.44 20.62 0.11 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.7 1.6 . . . . 0.0 113.707 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 94.2 m -136.32 -74.01 0.44 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.559 1.544 . . . . 0.0 110.702 171.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.93 -29.2 70.13 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.153 1.781 . . . . 0.0 113.551 -175.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.25 -44.39 8.35 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.678 0.791 . . . . 0.0 111.559 170.199 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.88 76.1 1.05 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.087 1.355 . . . . 0.0 113.403 -173.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -53.86 33.16 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 129.72 3.208 . . . . 0.0 115.009 163.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 98' ' ' VAL . . . . . 0.492 HG13 HH21 ' C' ' 92' ' ' ARG . 14.0 t -55.7 143.65 8.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 127.489 2.316 . . . . 0.0 111.998 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.61 126.93 1.47 Allowed Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 124.959 1.303 . . . . 0.0 113.398 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.54 -25.59 34.79 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.521 2.148 . . . . 0.0 113.91 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -59.6 -39.6 84.71 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 120.929 1.695 . . . . 0.0 111.159 177.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -57.64 -25.81 60.69 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -72.66 -45.27 59.78 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.253 0.933 . . . . 0.0 109.917 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -44.46 83.34 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.828 1.251 . . . . 0.0 110.571 172.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.25 -46.92 86.68 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.127 0.971 . . . . 0.0 111.392 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.4 tt -53.86 -45.39 70.97 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.459 1.027 . . . . 0.0 110.678 174.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -52.93 -55.15 25.1 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 123.29 0.471 . . . . 0.0 113.138 172.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -58.96 -36.26 74.52 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 89.5 t -67.25 -52.55 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 O-C-N 121.365 -0.834 . . . . 0.0 110.181 176.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 34.0 tp -55.08 -52.84 61.96 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 118.764 0.711 . . . . 0.0 111.574 -174.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 35.2 m -56.42 -34.61 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 7.8 t -69.31 -35.48 76.02 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.801 -0.562 . . . . 0.0 111.393 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 113' ' ' VAL . . . . . 0.535 HG12 ' CE2' ' A' ' 117' ' ' PHE . 0.7 OUTLIER -69.58 -36.75 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 O-C-N 121.213 -0.929 . . . . 0.0 111.793 176.002 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 114' ' ' LEU . . . . . 0.436 HD21 HG21 ' B' ' 18' ' ' VAL . 3.7 mp -67.36 -38.37 84.69 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.909 0.777 . . . . 0.0 112.324 172.096 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.55 -24.51 32.7 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 169.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -53.17 6.91 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 169.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.89 -26.49 65.14 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.976 0.807 . . . . 0.0 113.054 -174.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -133.83 23.65 3.94 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.103 1.361 . . . . 0.0 112.391 -170.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -46.24 -37.68 8.23 Favored Glycine 0 N--CA 1.476 1.331 0 C-N-CA 125.564 1.554 . . . . 0.0 116.646 -172.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -61.3 -30.59 70.58 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.288 1.435 . . . . 0.0 113.382 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -103.7 -11.51 17.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.63 1.972 . . . . 0.0 112.596 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -81.99 60.49 4.85 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.104 1.362 . . . . 0.0 112.772 -174.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 33.5 p -53.41 159.08 2.43 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 125.907 1.683 . . . . 0.0 113.353 -174.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -49.2 -50.03 13.91 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 121.896 1.731 . . . . 0.0 114.315 172.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -65.33 -23.1 59.34 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 CA-C-N 121.239 1.478 . . . . 0.0 115.168 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.14 -41.26 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 121.643 2.02 . . . . 0.0 111.796 175.335 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -58.1 -47.27 83.75 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.85 0.75 . . . . 0.0 110.644 173.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.1 -31.33 72.49 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 176.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.26 -50.64 59.68 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.481 0.712 . . . . 0.0 110.02 175.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.695 ' CE1' HG23 ' B' ' 11' ' ' VAL . 50.6 m-85 -55.96 -49.16 74.32 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 171.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -60.09 -34.15 73.08 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 118.659 -0.686 . . . . 0.0 112.599 -176.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -68.19 -38.71 82.29 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 171.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 18.8 t -64.45 -43.86 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 CA-C-N 120.097 1.317 . . . . 0.0 110.638 171.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 45.8 t -84.07 -30.39 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -167.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.14 -44.05 92.06 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.627 1.103 . . . . 0.0 110.938 163.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.82 -48.97 82.59 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 123.741 0.686 . . . . 0.0 113.234 171.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.96 -47.38 83.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.453 1.101 . . . . 0.0 111.938 175.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.4 89.11 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.083 0.856 . . . . 0.0 111.53 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -62.09 -39.06 91.17 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.849 -0.532 . . . . 0.0 112.085 175.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.44 -44.09 83.83 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.655 0.782 . . . . 0.0 112.109 173.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.52 -24.92 66.45 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.788 -1.195 . . . . 0.0 112.749 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.67 -2.51 57.62 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 169.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -57.81 -38.77 76.15 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 119.673 -1.892 . . . . 0.0 113.627 -175.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -69.21 6.06 1.08 Allowed 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 174.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 . . . . . 0 CA--C 1.558 1.288 0 CA-C-N 120.264 1.393 . . . . 0.0 112.847 171.573 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.514 2.772 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.519 HD13 ' CG2' ' C' ' 73' ' ' VAL . 5.1 mp -130.26 -169.42 2.13 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 121.659 2.027 . . . . 0.0 111.055 -174.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t 150.3 -35.77 0.0 OUTLIER Pre-proline 0 N--CA 1.496 1.852 0 C-N-CA 130.014 3.326 . . . . 0.0 115.325 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -57.62 -176.32 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 124.554 3.502 . . . . 0.0 116.009 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.39 -27.47 1.08 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -54.61 -44.09 72.79 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.675 1.19 . . . . 0.0 113.336 171.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -58.48 -50.83 72.32 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.824 0.849 . . . . 0.0 110.51 171.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 51.1 m -57.23 -42.34 81.25 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.939 0.896 . . . . 0.0 111.737 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.16 -41.43 77.26 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.13 0.972 . . . . 0.0 112.419 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 87.2 t -67.88 -38.38 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 119.447 1.021 . . . . 0.0 111.939 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -56.95 -47.71 80.05 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.631 1.173 . . . . 0.0 111.758 169.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.76 -51.32 70.49 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.321 0.648 . . . . 0.0 111.541 175.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.59 -54.56 45.73 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.085 0.554 . . . . 0.0 112.088 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -63.83 -29.25 70.46 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.353 -0.842 . . . . 0.0 113.016 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.1 -39.38 96.24 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.461 1.029 . . . . 0.0 113.303 170.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -69.09 -38.15 78.82 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 118.526 1.163 . . . . 0.0 111.567 171.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.48 -52.88 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.731 1.212 . . . . 0.0 111.555 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.62 -128.7 3.98 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.382 0.992 . . . . 0.0 114.445 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.36 -21.88 51.55 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -72.9 -8.11 54.09 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 175.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.468 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -49.73 -50.13 45.37 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.097 0.862 . . . . 0.0 113.092 -178.208 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.41 -36.68 93.48 Favored Glycine 0 N--CA 1.471 0.997 0 CA-C-N 118.221 0.464 . . . . 0.0 113.55 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.15 -49.93 73.9 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.59 1.156 . . . . 0.0 111.386 171.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -63.54 -37.3 86.79 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.407 1.003 . . . . 0.0 112.362 175.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.4 -60.14 9.31 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 124.376 0.989 . . . . 0.0 111.639 170.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.83 -49.11 71.85 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.638 1.175 . . . . 0.0 112.242 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -59.78 -33.47 71.74 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.728 1.211 . . . . 0.0 113.17 174.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.65 -36.29 70.65 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 119.067 0.849 . . . . 0.0 111.874 174.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 mt -62.31 -49.3 76.17 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.721 0.691 . . . . 0.0 110.346 170.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -56.01 -54.2 47.7 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.117 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 69.3 mtt85 -51.58 -51.38 55.96 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 117.892 -1.051 . . . . 0.0 111.272 174.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 56.9 ttp -53.8 -44.65 70.32 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.99 0.814 . . . . 0.0 113.065 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -67.27 -25.47 66.08 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 pp -111.98 -17.91 12.76 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -175.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 81.7 p -82.49 -28.48 31.14 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.15 1.38 . . . . 0.0 112.86 164.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -141.6 70.78 25.75 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 124.868 1.267 . . . . 0.0 110.832 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -46.94 -27.92 6.46 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 124.968 3.778 . . . . 0.0 116.491 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.52 -16.15 1.39 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.787 2.035 . . . . 0.0 114.527 171.167 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 50.0 p -80.07 -23.28 41.44 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 120.591 -1.318 . . . . 0.0 113.699 173.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -58.91 -32.23 69.36 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 120.087 1.312 . . . . 0.0 113.675 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 15.2 t -62.87 -26.22 68.67 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -74.65 3.88 7.12 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.222 1.009 . . . . 0.0 112.604 174.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -126.48 62.75 49.61 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 127.106 2.162 . . . . 0.0 110.613 176.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -73.6 2.41 5.84 Favored 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 124.377 3.385 . . . . 0.0 115.591 -172.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -139.91 25.67 2.31 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.936 1.295 . . . . 0.0 113.017 -169.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.91 167.27 13.78 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.671 1.189 . . . . 0.0 113.56 -164.101 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -117.63 110.74 18.27 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.073 1.349 . . . . 0.0 109.65 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -79.99 3.81 18.92 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.895 1.278 . . . . 0.0 112.97 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 28.4 m -49.64 138.33 14.28 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.883 1.673 . . . . 0.0 112.411 175.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.41 127.53 32.52 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.886 -0.509 . . . . 0.0 111.549 -177.565 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.11 15.38 81.66 Favored Glycine 0 CA--C 1.538 1.493 0 CA-C-O 118.782 -1.01 . . . . 0.0 115.426 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 23.3 t -48.15 121.76 4.59 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.484 1.513 . . . . 0.0 113.539 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.35 -36.68 54.17 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.724 1.209 . . . . 0.0 112.979 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -66.92 -38.08 85.53 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.217 0.607 . . . . 0.0 111.957 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.91 -40.21 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.258 0.623 . . . . 0.0 111.209 176.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -59.82 -51.41 69.87 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.981 0.809 . . . . 0.0 110.595 172.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.93 -47.36 91.39 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 125.004 1.287 . . . . 0.0 113.348 -177.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -64.05 -40.87 97.23 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 118.043 0.921 . . . . 0.0 111.583 172.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.41 -48.56 54.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 121.198 -0.939 . . . . 0.0 113.7 171.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -57.58 -39.63 77.18 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.97 0.908 . . . . 0.0 112.152 172.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -47.95 69.14 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 176.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 66.7 t -56.53 -44.68 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 CA-C-N 120.395 1.452 . . . . 0.0 111.179 173.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 63' ' ' ALA . . . . . 0.468 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -59.83 -51.43 69.75 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 174.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -59.97 -34.65 73.58 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.255 0.622 . . . . 0.0 111.532 178.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.03 82.36 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.795 -1.19 . . . . 0.0 114.058 169.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.24 -39.97 93.42 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.75 1.159 . . . . 0.0 111.286 169.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 55.7 m -60.64 -43.59 97.39 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.583 1.083 . . . . 0.0 112.376 170.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -60.76 -42.96 98.48 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.911 1.685 . . . . 0.0 112.031 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.28 -51.89 67.62 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 121.241 -0.912 . . . . 0.0 111.17 168.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 13.9 t -54.51 -31.76 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.786 1.234 . . . . 0.0 113.395 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.76 -24.86 56.1 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -138.9 19.0 2.65 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.702 1.201 . . . . 0.0 113.858 -168.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.519 ' CG2' HD13 ' C' ' 2' ' ' LEU . 7.1 p -58.66 -25.75 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 120.192 -1.567 . . . . 0.0 114.531 -170.625 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -80.44 -9.15 59.76 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 121.087 -1.008 . . . . 0.0 113.225 175.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -135.16 20.94 3.44 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 128.195 2.598 . . . . 0.0 111.433 -175.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 6.7 ttm -58.89 -32.7 13.6 Favored Pre-proline 0 CA--C 1.55 0.948 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 -162.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -53.6 23.62 0.02 OUTLIER 'Trans proline' 0 CA--C 1.554 1.515 1 C-N-CA 127.235 5.29 . . . . 0.0 119.014 168.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -143.75 -40.71 0.29 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 127.208 2.203 . . . . 0.0 110.821 173.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.89 80.35 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 19.1 mt -92.48 6.19 48.03 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 72.6 m -58.13 -33.27 68.99 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 120.262 1.392 . . . . 0.0 114.68 -174.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.34 -33.32 73.42 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.001 -1.062 . . . . 0.0 112.701 171.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.7 mt -80.81 -39.93 25.85 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.381 1.072 . . . . 0.0 111.386 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 93.3 p -66.81 -33.07 74.81 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 118.491 -0.766 . . . . 0.0 111.941 170.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -53.73 52.83 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.661 1.119 . . . . 0.0 111.239 168.5 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 31.4 tp -52.16 -65.02 0.63 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.144 0.578 . . . . 0.0 110.461 171.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.17 7.51 0.13 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.268 1.827 . . . . 0.0 115.329 -173.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -130.25 -34.79 1.61 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.247 1.419 . . . . 0.0 112.931 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -79.87 -34.67 39.02 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.696 0.798 . . . . 0.0 112.638 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -154.45 119.66 5.04 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.872 1.269 . . . . 0.0 111.168 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 69.87 93.95 0.08 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.152 1.781 . . . . 0.0 110.113 -173.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 92' ' ' ARG . . . . . 0.492 HH21 HG13 ' B' ' 98' ' ' VAL . 0.0 OUTLIER -62.76 -10.76 14.02 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 117.441 2.386 . . . . 0.0 117.441 -172.375 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 38.1 t 30.56 89.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 128.412 2.685 . . . . 0.0 114.266 -173.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.13 135.31 68.17 Favored Pre-proline 0 CA--C 1.546 0.793 0 CA-C-O 117.912 -1.042 . . . . 0.0 112.087 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -45.34 -30.51 5.53 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.554 2.836 . . . . 0.0 115.833 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 5.2 p -57.07 -40.4 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 120.809 -1.182 . . . . 0.0 112.659 174.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -68.86 -35.36 76.83 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 120.907 -1.121 . . . . 0.0 112.211 -175.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.84 -46.91 64.54 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 118.004 0.365 . . . . 0.0 110.32 168.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -63.78 -39.33 93.99 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.082 0.553 . . . . 0.0 110.504 -174.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 68.5 mt -58.85 -56.22 25.08 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.558 0.743 . . . . 0.0 111.324 172.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -37.15 86.39 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.416 -0.803 . . . . 0.0 111.585 -178.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 48.0 t -59.21 -48.4 81.75 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.748 1.219 . . . . 0.0 112.142 173.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -56.83 -44.08 81.71 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 121.051 -1.03 . . . . 0.0 111.615 172.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 72.3 m -63.7 -37.67 88.23 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 175.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 34.8 mt -61.16 -46.73 89.32 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.478 1.035 . . . . 0.0 111.695 172.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 74.4 mt -53.32 -47.56 69.17 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.588 1.085 . . . . 0.0 110.811 174.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 4.5 t -56.02 -48.32 78.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 118.814 -0.612 . . . . 0.0 112.435 174.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 1.4 p -67.96 -40.22 83.22 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.754 1.616 . . . . 0.0 113.351 177.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.04 -44.04 87.15 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 119.715 1.143 . . . . 0.0 110.132 175.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.66 -31.13 64.1 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 175.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.47 -8.03 23.55 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -135.27 -43.65 0.7 Allowed 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.583 1.083 . . . . 0.0 113.84 -177.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.69 166.54 41.7 Favored Pre-proline 0 CA--C 1.564 1.509 0 CA-C-O 118.654 -0.688 . . . . 0.0 109.453 172.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -58.77 -136.4 0.0 OUTLIER 'Trans proline' 0 CA--C 1.55 1.317 1 C-N-CA 125.719 4.279 . . . . 0.0 115.796 174.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.28 27.88 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.103 0 O-C-N 119.113 -2.242 . . . . 0.0 114.643 172.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.4 -19.51 2.21 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 129.323 3.049 . . . . 0.0 117.107 -151.177 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 117' ' ' PHE . . . . . 0.537 ' CE2' HG12 ' D' ' 113' ' ' VAL . 20.6 p90 -74.11 37.78 0.1 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.588 1.955 . . . . 0.0 109.621 161.04 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.12 167.65 30.05 Favored Pre-proline 0 N--CA 1.486 1.363 0 C-N-CA 126.074 1.75 . . . . 0.0 112.16 -170.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.99 -40.01 59.13 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.035 1.823 . . . . 0.0 114.94 174.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.65 -58.45 2.8 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.894 0.478 . . . . 0.0 110.055 174.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.74 -30.21 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 120.944 -1.098 . . . . 0.0 112.627 -168.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.54 -49.84 56.47 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 120.15 1.341 . . . . 0.0 111.935 170.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.12 -39.92 79.93 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.921 0.782 . . . . 0.0 110.237 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 20.1 m -58.95 -60.88 3.15 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 125.551 1.54 . . . . 0.0 111.932 174.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 52.1 mt -64.87 -39.49 93.63 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 117.926 -1.035 . . . . 0.0 112.094 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -55.52 -56.42 20.42 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 120.421 1.464 . . . . 0.0 111.89 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -33.15 71.31 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -69.1 -50.15 50.72 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.572 1.078 . . . . 0.0 111.354 176.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.43 -39.51 87.69 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.082 0.855 . . . . 0.0 110.557 172.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.11 80.6 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.927 1.239 . . . . 0.0 113.201 172.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 12.1 p -68.38 -40.83 81.27 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.875 1.216 . . . . 0.0 112.555 171.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 78.8 t -55.13 -50.45 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 171.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 47.3 t -50.65 -62.07 1.82 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.433 1.093 . . . . 0.0 112.325 171.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 51.6 m -47.37 -34.97 7.6 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.039 1.336 . . . . 0.0 113.465 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 90.6 t -83.74 -45.2 18.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 123.565 0.746 . . . . 0.0 111.825 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.96 -27.97 69.22 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 120.967 -1.083 . . . . 0.0 113.256 175.151 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 36.7 p -103.34 11.25 36.89 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 127.267 2.227 . . . . 0.0 112.507 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.478 0.96 0 C-N-CA 125.76 1.624 . . . . 0.0 113.074 -175.142 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.301 4.8 p . . . . . 0 N--CA 1.515 2.79 0 CA-C-O 116.828 -1.558 . . . . 0.0 113.741 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -1.25 88.77 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 128.505 2.722 . . . . 0.0 115.636 -170.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.38 161.87 18.85 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.873 178.347 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.0 148.81 94.67 Favored Pre-proline 0 N--CA 1.477 0.9 0 CA-C-O 118.397 -0.811 . . . . 0.0 109.065 163.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -52.61 -41.83 66.11 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.462 2.774 . . . . 0.0 115.619 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -70.02 -35.61 74.47 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.366 -0.834 . . . . 0.0 112.346 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.53 -44.43 74.61 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.592 -0.693 . . . . 0.0 111.551 172.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.99 -47.12 68.46 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.113 0.965 . . . . 0.0 111.149 170.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 25.2 t -57.82 -48.34 80.03 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.991 0.814 . . . . 0.0 111.13 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.08 -49.96 74.25 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 11' ' ' VAL . . . . . 0.689 HG23 ' CE1' ' D' ' 130' ' ' TYR . 2.3 p -65.39 -52.05 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.719 1.145 . . . . 0.0 111.761 175.353 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -71.85 -35.76 69.96 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.074 0.852 . . . . 0.0 111.83 -164.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.61 94.08 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.648 0.658 . . . . 0.0 112.199 172.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 14' ' ' LEU . . . . . 0.406 ' CD2' HD23 ' D' ' 114' ' ' LEU . 3.7 tt -72.87 -34.99 67.08 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.496 -0.753 . . . . 0.0 111.656 177.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -63.58 -29.2 70.49 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 120.563 -1.335 . . . . 0.0 112.965 165.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.44 -41.22 98.11 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.32 0.962 . . . . 0.0 113.332 175.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -83.85 -18.13 38.58 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.435 HG21 HD21 ' D' ' 114' ' ' LEU . 0.3 OUTLIER -56.81 138.02 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.706 0.765 . . . . 0.0 113.004 -172.845 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -83.65 72.25 10.33 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.69 1.196 . . . . 0.0 110.298 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 75.4 t -41.76 -48.97 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -164.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -49.67 75.02 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.952 1.301 . . . . 0.0 114.246 174.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -70.3 -55.18 9.83 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.101 0.561 . . . . 0.0 110.616 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.45 -37.39 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.607 1.163 . . . . 0.0 112.365 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.39 -42.71 27.07 Favored Glycine 0 C--N 1.339 0.729 0 C-N-CA 123.898 0.761 . . . . 0.0 111.386 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.6 -43.66 97.48 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 117.812 0.806 . . . . 0.0 112.629 170.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -43.74 87.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 118.044 0.922 . . . . 0.0 111.753 175.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.46 -50.41 59.28 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 120.636 -1.29 . . . . 0.0 112.967 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -62.19 -46.68 87.84 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 175.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.82 -45.29 80.25 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 124.562 1.077 . . . . 0.0 113.581 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 30' ' ' ARG . . . . . 0.439 ' HD2' ' SD ' ' D' ' 55' ' ' MET . 3.7 mpt_? -65.83 -44.04 86.75 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.376 1.588 . . . . 0.0 111.834 174.303 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.84 -47.48 64.38 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 120.144 1.338 . . . . 0.0 110.768 170.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.27 2.5 0.14 Allowed 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 m -135.91 -28.08 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.784 1.633 . . . . 0.0 114.113 177.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -24.01 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 CA-C-N 121.547 1.976 . . . . 0.0 111.287 165.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -128.32 68.23 76.74 Favored Pre-proline 0 CA--C 1.53 0.177 0 C-N-CA 124.11 0.964 . . . . 0.0 109.764 -169.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -61.55 -19.04 63.14 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 124.009 3.14 . . . . 0.0 114.766 -163.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -32.15 49.16 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.181 -0.95 . . . . 0.0 113.269 167.051 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 81.1 p -59.27 -10.54 3.06 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 172.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -50.94 -34.68 29.74 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 117.251 -1.357 . . . . 0.0 113.859 173.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -38.32 64.16 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 122.204 2.275 . . . . 0.0 113.465 -173.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -72.87 -6.81 47.54 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.736 1.214 . . . . 0.0 113.431 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -16.57 13.42 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 172.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -50.66 -25.63 4.49 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 166.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -106.45 -28.84 10.07 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.858 1.263 . . . . 0.0 112.997 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -79.28 -17.06 55.42 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.338 0.972 . . . . 0.0 113.613 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.65 -176.46 20.03 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.051 0.834 . . . . 0.0 112.98 -169.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 27.56 -96.7 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.975 2.51 . . . . 0.0 115.271 173.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 tt 54.06 -16.34 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 128.82 2.848 . . . . 0.0 117.692 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 6.1 t -59.09 -14.93 11.45 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.998 2.119 . . . . 0.0 115.254 -170.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 18.5 p -130.0 155.2 81.01 Favored Pre-proline 0 N--CA 1.475 0.793 0 C-N-CA 124.399 1.08 . . . . 0.0 111.664 169.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -41.78 -52.93 3.62 Favored 'Trans proline' 0 CA--C 1.535 0.535 0 C-N-CA 124.791 3.661 . . . . 0.0 116.081 165.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.92 -34.88 77.46 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.939 0.496 . . . . 0.0 112.097 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.51 -55.76 29.5 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.138 0.426 . . . . 0.0 111.007 172.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.55 -31.19 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -173.437 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 55' ' ' MET . . . . . 0.439 ' SD ' ' HD2' ' D' ' 30' ' ' ARG . 2.5 tpp -76.44 -35.11 58.68 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 175.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.02 -35.29 54.1 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-N 118.337 0.517 . . . . 0.0 113.527 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -51.84 116.49 8.18 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.149 1.38 . . . . 0.0 114.136 -168.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -64.47 -28.08 62.22 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.685 2.257 . . . . 0.0 113.217 -174.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -71.1 -31.46 67.82 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 121.181 -0.949 . . . . 0.0 113.03 174.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 97.9 t -65.32 -41.44 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 O-C-N 121.616 -0.677 . . . . 0.0 110.38 167.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 19.9 mtmm -61.32 -46.45 90.23 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 118.873 0.76 . . . . 0.0 112.561 171.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.26 -47.45 79.53 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.545 1.138 . . . . 0.0 113.274 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -60.21 -39.05 85.22 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.073 -1.017 . . . . 0.0 110.741 169.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -47.92 -52.56 16.24 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 126.011 1.767 . . . . 0.0 114.29 167.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -55.36 -45.37 76.5 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 118.022 0.911 . . . . 0.0 111.4 173.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 45.7 mttt -63.6 -53.16 55.95 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.28 1.032 . . . . 0.0 113.362 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 6.8 p -58.65 -48.26 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 120.066 1.303 . . . . 0.0 111.708 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tt -69.2 -39.5 78.61 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.71 -0.619 . . . . 0.0 111.242 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.02 -34.57 58.24 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.443 1.02 . . . . 0.0 112.909 176.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.01 88.92 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.11 0.955 . . . . 0.0 112.538 168.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 1.7 m-30 -59.05 -40.9 86.57 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.593 -1.317 . . . . 0.0 110.988 175.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m -67.6 -42.12 82.93 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.153 0.981 . . . . 0.0 112.858 175.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -58.81 -36.68 74.89 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.553 0.741 . . . . 0.0 111.513 170.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.28 -58.14 16.1 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 123.844 0.735 . . . . 0.0 111.567 168.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.7 mt -55.18 -30.42 59.85 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 118.601 1.201 . . . . 0.0 113.936 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.34 -23.27 40.69 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.104 1.361 . . . . 0.0 114.668 173.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -143.64 58.44 1.37 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.442 1.897 . . . . 0.0 112.373 -173.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 91.1 mt -68.35 -7.79 34.3 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.133 -0.979 . . . . 0.0 113.268 175.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -64.79 -27.54 68.96 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.606 1.562 . . . . 0.0 115.198 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.15 90.36 0.82 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.247 1.019 . . . . 0.0 112.707 170.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 15.9 mt -59.72 -40.5 88.23 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 121.03 -1.044 . . . . 0.0 112.711 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -57.76 -28.94 64.41 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.232 1.013 . . . . 0.0 112.632 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -92.05 -48.15 3.18 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 125.091 1.329 . . . . 0.0 113.241 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.6 t -64.93 -23.14 67.14 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 118.84 1.32 . . . . 0.0 112.663 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -110.73 15.99 21.63 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.745 1.218 . . . . 0.0 113.836 175.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.41 -44.62 72.51 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 121.072 1.76 . . . . 0.0 112.931 -177.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 17.3 p -63.03 -40.81 98.85 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.71 1.204 . . . . 0.0 112.608 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 21.0 mt -68.46 -39.49 81.42 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.721 -0.612 . . . . 0.0 111.597 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 8.5 t -61.46 -46.35 90.42 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 124.336 1.055 . . . . 0.0 110.869 175.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -58.02 -49.76 75.74 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.619 0.768 . . . . 0.0 112.36 171.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 tp -51.52 -56.43 13.43 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.291 -0.88 . . . . 0.0 111.321 173.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -74.59 20.69 0.12 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.532 1.533 . . . . 0.0 113.803 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 95.8 m -136.11 -74.23 0.44 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.722 1.609 . . . . 0.0 110.858 171.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.72 -29.11 70.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.953 1.701 . . . . 0.0 113.647 -176.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.33 -44.29 8.37 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.706 0.802 . . . . 0.0 111.534 170.265 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.98 76.1 1.05 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.02 1.328 . . . . 0.0 113.359 -173.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -53.86 33.19 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 129.666 3.186 . . . . 0.0 115.004 163.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 98' ' ' VAL . . . . . 0.499 HG13 HH21 ' A' ' 92' ' ' ARG . 14.1 t -55.57 143.6 8.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 127.558 2.343 . . . . 0.0 112.041 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.62 126.92 1.47 Allowed Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 124.998 1.319 . . . . 0.0 113.45 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.59 -25.7 34.37 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.444 2.096 . . . . 0.0 113.883 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -59.51 -39.63 84.47 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.917 1.689 . . . . 0.0 111.136 177.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -57.5 -25.89 60.48 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 176.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -72.57 -45.24 60.13 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.17 0.988 . . . . 0.0 109.86 174.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.17 -44.46 83.55 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.811 1.244 . . . . 0.0 110.572 172.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.24 -46.92 86.68 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.906 0.882 . . . . 0.0 111.485 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 3.4 tt -53.76 -45.57 70.67 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.389 0.995 . . . . 0.0 110.62 174.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -52.86 -55.3 24.19 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 123.377 0.513 . . . . 0.0 113.035 172.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -58.58 -36.45 73.99 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 177.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 88.2 t -67.32 -52.67 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 O-C-N 121.246 -0.909 . . . . 0.0 110.149 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 34.1 tp -54.99 -52.59 62.62 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 118.736 0.698 . . . . 0.0 111.536 -174.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 35.0 m -56.59 -34.68 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 176.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 7.6 t -69.21 -35.7 76.49 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.878 -0.513 . . . . 0.0 111.576 177.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 113' ' ' VAL . . . . . 0.537 HG12 ' CE2' ' C' ' 117' ' ' PHE . 0.7 OUTLIER -69.25 -36.79 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 121.161 -0.962 . . . . 0.0 111.929 175.827 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 114' ' ' LEU . . . . . 0.435 HD21 HG21 ' D' ' 18' ' ' VAL . 3.7 mp -67.37 -38.47 84.82 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.946 0.793 . . . . 0.0 112.367 171.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.53 -24.5 32.29 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 169.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -53.22 6.89 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 169.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -26.46 65.15 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.008 0.822 . . . . 0.0 113.137 -174.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -133.87 23.52 3.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.991 1.316 . . . . 0.0 112.413 -170.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -46.0 -37.69 7.74 Favored Glycine 0 N--CA 1.479 1.519 0 C-N-CA 125.536 1.541 . . . . 0.0 116.646 -172.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -61.31 -30.6 70.6 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 125.215 1.406 . . . . 0.0 113.482 175.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -103.63 -11.55 17.61 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.695 1.998 . . . . 0.0 112.607 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -81.98 60.44 4.82 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.117 1.367 . . . . 0.0 112.735 -174.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 33.9 p -53.56 159.04 2.61 Favored Pre-proline 0 N--CA 1.478 0.954 0 C-N-CA 125.954 1.702 . . . . 0.0 113.349 -174.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -48.97 -49.99 13.83 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 121.89 1.727 . . . . 0.0 114.45 172.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -65.45 -22.98 58.57 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 CA-C-N 121.393 1.533 . . . . 0.0 115.197 175.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -41.24 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 121.656 2.026 . . . . 0.0 111.864 175.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -58.37 -47.01 85.22 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 118.935 0.789 . . . . 0.0 110.637 174.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.05 72.11 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.44 -50.72 58.07 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.566 0.746 . . . . 0.0 109.999 175.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 130' ' ' TYR . . . . . 0.689 ' CE1' HG23 ' D' ' 11' ' ' VAL . 50.8 m-85 -55.69 -49.47 72.88 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 171.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -60.03 -34.09 72.9 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 118.689 -0.672 . . . . 0.0 112.642 -176.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -68.28 -38.32 81.58 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 171.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.7 -43.84 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 CA-C-N 120.009 1.277 . . . . 0.0 110.549 171.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 45.6 t -84.2 -30.16 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -167.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.98 92.57 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.702 1.137 . . . . 0.0 110.899 163.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.8 -49.05 81.78 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 123.815 0.722 . . . . 0.0 113.257 171.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.06 -47.36 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 124.4 1.08 . . . . 0.0 111.81 175.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.25 89.87 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.253 0.933 . . . . 0.0 111.7 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -62.02 -39.11 91.14 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.761 -0.587 . . . . 0.0 112.145 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.22 83.07 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.516 0.727 . . . . 0.0 112.017 174.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.4 -24.84 66.54 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.885 -1.134 . . . . 0.0 112.797 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.78 -2.45 57.7 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 169.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -57.84 -38.9 76.48 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 119.666 -1.896 . . . . 0.0 113.56 -175.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -69.14 6.12 1.04 Allowed 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 174.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -73.09 9.96 1.07 Allowed 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 120.173 1.351 . . . . 0.0 112.785 171.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.366 0 C-N-CA 127.182 2.193 . . . . 0.0 114.517 174.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.175 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.55 -163.35 1.4 Allowed 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 121.459 1.936 . . . . 0.0 113.844 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 p -97.31 168.49 10.1 Favored Pre-proline 0 N--CA 1.481 1.115 0 C-N-CA 126.161 1.784 . . . . 0.0 112.566 -173.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -66.89 -46.62 3.17 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.733 2.288 . . . . 0.0 112.771 174.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.31 -33.6 74.62 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.157 0.583 . . . . 0.0 112.564 -172.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.77 -41.07 96.16 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-O 118.44 -0.791 . . . . 0.0 112.181 179.024 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -57.85 -46.84 84.2 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.756 0.707 . . . . 0.0 110.013 175.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.9 m -54.42 -47.36 72.91 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.778 0.717 . . . . 0.0 111.516 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -71.55 -33.74 69.4 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.24 -50.17 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.654 1.181 . . . . 0.0 111.147 172.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.31 -44.58 96.97 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.604 1.162 . . . . 0.0 111.271 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.23 -51.01 71.07 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.452 0.701 . . . . 0.0 111.429 176.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.21 -55.62 32.66 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.159 0.584 . . . . 0.0 111.636 174.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -62.17 -26.55 68.4 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -175.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.44 -40.98 98.19 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.689 1.138 . . . . 0.0 113.631 171.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -70.76 -38.02 73.43 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 118.462 1.131 . . . . 0.0 111.295 171.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.5 t -57.95 -50.81 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.087 0.955 . . . . 0.0 110.767 177.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.11 -128.05 3.43 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.442 1.02 . . . . 0.0 114.39 175.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.49 -23.92 64.89 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -69.78 -10.8 59.76 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.5 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -47.78 -45.7 29.65 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.336 0.971 . . . . 0.0 112.805 178.286 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.55 -41.92 95.92 Favored Glycine 0 C--N 1.338 0.687 0 CA-C-O 119.449 -0.639 . . . . 0.0 113.684 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -65.4 -39.38 92.13 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.008 0.904 . . . . 0.0 111.094 176.038 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -64.87 -39.8 94.12 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.364 -0.835 . . . . 0.0 112.58 174.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.63 -50.99 61.48 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 119.29 0.95 . . . . 0.0 112.518 169.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.88 -51.82 59.73 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.315 1.046 . . . . 0.0 112.025 177.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' HB3' HH12 ' A' ' 31' ' ' ARG . 0.4 OUTLIER -66.03 -36.12 82.41 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.812 0.845 . . . . 0.0 112.96 176.657 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.99 -41.07 97.63 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.69 1.132 . . . . 0.0 112.106 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.76 -48.85 67.81 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.327 1.051 . . . . 0.0 111.595 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -62.46 -39.97 95.1 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.243 0.544 . . . . 0.0 110.742 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.417 HH12 ' HB3' ' A' ' 27' ' ' GLU . 34.2 ttm105 -64.07 -44.5 92.2 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.009 0.924 . . . . 0.0 112.053 173.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 46.2 ttp -55.44 -47.14 76.48 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.338 0.972 . . . . 0.0 111.638 171.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -53.0 -53.84 44.04 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.915 0.78 . . . . 0.0 112.291 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.1 mt -67.98 -39.57 83.27 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 120.497 0.189 . . . . 0.0 111.256 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -76.85 -30.75 56.43 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.763 1.225 . . . . 0.0 113.034 -174.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.11 78.19 65.5 Favored Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 126.184 1.794 . . . . 0.0 109.415 177.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -46.78 -31.33 10.55 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 123.992 3.128 . . . . 0.0 114.637 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.9 -38.78 7.85 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.203 1.801 . . . . 0.0 113.737 172.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 t -57.97 -32.44 67.86 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 119.378 0.99 . . . . 0.0 113.333 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -54.7 -30.63 56.37 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.811 1.244 . . . . 0.0 112.19 176.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.41 HG21 ' CB ' ' D' ' 97' ' ' HIS . 1.9 t -59.68 -20.47 56.46 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -60.65 -18.82 55.91 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.376 0.989 . . . . 0.0 111.939 174.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 34.09 55.44 1.68 Allowed Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 126.668 1.987 . . . . 0.0 111.86 -175.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -74.46 1.65 7.18 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 123.088 2.525 . . . . 0.0 114.323 -165.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.269 0.3 OUTLIER 105.07 -1.38 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.36 1 C-N-CA 132.271 4.229 . . . . 0.0 112.838 179.914 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.43 163.66 22.78 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -128.16 134.26 49.05 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.821 2.048 . . . . 0.0 108.431 168.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.6 mt -116.14 37.43 3.69 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.371 1.468 . . . . 0.0 110.343 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.2 p -66.02 16.57 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 129.142 2.977 . . . . 0.0 116.107 -176.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 68.47 128.51 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 128.973 2.909 . . . . 0.0 113.617 -174.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.85 25.75 69.45 Favored Glycine 0 CA--C 1.54 1.648 0 O-C-N 121.338 -0.851 . . . . 0.0 114.681 -175.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -52.49 131.16 33.46 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.674 1.59 . . . . 0.0 114.231 -171.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.94 -22.86 64.82 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.974 1.31 . . . . 0.0 113.577 172.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -85.75 -39.49 17.11 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.374 0.669 . . . . 0.0 111.448 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.94 -38.03 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.149 -0.969 . . . . 0.0 112.042 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -64.04 -38.85 92.59 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 119.598 1.09 . . . . 0.0 113.622 173.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.71 -47.26 41.62 Favored Glycine 0 N--CA 1.473 1.131 0 C-N-CA 123.973 0.797 . . . . 0.0 111.861 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -60.98 -41.68 96.9 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 122.049 -0.677 . . . . 0.0 112.318 173.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.72 -50.58 48.83 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 121.387 -0.821 . . . . 0.0 112.653 170.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -56.08 -42.85 77.35 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 118.247 1.024 . . . . 0.0 113.507 171.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.66 -53.04 60.49 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.308 -0.87 . . . . 0.0 112.57 174.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.8 t -54.37 -43.72 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 119.244 0.929 . . . . 0.0 110.782 175.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.5 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -59.41 -50.18 74.93 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.807 1.039 . . . . 0.0 113.807 174.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.49 -38.0 82.89 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.753 1.161 . . . . 0.0 112.379 176.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.49 -35.31 80.52 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.376 -0.827 . . . . 0.0 113.172 170.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.73 -42.81 90.58 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.46 -0.775 . . . . 0.0 111.452 170.253 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 49.1 m -58.0 -43.68 86.76 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.885 1.22 . . . . 0.0 111.981 171.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -55.64 -49.01 74.02 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.334 1.054 . . . . 0.0 110.664 171.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.402 ' HB1' HG22 ' A' ' 132' ' ' VAL . . . -60.47 -39.02 86.1 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 175.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.23 -45.37 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 119.928 1.24 . . . . 0.0 111.189 173.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.23 -24.5 67.36 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.142 1.377 . . . . 0.0 113.478 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -132.86 35.16 3.57 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.282 1.433 . . . . 0.0 111.359 -171.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.22 -13.39 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -165.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -120.42 8.36 10.77 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.171 1.388 . . . . 0.0 113.87 169.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -129.41 -2.02 4.96 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.97 2.108 . . . . 0.0 112.524 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.465 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 24.4 ptt? -68.94 -13.06 0.24 Allowed Pre-proline 0 CA--C 1.544 0.744 0 N-CA-C 118.165 2.654 . . . . 0.0 118.165 176.159 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.441 ' HA ' HG13 ' A' ' 135' ' ' VAL . 36.8 Cg_exo -42.94 -26.59 0.73 Allowed 'Trans proline' 0 C--N 1.362 1.278 0 C-N-CA 124.087 3.191 . . . . 0.0 117.42 176.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.3 p30 -119.66 -12.56 9.25 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 169.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.465 ' HB3' ' HA ' ' A' ' 76' ' ' MET . . . -72.16 -14.77 61.9 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.525 -1.359 . . . . 0.0 114.188 177.049 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 69.1 mt -107.85 7.57 28.22 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.815 1.246 . . . . 0.0 112.714 173.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.3 m -56.57 -39.43 73.46 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.024 1.283 . . . . 0.0 114.248 -175.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.13 -28.53 66.63 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.83 0.741 . . . . 0.0 112.92 174.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.21 -42.78 14.38 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.345 1.058 . . . . 0.0 110.435 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.6 t -53.97 -46.47 71.65 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.704 0.402 . . . . 0.0 111.332 169.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -53.96 -52.0 62.09 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.482 1.113 . . . . 0.0 112.094 170.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.1 tp -58.17 -25.28 61.33 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 177.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -95.65 -29.11 14.48 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.993 0.917 . . . . 0.0 112.877 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.91 -36.41 8.65 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.963 1.305 . . . . 0.0 113.621 -174.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -103.35 -10.04 18.97 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.878 1.671 . . . . 0.0 112.648 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -132.34 155.6 48.1 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 127.458 2.303 . . . . 0.0 108.989 171.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 mt 58.32 -20.35 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 128.194 2.598 . . . . 0.0 117.604 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.5 mmt-85 52.1 44.72 29.36 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 128.874 2.87 . . . . 0.0 111.825 -172.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 71.3 t -57.94 107.01 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.5 1.52 . . . . 0.0 109.784 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.66 139.26 37.88 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-O 119.04 -0.505 . . . . 0.0 110.889 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -44.9 -31.77 5.65 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 124.557 3.505 . . . . 0.0 116.896 -176.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.0 p -50.03 -41.7 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 120.357 1.435 . . . . 0.0 112.56 175.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -63.58 -31.4 72.55 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 121.128 -0.982 . . . . 0.0 112.191 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -49.64 77.1 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 119.339 0.972 . . . . 0.0 109.276 171.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -57.29 -43.66 83.36 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.89 0.852 . . . . 0.0 110.133 -177.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.25 -49.64 77.07 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.28 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -38.2 72.94 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.242 -0.911 . . . . 0.0 112.402 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 95.0 p -67.93 -42.31 81.23 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.926 1.239 . . . . 0.0 112.138 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -61.06 -40.79 95.01 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.522 -0.736 . . . . 0.0 110.438 169.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 92.6 m -67.44 -20.99 65.57 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 173.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 34.3 mt -76.21 -50.62 13.99 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.939 1.245 . . . . 0.0 111.273 167.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.1 mt -48.67 -44.52 37.83 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.781 0.719 . . . . 0.0 111.184 174.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.2 t -49.42 -53.09 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.527 1.531 . . . . 0.0 114.173 167.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.08 -36.75 77.95 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 120.194 1.361 . . . . 0.0 113.012 -179.08 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.1 mt -61.89 -46.89 87.4 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 118.779 0.718 . . . . 0.0 109.183 173.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.87 -31.26 68.4 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 176.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.75 -9.65 55.32 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -129.26 -31.99 2.04 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -174.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.86 149.99 39.95 Favored Pre-proline 0 CA--C 1.556 1.208 0 CA-C-N 119.066 0.848 . . . . 0.0 110.997 -176.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -45.33 -51.5 7.78 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 125.103 3.868 . . . . 0.0 117.325 -163.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -148.84 39.2 0.85 Allowed 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 125.176 1.39 . . . . 0.0 110.374 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -38.92 -38.26 0.42 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.239 2.216 . . . . 0.0 115.53 -168.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.21 8.62 0.06 Allowed 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 174.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.97 157.27 2.18 Favored Pre-proline 0 N--CA 1.485 1.309 0 CA-C-N 120.576 1.534 . . . . 0.0 112.244 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -49.3 -57.0 2.62 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.05 1.833 . . . . 0.0 114.367 166.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.48 -33.79 76.77 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -176.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.5 t -89.56 -46.61 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 O-C-N 121.197 -0.939 . . . . 0.0 110.811 -174.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -67.19 -41.92 85.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 117.723 -1.132 . . . . 0.0 112.874 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.03 -56.73 18.22 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 119.85 1.204 . . . . 0.0 110.007 173.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.8 m -55.05 -41.68 71.76 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.522 1.129 . . . . 0.0 113.676 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.6 mt -73.75 -41.61 62.24 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 119.087 0.858 . . . . 0.0 113.179 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -62.25 -49.89 73.9 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.866 1.212 . . . . 0.0 110.888 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -31.68 72.93 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 174.195 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -62.06 -55.65 26.94 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 117.876 -1.059 . . . . 0.0 111.606 169.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 32.4 mt -60.55 -31.5 70.6 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.828 1.195 . . . . 0.0 112.038 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.23 86.87 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 168.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.4 t -69.12 -43.31 74.67 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.045 -1.66 . . . . 0.0 112.337 169.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.402 HG22 ' HB1' ' A' ' 69' ' ' ALA . 59.2 t -51.4 -51.22 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 173.01 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.4 p -63.18 -51.98 64.23 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 116.697 -1.621 . . . . 0.0 112.733 178.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 21.7 m -48.46 -35.65 13.4 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 121.016 1.735 . . . . 0.0 112.194 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.441 HG13 ' HA ' ' A' ' 77' ' ' PRO . 66.8 t -77.37 -47.58 26.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 123.5 0.72 . . . . 0.0 112.179 173.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -8.28 5.47 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.494 1.518 . . . . 0.0 114.293 172.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 34.6 p -126.8 17.16 7.41 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.789 2.436 . . . . 0.0 111.263 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 126.837 2.055 . . . . 0.0 112.934 169.743 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.332 3.2 p . . . . . 0 N--CA 1.515 2.81 0 CA-C-O 116.794 -1.574 . . . . 0.0 113.126 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 20.03 77.22 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 127.877 2.471 . . . . 0.0 115.434 -174.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.66 157.53 26.97 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.154 0.582 . . . . 0.0 110.506 -179.055 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.53 150.59 89.83 Favored Pre-proline 0 N--CA 1.482 1.148 0 CA-C-O 118.146 -0.93 . . . . 0.0 109.108 169.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -53.76 -39.36 84.09 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.526 2.151 . . . . 0.0 114.625 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.05 -46.1 79.03 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.418 0.687 . . . . 0.0 111.831 174.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.46 -43.9 79.93 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.527 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -52.62 -53.69 43.44 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.077 1.351 . . . . 0.0 110.756 168.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t -54.3 -45.71 72.61 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.553 0.615 . . . . 0.0 111.18 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.39 -55.54 33.43 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 174.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.433 HG23 ' CZ ' ' B' ' 130' ' ' TYR . 3.3 p -60.35 -56.07 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.565 1.075 . . . . 0.0 111.269 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -66.92 -35.37 79.84 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.76 0.709 . . . . 0.0 112.745 -172.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.18 -37.85 86.61 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 120.008 1.276 . . . . 0.0 112.272 175.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -66.7 -35.59 80.49 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.434 -0.791 . . . . 0.0 110.944 171.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -31.64 72.87 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 168.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.97 -42.64 99.63 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.57 1.081 . . . . 0.0 113.58 177.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -82.73 -20.0 36.84 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.26 139.81 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.25 1.02 . . . . 0.0 113.261 -170.028 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.72 92.79 9.34 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 171.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 74.4 t -56.22 -31.94 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.68 0.792 . . . . 0.0 113.066 -172.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -72.23 -48.81 40.01 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.023 1.329 . . . . 0.0 113.57 174.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -82.52 -45.35 14.79 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.253 -0.904 . . . . 0.0 111.71 -175.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -30.34 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 119.062 0.846 . . . . 0.0 111.298 172.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.46 -44.44 27.23 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 119.092 0.86 . . . . 0.0 111.732 177.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.98 -45.65 94.87 Favored Glycine 0 C--N 1.337 0.618 0 CA-C-N 117.834 0.817 . . . . 0.0 112.112 170.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -66.43 -33.35 75.51 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.531 -0.982 . . . . 0.0 112.977 173.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.73 -57.27 7.44 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 121.206 1.821 . . . . 0.0 111.471 174.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 tp -68.06 -33.5 74.67 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 118.998 -0.525 . . . . 0.0 111.186 -176.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.557 ' O ' HG13 ' B' ' 33' ' ' VAL . . . -59.01 -55.34 31.43 Favored Glycine 0 CA--C 1.525 0.676 0 CA-C-O 118.428 -1.207 . . . . 0.0 112.011 164.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -37.71 8.51 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 119.455 1.628 . . . . 0.0 110.909 177.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.468 ' HA ' HG21 ' B' ' 109' ' ' VAL . 36.9 tp -47.88 -50.76 25.53 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.583 1.083 . . . . 0.0 111.424 175.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.572 HD21 ' CE2' ' B' ' 45' ' ' PHE . 0.3 OUTLIER -96.51 -22.44 17.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 118.015 -0.993 . . . . 0.0 112.95 -173.702 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.557 HG13 ' O ' ' B' ' 29' ' ' GLY . 3.7 m -56.09 -29.48 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 CA-C-N 119.75 1.159 . . . . 0.0 112.096 -177.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.04 -2.97 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.823 1.649 . . . . 0.0 114.228 177.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 52.01 39.02 0.57 Allowed Pre-proline 0 CA--C 1.56 1.349 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -167.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -79.45 174.19 12.2 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.7 2.267 . . . . 0.0 112.149 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 12.1 p90 -55.36 -35.28 65.08 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.838 1.255 . . . . 0.0 113.773 170.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.43 -22.1 11.62 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.799 1.24 . . . . 0.0 114.148 170.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -56.77 -26.67 58.14 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.818 1.19 . . . . 0.0 113.055 172.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -54.83 -27.73 44.37 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.775 1.625 . . . . 0.0 113.174 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -86.94 7.97 25.17 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -52.15 -25.96 10.26 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 -177.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.39 -23.43 49.19 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.151 1.78 . . . . 0.0 113.614 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.7 p -60.55 -43.13 97.58 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.71 0.804 . . . . 0.0 112.125 170.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.572 ' CE2' HD21 ' B' ' 32' ' ' LEU . 10.0 m-85 -74.64 -5.21 41.77 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.575 1.55 . . . . 0.0 113.967 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.18 22.24 49.28 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.552 1.549 . . . . 0.0 115.381 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -159.07 -125.52 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.532 1.133 . . . . 0.0 110.603 -163.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.7 tt 61.93 -6.41 0.13 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 128.308 2.643 . . . . 0.0 115.402 -174.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 3.1 m -46.26 -28.86 1.4 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.93 2.092 . . . . 0.0 116.102 -173.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 7.4 p -141.38 160.99 55.09 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.843 1.657 . . . . 0.0 111.736 168.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -58.79 -42.05 56.98 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.672 2.915 . . . . 0.0 114.931 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -65.38 -35.36 80.71 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.513 -0.742 . . . . 0.0 111.861 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.29 -49.5 73.77 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 118.699 -0.667 . . . . 0.0 112.105 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -59.41 -34.63 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-N 119.9 1.227 . . . . 0.0 113.481 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 32.3 ttm -82.28 -22.17 35.85 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.06 -19.59 23.46 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.7 1.143 . . . . 0.0 114.872 177.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -56.81 120.84 40.78 Favored Pre-proline 0 CA--C 1.545 0.752 0 C-N-CA 125.58 1.552 . . . . 0.0 113.248 -173.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -57.76 -31.09 91.29 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.64 2.227 . . . . 0.0 113.274 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -67.57 -38.0 83.44 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.578 1.081 . . . . 0.0 112.786 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.54 -37.73 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.377 170.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -64.26 -49.65 71.03 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 120.153 1.342 . . . . 0.0 112.081 173.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.94 -48.96 74.48 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.419 1.087 . . . . 0.0 112.733 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -36.13 82.55 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.873 -1.142 . . . . 0.0 111.006 172.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.23 -49.37 50.71 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 126.67 2.081 . . . . 0.0 113.523 168.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -58.12 -40.16 80.54 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.895 0.878 . . . . 0.0 112.062 172.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -66.24 -55.52 15.76 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.738 0.815 . . . . 0.0 112.473 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.81 -41.53 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 119.091 0.859 . . . . 0.0 112.226 176.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.6 tt -75.99 -40.06 54.57 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -53.09 -38.94 56.93 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.392 0.996 . . . . 0.0 112.32 173.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.22 74.63 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 117.487 0.643 . . . . 0.0 112.372 169.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.433 ' CE2' HD22 ' B' ' 110' ' ' LEU . 10.4 m-85 -55.3 -40.38 71.02 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 120.179 -1.576 . . . . 0.0 113.181 173.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 14.4 m -64.61 -44.52 90.3 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.202 1.001 . . . . 0.0 113.142 173.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -57.7 -32.2 67.13 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.538 0.735 . . . . 0.0 111.934 171.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.28 -62.24 6.24 Favored Glycine 0 C--N 1.34 0.79 0 C-N-CA 124.107 0.86 . . . . 0.0 111.405 168.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 9.3 mt -54.21 -30.38 49.71 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.47 1.135 . . . . 0.0 113.698 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.06 -15.66 58.72 Favored 'General case' 0 CA--C 1.555 1.147 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 173.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -150.3 42.63 0.84 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.033 1.333 . . . . 0.0 113.326 -170.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.76 -14.99 57.42 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 120.165 -1.584 . . . . 0.0 114.71 -177.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -48.4 -42.0 30.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.946 1.299 . . . . 0.0 113.07 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -154.23 115.12 4.02 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.18 1.392 . . . . 0.0 109.826 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 66.6 mt -87.78 -33.11 18.76 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.207 0.603 . . . . 0.0 112.16 174.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -65.17 -15.58 62.58 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 120.423 -1.423 . . . . 0.0 113.251 -175.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.83 -46.91 2.8 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.402 1.477 . . . . 0.0 113.76 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.6 p -72.25 -24.39 61.36 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 118.871 1.336 . . . . 0.0 113.801 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -105.69 6.78 32.23 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.877 0.871 . . . . 0.0 112.882 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.72 80.0 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 120.665 1.575 . . . . 0.0 114.304 -176.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 16.5 p -65.33 -36.73 84.92 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.234 -0.917 . . . . 0.0 111.96 172.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 21.3 mt -74.99 -34.98 62.05 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 118.071 -0.966 . . . . 0.0 112.697 177.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 55.1 p -70.45 -36.11 73.74 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 120.456 1.48 . . . . 0.0 111.366 175.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.1 -53.37 59.17 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.861 0.865 . . . . 0.0 112.145 165.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 48.8 tp -52.99 -51.81 60.41 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.445 -0.784 . . . . 0.0 111.152 175.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -78.58 19.45 0.49 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.283 1.433 . . . . 0.0 114.074 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 52.7 t -136.43 -88.51 0.3 Allowed 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 174.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.66 -21.57 1.08 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.256 2.222 . . . . 0.0 116.341 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.65 -35.92 5.63 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.602 1.161 . . . . 0.0 113.223 169.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 4.2 mt -139.97 52.73 1.68 Allowed 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 125.936 1.694 . . . . 0.0 112.558 -168.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' HIS . . . . . 0.414 ' HB2' HG21 ' C' ' 41' ' ' THR . 15.3 m80 -58.33 29.38 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.673 0 C-N-CA 127.349 2.26 . . . . 0.0 114.935 172.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 8.6 p -46.25 142.5 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 O-C-N 118.945 -2.347 . . . . 0.0 111.005 173.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 8.7 p-10 -59.03 129.96 86.32 Favored Pre-proline 0 CA--C 1.551 1.016 0 O-C-N 120.816 -1.177 . . . . 0.0 111.991 -172.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 100' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 99' ' ' ASP . 94.5 Cg_exo -51.19 -28.09 24.69 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 124.019 3.146 . . . . 0.0 116.75 -169.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.5 -30.08 39.53 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.058 -1.026 . . . . 0.0 113.102 171.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -63.89 -39.96 95.41 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.037 -1.039 . . . . 0.0 111.275 175.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -62.35 -47.37 84.5 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.499 1.045 . . . . 0.0 111.193 173.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -57.02 -43.7 82.11 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.221 1.009 . . . . 0.0 112.164 174.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mp -59.51 -52.02 67.34 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.811 0.844 . . . . 0.0 111.612 172.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.82 -33.68 68.85 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.393 0.997 . . . . 0.0 111.817 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 107' ' ' GLY . . . . . 0.467 ' HA2' HG11 ' B' ' 134' ' ' VAL . . . -66.47 -47.91 66.74 Favored Glycine 0 CA--C 1.524 0.622 0 O-C-N 120.959 -1.088 . . . . 0.0 114.647 173.348 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.27 -33.83 76.35 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.867 1.318 . . . . 0.0 111.965 173.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.468 HG21 ' HA ' ' B' ' 31' ' ' LEU . 3.0 t -62.49 -47.47 92.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 125.56 1.544 . . . . 0.0 112.395 175.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.433 HD22 ' CE2' ' B' ' 71' ' ' PHE . 21.4 tp -52.66 -56.81 12.79 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 124.103 0.877 . . . . 0.0 110.324 176.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 19.2 m -55.99 -44.37 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 118.326 0.512 . . . . 0.0 111.897 -174.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 50.5 t -60.42 -44.46 95.73 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.03 -1.044 . . . . 0.0 113.452 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.86 -34.67 63.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 120.528 1.513 . . . . 0.0 111.539 175.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 mt -65.07 -39.81 93.77 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 120.103 1.32 . . . . 0.0 110.299 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.28 77.77 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 174.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -61.84 -61.16 2.69 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.473 0.579 . . . . 0.0 110.46 168.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -72.98 -20.53 61.01 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -166.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -129.85 39.58 3.68 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.081 1.752 . . . . 0.0 111.588 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.81 -20.41 8.04 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 125.185 1.374 . . . . 0.0 116.203 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.44 -25.35 64.97 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 168.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -135.13 11.29 3.57 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.862 1.265 . . . . 0.0 114.096 -173.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.07 29.85 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 128.278 2.631 . . . . 0.0 117.194 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 30.1 p -46.15 148.62 1.47 Allowed Pre-proline 0 N--CA 1.483 1.219 0 C-N-CA 125.265 1.426 . . . . 0.0 113.879 -165.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -45.35 -44.97 15.91 Favored 'Trans proline' 0 CA--C 1.544 0.992 0 C-N-CA 122.304 2.003 . . . . 0.0 114.533 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -64.11 -38.47 36.45 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.02 1.814 . . . . 0.0 114.605 172.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -44.37 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 121.369 1.895 . . . . 0.0 111.846 -177.156 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -66.52 -41.95 88.01 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.92 -0.488 . . . . 0.0 110.773 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.81 97.64 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.724 0.81 . . . . 0.0 113.148 172.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.51 -49.85 75.92 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.23 1.012 . . . . 0.0 110.561 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.433 ' CZ ' HG23 ' B' ' 11' ' ' VAL . 34.1 m-85 -51.07 -49.66 60.19 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.824 -0.547 . . . . 0.0 112.184 167.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -34.44 74.89 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 117.657 -1.163 . . . . 0.0 113.21 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -68.16 -41.92 80.85 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 121.826 2.103 . . . . 0.0 113.643 176.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 2.2 p -63.49 -44.97 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 CA-C-N 120.239 1.382 . . . . 0.0 110.75 171.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.467 HG11 ' HA2' ' B' ' 107' ' ' GLY . 69.8 t -69.1 -31.65 51.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -177.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.38 84.68 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 120.393 1.451 . . . . 0.0 111.055 172.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.67 -43.15 94.51 Favored Glycine 0 C--N 1.342 0.875 0 N-CA-C 112.187 -0.365 . . . . 0.0 112.187 169.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.82 -43.35 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.125 0.97 . . . . 0.0 113.286 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.75 -43.44 96.44 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.836 0.744 . . . . 0.0 110.418 176.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -66.3 -32.11 73.32 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.166 0.586 . . . . 0.0 112.405 173.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.84 -44.35 85.78 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 120.422 -1.424 . . . . 0.0 111.84 171.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 6.9 mt -65.77 -41.77 91.63 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.16 -0.963 . . . . 0.0 112.0 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.76 -13.63 62.52 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 172.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -54.14 -42.61 69.74 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.241 1.382 . . . . 0.0 112.271 -174.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -61.16 -15.05 29.59 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.8 1.64 . . . . 0.0 114.511 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 CA--C 1.548 0.877 0 C-N-CA 124.603 1.161 . . . . 0.0 111.723 177.285 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.24 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.52 -163.39 1.4 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 119.521 -1.987 . . . . 0.0 113.975 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.6 p -97.27 168.56 10.0 Favored Pre-proline 0 N--CA 1.48 1.061 0 C-N-CA 126.192 1.797 . . . . 0.0 112.585 -173.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -66.99 -46.71 2.94 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.805 2.337 . . . . 0.0 112.749 174.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.29 -33.44 74.35 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.168 0.587 . . . . 0.0 112.576 -172.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -41.0 95.92 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.192 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -57.74 -46.95 83.77 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.751 0.705 . . . . 0.0 110.03 175.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 88.3 m -54.37 -47.33 72.76 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.671 0.669 . . . . 0.0 111.624 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -71.47 -34.02 69.83 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.552 -0.717 . . . . 0.0 112.767 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.08 -50.11 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.61 1.164 . . . . 0.0 111.239 172.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.35 -44.58 96.93 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.57 1.148 . . . . 0.0 111.284 175.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.35 -50.82 71.75 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.403 0.681 . . . . 0.0 111.492 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.15 -55.75 30.88 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.121 0.569 . . . . 0.0 111.707 173.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -61.98 -26.6 68.31 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -175.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.49 -40.99 98.14 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.696 1.141 . . . . 0.0 113.587 171.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -70.83 -38.04 73.23 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 118.456 1.128 . . . . 0.0 111.287 171.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 74.2 t -57.76 -50.86 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.08 0.952 . . . . 0.0 110.885 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.02 -128.06 3.34 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.46 1.029 . . . . 0.0 114.37 175.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.42 -23.95 64.79 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -69.82 -10.82 59.85 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.035 0.934 . . . . 0.0 113.48 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.496 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -47.79 -45.64 29.64 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.378 0.99 . . . . 0.0 112.889 178.315 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.61 -41.89 95.8 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-O 119.435 -0.647 . . . . 0.0 113.64 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -65.46 -39.28 91.82 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 117.984 0.892 . . . . 0.0 111.199 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -64.77 -39.98 94.51 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.346 -0.846 . . . . 0.0 112.587 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.47 -50.99 61.51 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 119.345 0.975 . . . . 0.0 112.635 169.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.87 -51.85 59.58 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.354 1.061 . . . . 0.0 111.961 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 27' ' ' GLU . . . . . 0.423 ' HB3' HH12 ' C' ' 31' ' ' ARG . 0.4 OUTLIER -66.02 -36.21 82.64 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 123.88 0.872 . . . . 0.0 112.931 176.649 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.03 97.31 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.718 1.145 . . . . 0.0 112.221 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 11.2 mt -66.91 -48.88 67.31 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.357 1.063 . . . . 0.0 111.595 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -62.3 -40.04 94.99 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.413 0.625 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 31' ' ' ARG . . . . . 0.423 HH12 ' HB3' ' C' ' 27' ' ' GLU . 34.2 ttm105 -63.96 -44.63 92.2 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.102 0.961 . . . . 0.0 112.055 173.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 46.5 ttp -55.29 -47.2 75.9 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.257 0.935 . . . . 0.0 111.697 171.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -52.99 -53.83 44.22 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.914 0.779 . . . . 0.0 112.306 174.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 17.1 mt -68.04 -39.64 83.02 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.241 0.217 . . . . 0.0 111.237 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -76.87 -30.87 56.44 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.775 1.23 . . . . 0.0 112.975 -174.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -132.93 78.42 65.88 Favored Pre-proline 0 CA--C 1.544 0.728 0 C-N-CA 126.255 1.822 . . . . 0.0 109.337 177.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -46.93 -31.37 11.05 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 124.064 3.176 . . . . 0.0 114.615 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.86 -38.76 7.72 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.268 1.827 . . . . 0.0 113.664 172.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 3.1 t -57.88 -32.75 68.01 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 119.439 1.018 . . . . 0.0 113.185 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -54.56 -30.62 54.65 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.904 1.281 . . . . 0.0 112.264 176.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 41' ' ' THR . . . . . 0.414 HG21 ' HB2' ' B' ' 97' ' ' HIS . 1.9 t -59.78 -20.37 56.3 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -60.72 -18.71 56.09 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.111 0.868 . . . . 0.0 112.021 174.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 33.99 55.47 1.65 Allowed Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 126.585 1.954 . . . . 0.0 111.843 -175.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -74.38 1.46 7.34 Favored 'Trans proline' 0 CA--C 1.545 1.041 0 C-N-CA 123.138 2.559 . . . . 0.0 114.4 -165.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.266 0.3 OUTLIER 105.13 -1.33 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.266 1 C-N-CA 132.283 4.233 . . . . 0.0 112.811 179.837 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.34 163.72 22.44 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -128.22 134.31 48.99 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.88 2.072 . . . . 0.0 108.478 168.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 69.2 mt -116.24 37.48 3.69 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.381 1.472 . . . . 0.0 110.307 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 46.3 p -66.12 16.58 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 129.262 3.025 . . . . 0.0 116.03 -176.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 68.47 128.53 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 128.977 2.911 . . . . 0.0 113.71 -174.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.83 25.78 69.46 Favored Glycine 0 CA--C 1.538 1.491 0 O-C-N 121.412 -0.805 . . . . 0.0 114.713 -175.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -52.61 131.43 34.37 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.639 1.576 . . . . 0.0 114.18 -171.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.16 -22.6 64.87 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.958 1.303 . . . . 0.0 113.564 172.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -86.1 -39.42 16.76 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.376 0.67 . . . . 0.0 111.461 176.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.96 -37.94 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 121.178 -0.951 . . . . 0.0 112.011 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -64.02 -38.8 92.4 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.519 1.054 . . . . 0.0 113.728 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.7 -47.26 41.71 Favored Glycine 0 N--CA 1.474 1.203 0 C-N-CA 123.984 0.802 . . . . 0.0 111.829 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -61.0 -41.61 96.86 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 122.048 -0.678 . . . . 0.0 112.3 173.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.79 -50.51 49.56 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 123.877 0.751 . . . . 0.0 112.79 170.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -56.21 -42.65 77.56 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.099 0.96 . . . . 0.0 113.575 171.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -53.04 60.44 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 118.952 0.797 . . . . 0.0 112.669 174.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 95.0 t -54.31 -43.74 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 119.179 0.9 . . . . 0.0 110.846 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 63' ' ' ALA . . . . . 0.496 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -59.25 -50.48 73.86 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 174.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.25 -38.1 82.44 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.716 1.144 . . . . 0.0 112.442 176.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.23 -35.32 80.43 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 170.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.01 -42.66 89.43 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.538 -0.726 . . . . 0.0 111.434 170.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 50.9 m -58.09 -43.73 87.23 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.826 1.194 . . . . 0.0 111.876 171.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -55.66 -48.98 74.12 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.47 1.108 . . . . 0.0 110.591 171.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 69' ' ' ALA . . . . . 0.401 ' HB1' HG22 ' C' ' 132' ' ' VAL . . . -60.52 -39.26 87.18 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 90.0 t -65.84 -45.43 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 119.932 1.242 . . . . 0.0 111.325 173.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.48 67.38 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.064 1.346 . . . . 0.0 113.503 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -133.05 35.25 3.53 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 125.141 1.376 . . . . 0.0 111.341 -171.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.31 -13.29 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 115.918 1.822 . . . . 0.0 115.918 -165.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -120.44 8.47 10.77 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.137 1.375 . . . . 0.0 113.897 169.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -129.54 -2.08 4.89 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.057 2.143 . . . . 0.0 112.519 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 76' ' ' MET . . . . . 0.464 ' HA ' ' HB3' ' C' ' 79' ' ' ALA . 24.3 ptt? -68.98 -12.95 0.23 Allowed Pre-proline 0 CA--C 1.544 0.745 0 N-CA-C 118.207 2.669 . . . . 0.0 118.207 176.099 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 77' ' ' PRO . . . . . 0.454 ' HA ' HG13 ' C' ' 135' ' ' VAL . 36.5 Cg_exo -42.95 -26.69 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 124.199 3.266 . . . . 0.0 117.473 176.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -119.67 -12.43 9.27 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 169.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 79' ' ' ALA . . . . . 0.464 ' HB3' ' HA ' ' C' ' 76' ' ' MET . . . -72.43 -14.6 61.73 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.434 -1.416 . . . . 0.0 114.079 177.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 69.0 mt -107.86 7.32 28.06 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.882 1.273 . . . . 0.0 112.756 173.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 34.6 m -56.54 -39.13 72.87 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.982 1.265 . . . . 0.0 114.395 -175.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.29 -28.6 66.92 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.817 0.735 . . . . 0.0 112.897 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 9.0 mt -85.08 -42.77 14.5 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.375 1.07 . . . . 0.0 110.448 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 21.7 t -53.94 -46.42 71.56 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.746 0.418 . . . . 0.0 111.309 169.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -54.12 -51.99 62.47 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.458 1.103 . . . . 0.0 111.922 170.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 61.9 tp -58.29 -24.65 60.21 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -96.25 -29.12 14.2 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.111 0.964 . . . . 0.0 112.846 -178.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -102.09 -36.42 8.57 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.07 1.348 . . . . 0.0 113.667 -174.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -103.4 -9.97 18.98 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.812 1.645 . . . . 0.0 112.716 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -132.46 155.49 48.45 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.434 2.294 . . . . 0.0 108.892 171.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 mt 58.41 -20.36 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 128.095 2.558 . . . . 0.0 117.668 173.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 4.4 mmt-85 52.16 44.52 29.59 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 128.747 2.819 . . . . 0.0 111.856 -173.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 70.8 t -57.78 106.96 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.511 1.524 . . . . 0.0 109.743 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.51 139.29 38.32 Favored Pre-proline 0 CA--C 1.546 0.804 0 CA-C-O 119.06 -0.495 . . . . 0.0 110.832 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.96 -31.77 5.75 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.602 3.535 . . . . 0.0 116.939 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.97 -41.86 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 120.23 1.377 . . . . 0.0 112.547 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -63.36 -31.7 72.92 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 121.134 -0.979 . . . . 0.0 112.187 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 98' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -58.73 -49.54 77.24 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 118.251 -0.88 . . . . 0.0 109.387 171.436 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -57.29 -43.72 83.42 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.937 0.875 . . . . 0.0 110.277 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 89.7 mt -59.21 -49.78 76.53 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.253 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -38.02 72.94 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.263 -0.898 . . . . 0.0 112.523 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 94.7 p -68.11 -42.21 80.59 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.964 1.257 . . . . 0.0 112.13 -175.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -61.18 -40.75 95.1 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.631 -0.668 . . . . 0.0 110.388 169.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 93.8 m -67.51 -20.85 65.49 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 173.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 35.0 mt -76.27 -50.56 14.07 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.073 1.306 . . . . 0.0 111.372 167.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 10.2 mt -48.64 -44.59 37.54 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.825 0.739 . . . . 0.0 111.143 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 4.3 t -49.53 -52.98 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.4 1.48 . . . . 0.0 114.19 167.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.01 -36.79 78.18 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.366 1.439 . . . . 0.0 112.947 -179.133 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.1 mt -62.04 -46.65 88.23 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.82 0.736 . . . . 0.0 109.237 173.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.99 -31.32 68.68 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 176.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.53 -9.76 55.26 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.321 1.601 . . . . 0.0 115.321 176.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -129.2 -32.11 2.04 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -174.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.72 149.92 40.0 Favored Pre-proline 0 CA--C 1.555 1.156 0 CA-C-N 119.064 0.847 . . . . 0.0 111.002 -176.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -45.35 -51.41 7.89 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 125.153 3.902 . . . . 0.0 117.214 -163.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.07 39.38 0.84 Allowed 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 125.144 1.377 . . . . 0.0 110.265 177.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -39.02 -38.24 0.43 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 127.244 2.218 . . . . 0.0 115.542 -168.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.09 8.53 0.06 Allowed 'General case' 0 CA--C 1.558 1.261 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 174.317 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.85 157.28 2.08 Favored Pre-proline 0 N--CA 1.486 1.359 0 CA-C-N 120.48 1.491 . . . . 0.0 112.125 -179.191 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -49.35 -56.96 2.65 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.172 1.915 . . . . 0.0 114.284 166.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.57 -33.75 76.64 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -176.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 62.3 t -89.72 -46.43 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.238 -0.914 . . . . 0.0 110.83 -174.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -67.3 -41.88 84.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 117.666 -1.159 . . . . 0.0 112.803 178.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.05 -56.78 17.59 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.873 1.215 . . . . 0.0 109.925 173.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 42.4 m -55.05 -41.6 71.64 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 124.453 1.101 . . . . 0.0 113.815 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 39.4 mt -73.8 -41.42 62.39 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 176.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -62.5 -49.77 74.05 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.878 1.217 . . . . 0.0 110.776 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -31.66 72.9 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 174.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -62.09 -55.7 26.31 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 117.964 -1.017 . . . . 0.0 111.645 169.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 32.7 mt -60.34 -31.61 70.47 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.884 1.22 . . . . 0.0 112.133 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.65 -37.48 87.73 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 168.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 31.0 t -68.89 -43.3 75.55 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.089 -1.632 . . . . 0.0 112.399 169.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 132' ' ' VAL . . . . . 0.401 HG22 ' HB1' ' C' ' 69' ' ' ALA . 60.3 t -51.48 -51.15 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 173.038 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 26.3 p -63.05 -52.02 64.44 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 116.822 -1.561 . . . . 0.0 112.77 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 22.2 m -48.41 -35.74 13.32 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 121.031 1.741 . . . . 0.0 112.189 177.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 135' ' ' VAL . . . . . 0.454 HG13 ' HA ' ' C' ' 77' ' ' PRO . 66.7 t -77.31 -47.67 26.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 123.632 0.773 . . . . 0.0 112.125 173.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -8.45 5.54 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.535 1.534 . . . . 0.0 114.287 172.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 34.9 p -126.74 17.03 7.46 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 127.881 2.473 . . . . 0.0 111.122 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 36.7 t . . . . . 0 N--CA 1.473 0.692 0 C-N-CA 126.881 2.072 . . . . 0.0 113.029 169.65 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.326 3.1 p . . . . . 0 N--CA 1.514 2.768 0 CA-C-O 116.667 -1.635 . . . . 0.0 113.112 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 19.85 77.39 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 127.889 2.475 . . . . 0.0 115.348 -174.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.77 157.38 27.71 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.161 0.584 . . . . 0.0 110.543 -179.171 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.53 150.6 89.8 Favored Pre-proline 0 N--CA 1.481 1.113 0 CA-C-O 118.092 -0.956 . . . . 0.0 109.181 169.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -53.69 -39.41 83.47 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.45 2.1 . . . . 0.0 114.664 175.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.97 -46.15 79.12 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.41 0.684 . . . . 0.0 111.77 174.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.42 -43.83 80.26 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 118.423 -0.798 . . . . 0.0 111.597 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -52.73 -53.51 46.82 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.058 1.343 . . . . 0.0 110.817 168.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 28.8 t -54.59 -45.55 73.62 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 118.6 0.636 . . . . 0.0 111.12 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.35 -55.58 32.94 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 174.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 11' ' ' VAL . . . . . 0.433 HG23 ' CZ ' ' D' ' 130' ' ' TYR . 3.4 p -60.38 -56.02 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 119.55 1.068 . . . . 0.0 111.135 -179.243 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -67.18 -35.19 79.12 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.458 -0.776 . . . . 0.0 112.654 -172.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.98 86.84 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 120.07 1.304 . . . . 0.0 112.277 175.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -66.53 -35.55 80.52 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.451 -0.781 . . . . 0.0 111.127 171.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -31.41 72.58 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 168.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.25 -42.67 99.25 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.55 1.071 . . . . 0.0 113.645 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -82.66 -19.86 37.37 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 176.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.21 139.73 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.386 1.074 . . . . 0.0 113.246 -170.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.73 92.68 9.3 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 107.589 -1.264 . . . . 0.0 107.589 171.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 75.6 t -56.3 -31.82 33.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 123.83 0.852 . . . . 0.0 112.93 -172.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -72.38 -48.57 40.54 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.95 1.3 . . . . 0.0 113.698 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -82.86 -45.2 14.54 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.305 -0.872 . . . . 0.0 111.638 -175.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.85 -30.34 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 119.2 0.909 . . . . 0.0 111.27 172.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.21 -44.58 28.33 Favored Glycine 0 C--N 1.342 0.866 0 CA-C-N 119.275 0.943 . . . . 0.0 111.715 177.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.12 -45.65 94.97 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 117.827 0.813 . . . . 0.0 112.097 170.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -66.52 -33.27 75.31 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 118.024 -0.989 . . . . 0.0 112.996 173.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.61 -57.29 7.52 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 121.332 1.878 . . . . 0.0 111.616 174.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 tp -68.12 -33.36 74.35 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 118.972 -0.537 . . . . 0.0 111.238 -176.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.564 ' O ' HG13 ' D' ' 33' ' ' VAL . . . -59.09 -55.19 32.22 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.001 164.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -37.57 8.98 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 119.464 1.632 . . . . 0.0 110.824 177.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 31' ' ' LEU . . . . . 0.46 ' HA ' HG21 ' D' ' 109' ' ' VAL . 36.6 tp -47.89 -50.64 25.99 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.686 1.13 . . . . 0.0 111.497 175.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 32' ' ' LEU . . . . . 0.562 HD21 ' CE2' ' D' ' 45' ' ' PHE . 0.3 OUTLIER -96.75 -22.5 16.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 118.053 -0.975 . . . . 0.0 112.944 -173.643 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 33' ' ' VAL . . . . . 0.564 HG13 ' O ' ' D' ' 29' ' ' GLY . 3.6 m -56.02 -29.42 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 119.718 1.145 . . . . 0.0 112.101 -178.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -2.86 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.658 1.583 . . . . 0.0 114.325 177.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 51.93 39.09 0.58 Allowed Pre-proline 0 CA--C 1.561 1.383 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -167.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -79.42 174.06 12.39 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.845 2.364 . . . . 0.0 112.265 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 12.2 p90 -55.33 -35.17 64.88 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.878 1.271 . . . . 0.0 113.85 170.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.39 -22.11 11.47 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.769 1.228 . . . . 0.0 114.215 169.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -56.98 -26.38 59.89 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.751 1.159 . . . . 0.0 113.101 173.038 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -54.92 -27.84 46.3 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 120.872 1.669 . . . . 0.0 113.174 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -86.89 8.08 24.53 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -52.32 -25.89 10.77 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.57 -23.25 49.58 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.014 1.725 . . . . 0.0 113.684 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 75.9 p -60.6 -43.04 97.86 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.666 0.787 . . . . 0.0 112.158 170.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 45' ' ' PHE . . . . . 0.562 ' CE2' HD21 ' D' ' 32' ' ' LEU . 10.2 m-85 -74.81 -5.06 41.38 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.424 1.49 . . . . 0.0 113.866 -178.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.18 22.17 49.08 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 125.609 1.576 . . . . 0.0 115.358 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -158.88 -125.4 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.591 1.156 . . . . 0.0 110.678 -163.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 7.7 tt 61.69 -6.36 0.13 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 128.169 2.588 . . . . 0.0 115.586 -174.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 3.1 m -46.31 -28.82 1.42 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.8 2.04 . . . . 0.0 116.118 -173.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 7.2 p -141.38 161.0 55.07 Favored Pre-proline 0 N--CA 1.477 0.881 0 C-N-CA 125.69 1.596 . . . . 0.0 111.65 168.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -58.77 -42.09 56.71 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.6 2.867 . . . . 0.0 114.923 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.19 -35.39 80.94 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.523 -0.736 . . . . 0.0 112.052 175.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.32 -49.47 73.81 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 118.784 -0.627 . . . . 0.0 112.066 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -59.57 -34.51 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 119.914 1.234 . . . . 0.0 113.454 -177.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 32.2 ttm -82.25 -22.14 35.94 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.26 -19.43 23.49 Favored Glycine 0 CA--C 1.54 1.609 0 C-N-CA 124.55 1.071 . . . . 0.0 114.754 177.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -56.9 120.79 40.8 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 125.579 1.552 . . . . 0.0 113.304 -173.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -57.49 -31.37 91.24 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.827 2.352 . . . . 0.0 113.226 177.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 25.8 tttp -67.57 -37.99 83.45 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.615 1.098 . . . . 0.0 112.794 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 79.5 t -68.49 -37.81 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 CA-C-O 118.356 -0.831 . . . . 0.0 111.348 170.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -64.31 -49.64 70.95 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 120.156 1.344 . . . . 0.0 112.078 173.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.96 -48.9 74.65 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.356 1.062 . . . . 0.0 112.803 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.97 -36.11 82.42 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.772 -1.205 . . . . 0.0 111.027 172.325 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.2 -49.48 50.1 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 126.896 2.189 . . . . 0.0 113.581 168.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -58.14 -40.19 80.66 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.83 0.852 . . . . 0.0 112.014 172.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -66.12 -55.57 15.8 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.742 0.817 . . . . 0.0 112.475 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.85 -41.6 76.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.17 0.896 . . . . 0.0 112.199 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 5.6 tt -75.75 -40.32 55.61 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.534 -0.728 . . . . 0.0 112.928 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.82 -38.96 54.93 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.415 1.007 . . . . 0.0 112.477 173.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.98 -50.13 74.94 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 117.502 0.651 . . . . 0.0 112.317 169.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 71' ' ' PHE . . . . . 0.429 ' CE2' HD22 ' D' ' 110' ' ' LEU . 10.4 m-85 -55.34 -40.39 71.15 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 120.224 -1.548 . . . . 0.0 113.159 173.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 14.3 m -64.71 -44.32 90.6 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.21 1.004 . . . . 0.0 113.133 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -58.06 -32.03 67.63 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.535 0.734 . . . . 0.0 111.803 171.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.04 -62.51 5.99 Favored Glycine 0 C--N 1.339 0.71 0 C-N-CA 124.235 0.921 . . . . 0.0 111.385 168.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 mt -54.21 -30.31 49.42 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.401 1.1 . . . . 0.0 113.805 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.96 -15.8 58.68 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 173.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -150.24 42.69 0.85 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.944 1.297 . . . . 0.0 113.273 -170.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 93.0 mt -63.72 -15.06 57.53 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.245 -1.534 . . . . 0.0 114.756 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -48.43 -42.08 31.17 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.942 1.297 . . . . 0.0 113.052 173.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -154.17 114.88 3.99 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.131 1.372 . . . . 0.0 109.823 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 66.4 mt -87.48 -33.17 19.11 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.273 0.629 . . . . 0.0 112.213 174.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -65.18 -15.62 62.63 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 120.348 -1.47 . . . . 0.0 113.174 -175.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.81 -46.97 2.79 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.522 1.534 . . . . 0.0 113.737 176.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.5 p -72.17 -24.79 61.49 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 118.868 1.334 . . . . 0.0 113.657 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -105.28 6.52 32.89 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.89 0.876 . . . . 0.0 112.989 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.68 -40.59 79.76 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 120.749 1.613 . . . . 0.0 114.235 -176.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 15.8 p -65.4 -36.66 84.64 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.957 -1.089 . . . . 0.0 111.917 172.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 21.5 mt -75.05 -34.98 61.89 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 118.082 -0.961 . . . . 0.0 112.671 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 55.6 p -70.45 -36.05 73.71 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 120.454 1.479 . . . . 0.0 111.409 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.04 -53.37 59.16 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.82 0.848 . . . . 0.0 112.237 165.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 49.0 tp -53.02 -51.83 60.42 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.333 -0.854 . . . . 0.0 111.118 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -78.65 19.46 0.49 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.278 1.431 . . . . 0.0 113.935 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 52.8 t -136.43 -88.62 0.3 Allowed 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -49.53 -21.69 1.04 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.24 2.216 . . . . 0.0 116.297 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.58 -35.81 5.67 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.545 1.138 . . . . 0.0 113.214 169.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mt -140.09 52.57 1.67 Allowed 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 125.9 1.68 . . . . 0.0 112.549 -168.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 97' ' ' HIS . . . . . 0.41 ' CB ' HG21 ' A' ' 41' ' ' THR . 15.2 m80 -58.26 29.43 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.71 0 C-N-CA 127.324 2.25 . . . . 0.0 114.895 172.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 8.6 p -46.36 142.46 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 O-C-N 118.899 -2.376 . . . . 0.0 110.908 174.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -58.91 130.02 85.94 Favored Pre-proline 0 CA--C 1.55 0.954 0 O-C-N 120.776 -1.203 . . . . 0.0 112.067 -172.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -51.3 -27.97 25.19 Favored 'Trans proline' 0 C--N 1.356 0.95 0 C-N-CA 124.121 3.214 . . . . 0.0 116.788 -169.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.74 -29.92 41.83 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.995 -1.066 . . . . 0.0 113.054 171.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -63.94 -40.03 95.5 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.109 -0.994 . . . . 0.0 111.308 175.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -62.26 -47.51 84.04 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.505 1.048 . . . . 0.0 111.169 173.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -57.03 -43.55 82.02 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.065 0.946 . . . . 0.0 112.249 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mp -59.59 -51.86 68.02 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.668 0.787 . . . . 0.0 111.695 172.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.9 -33.67 69.0 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.358 0.981 . . . . 0.0 111.804 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 107' ' ' GLY . . . . . 0.474 ' HA2' HG11 ' D' ' 134' ' ' VAL . . . -66.31 -48.21 65.69 Favored Glycine 0 CA--C 1.526 0.735 0 O-C-N 121.067 -1.021 . . . . 0.0 114.609 173.337 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.05 -33.94 76.51 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 122.759 1.266 . . . . 0.0 111.967 173.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 109' ' ' VAL . . . . . 0.46 HG21 ' HA ' ' D' ' 31' ' ' LEU . 3.0 t -62.33 -47.49 92.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 125.542 1.537 . . . . 0.0 112.447 175.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 110' ' ' LEU . . . . . 0.429 HD22 ' CE2' ' D' ' 71' ' ' PHE . 21.3 tp -52.59 -56.89 12.19 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 124.063 0.945 . . . . 0.0 110.305 176.262 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 18.4 m -55.95 -44.52 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-N 118.412 0.551 . . . . 0.0 111.89 -174.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 50.4 t -60.42 -44.51 95.69 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 121.029 -1.044 . . . . 0.0 113.444 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.91 -34.49 63.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 120.515 1.507 . . . . 0.0 111.666 175.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mt -65.08 -39.75 93.66 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.208 1.367 . . . . 0.0 110.257 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.06 77.21 Favored 'General case' 0 CA--C 1.526 0.055 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 174.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -61.98 -61.16 2.68 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.531 0.605 . . . . 0.0 110.44 168.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -72.76 -20.78 61.12 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -166.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -129.86 39.58 3.68 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.063 1.745 . . . . 0.0 111.489 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.67 -20.47 7.83 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.181 1.372 . . . . 0.0 116.228 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -25.64 65.28 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 168.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -134.99 11.36 3.61 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.801 1.241 . . . . 0.0 114.064 -173.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.93 29.68 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 128.324 2.65 . . . . 0.0 117.241 177.427 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 30.1 p -46.18 148.58 1.49 Allowed Pre-proline 0 N--CA 1.484 1.238 0 C-N-CA 125.303 1.441 . . . . 0.0 113.849 -165.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -45.33 -44.97 15.83 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 122.286 1.99 . . . . 0.0 114.522 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.17 -38.28 36.95 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.944 1.763 . . . . 0.0 114.554 172.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.39 -44.52 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 CA-C-N 121.388 1.904 . . . . 0.0 111.695 -177.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -66.52 -41.92 88.06 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.861 -0.524 . . . . 0.0 110.936 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.97 97.68 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.732 0.813 . . . . 0.0 113.183 172.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.71 76.45 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.194 0.997 . . . . 0.0 110.552 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 130' ' ' TYR . . . . . 0.433 ' CZ ' HG23 ' D' ' 11' ' ' VAL . 33.5 m-85 -51.3 -49.58 61.02 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.405 0.548 . . . . 0.0 112.089 167.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -34.43 74.83 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 117.587 -1.197 . . . . 0.0 113.205 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -68.24 -41.77 80.69 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 121.766 2.076 . . . . 0.0 113.59 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 2.2 p -63.62 -44.95 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 120.29 1.405 . . . . 0.0 110.721 171.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 134' ' ' VAL . . . . . 0.474 HG11 ' HA2' ' D' ' 107' ' ' GLY . 68.9 t -69.08 -31.69 51.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -177.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.97 -46.49 84.37 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 120.231 -1.543 . . . . 0.0 111.029 172.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.5 -43.11 94.18 Favored Glycine 0 N--CA 1.471 0.971 0 O-C-N 122.125 -0.359 . . . . 0.0 112.258 169.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.02 -43.27 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.248 1.019 . . . . 0.0 113.203 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.32 96.6 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.497 -0.752 . . . . 0.0 110.38 176.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -66.65 -32.04 73.1 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.143 0.577 . . . . 0.0 112.28 173.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.32 86.29 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.472 -1.393 . . . . 0.0 111.879 171.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 6.9 mt -65.77 -41.8 91.61 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.101 -1.0 . . . . 0.0 111.934 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.84 -13.62 62.53 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 173.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -54.07 -42.61 69.47 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 120.148 1.34 . . . . 0.0 112.286 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -61.21 -15.16 31.4 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.776 1.63 . . . . 0.0 114.429 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -75.71 -20.16 58.57 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.717 1.207 . . . . 0.0 111.779 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--O 1.255 1.371 0 C-N-CA 127.976 2.51 . . . . 0.0 114.584 -177.131 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.319 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.632 HD13 HG22 ' A' ' 73' ' ' VAL . 0.6 OUTLIER -152.18 171.05 18.53 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 122.46 2.391 . . . . 0.0 109.842 -177.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 168.97 -27.41 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.622 0 N-CA-C 116.899 2.185 . . . . 0.0 116.899 -178.156 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -58.8 -161.04 0.02 OUTLIER 'Trans proline' 0 CA--C 1.548 1.186 0 C-N-CA 124.541 3.494 . . . . 0.0 115.075 172.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -45.9 -29.92 1.56 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.907 1.283 . . . . 0.0 114.167 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -47.58 -63.43 1.06 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 168.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -50.86 -45.11 59.77 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.009 1.323 . . . . 0.0 111.133 175.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.6 m -61.01 -49.58 76.85 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.622 0.769 . . . . 0.0 112.187 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.08 -38.25 90.14 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.137 0.975 . . . . 0.0 112.012 178.175 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.08 -47.99 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.721 1.208 . . . . 0.0 111.361 172.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -61.25 -44.57 97.03 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 119.304 0.956 . . . . 0.0 111.88 173.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.13 -50.12 74.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.328 0.651 . . . . 0.0 111.054 178.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.09 -57.33 13.32 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.748 0.819 . . . . 0.0 111.262 173.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -63.49 -23.99 67.63 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -175.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.75 -40.39 98.44 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.919 1.247 . . . . 0.0 113.363 170.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -70.41 -35.67 73.57 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 118.3 1.05 . . . . 0.0 111.419 170.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.93 -29.06 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.798 1.239 . . . . 0.0 113.256 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.46 123.23 1.05 Allowed Glycine 0 CA--C 1.541 1.668 0 C-N-CA 125.239 1.4 . . . . 0.0 113.929 176.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 81.29 -42.02 0.16 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 129.323 3.049 . . . . 0.0 114.26 -173.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -77.05 -11.79 59.85 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 174.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.509 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -42.57 -52.9 4.62 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.599 1.96 . . . . 0.0 113.749 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.0 -33.2 86.59 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 119.686 -0.508 . . . . 0.0 114.084 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.87 -45.44 89.42 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.348 1.059 . . . . 0.0 109.923 173.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.461 ' HA ' HG21 ' A' ' 108' ' ' THR . 14.6 m-30 -65.98 -37.42 85.91 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.75 -49.88 73.7 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 123.236 0.446 . . . . 0.0 112.268 168.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.15 -49.17 76.76 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.286 1.043 . . . . 0.0 112.511 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.48 -38.16 90.06 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 121.669 -0.644 . . . . 0.0 112.509 174.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.34 98.98 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.631 1.105 . . . . 0.0 112.195 177.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.2 mt -62.79 -49.69 73.99 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.272 1.029 . . . . 0.0 111.535 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -57.06 -46.72 82.23 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.669 0.668 . . . . 0.0 111.981 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.3 ttm-85 -61.36 -46.09 91.65 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.906 0.882 . . . . 0.0 111.494 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 47.3 ttp -58.46 -50.92 71.98 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.144 173.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -52.42 -57.16 10.71 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.469 0.708 . . . . 0.0 111.898 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' B' ' 125' ' ' PRO . 0.6 OUTLIER -69.53 -36.17 76.16 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.258 0.481 . . . . 0.0 111.398 -174.55 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.9 t -74.87 -30.71 61.41 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -175.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.517 ' CE2' HD22 ' A' ' 100' ' ' LEU . 98.4 m-85 -136.77 71.16 57.76 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 126.055 1.742 . . . . 0.0 109.302 -175.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -61.09 -13.18 26.39 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 123.076 2.517 . . . . 0.0 113.729 -173.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.21 -36.54 1.79 Allowed 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 163.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -36.26 73.72 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-N 121.51 1.959 . . . . 0.0 113.873 173.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -17.73 30.49 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 120.82 1.645 . . . . 0.0 114.327 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.29 -20.83 59.99 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 176.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -69.57 14.87 0.09 Allowed 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.17 0.895 . . . . 0.0 113.204 177.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.6 t80 63.58 59.66 1.89 Allowed Pre-proline 0 CA--C 1.544 0.719 0 C-N-CA 127.0 2.12 . . . . 0.0 112.075 172.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -62.24 123.67 12.91 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.678 2.919 . . . . 0.0 110.641 -175.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -66.99 3.92 0.98 Allowed 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 175.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -141.01 150.23 42.77 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.74 2.016 . . . . 0.0 111.312 -167.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.04 95.1 2.97 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 166.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.494 HD13 ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -59.67 1.81 0.09 Allowed 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 172.14 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 m -59.13 155.02 14.72 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.457 2.303 . . . . 0.0 113.739 -178.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -50.47 141.11 12.7 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 169.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.34 1.71 29.74 Favored Glycine 0 CA--C 1.54 1.622 0 N-CA-C 116.26 1.264 . . . . 0.0 116.26 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.7 t -60.45 136.23 57.98 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.995 1.397 . . . . 0.0 113.555 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.15 -20.71 66.18 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.172 0.989 . . . . 0.0 113.661 171.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -81.78 -41.37 21.25 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.615 0.766 . . . . 0.0 111.249 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 91.1 t -62.77 -40.56 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 123.893 0.877 . . . . 0.0 112.019 -177.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -59.49 -42.64 92.59 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.219 0.918 . . . . 0.0 113.171 174.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.33 -44.67 73.55 Favored Glycine 0 N--CA 1.472 1.09 0 C-N-CA 123.952 0.786 . . . . 0.0 112.476 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -61.25 -47.73 84.71 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 122.248 -0.56 . . . . 0.0 111.002 170.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.6 -49.6 56.89 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.476 1.036 . . . . 0.0 113.782 176.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -53.43 -46.24 69.72 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.607 1.163 . . . . 0.0 112.102 171.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -44.81 80.07 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.81 -43.71 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 119.96 1.255 . . . . 0.0 110.359 172.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.509 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -64.87 -46.11 83.19 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 118.76 -0.638 . . . . 0.0 112.569 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.47 -37.82 79.18 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.721 1.146 . . . . 0.0 112.161 173.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.502 ' HA ' HD21 ' A' ' 68' ' ' ASN . . . -61.03 -40.95 95.54 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 121.722 -0.611 . . . . 0.0 112.117 170.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -41.21 98.4 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 118.567 -0.73 . . . . 0.0 111.711 171.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.3 m -58.41 -42.91 88.24 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 120.202 1.364 . . . . 0.0 111.283 171.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.502 HD21 ' HA ' ' A' ' 65' ' ' ALA . 0.1 OUTLIER -66.66 -31.37 72.01 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.827 1.194 . . . . 0.0 111.957 175.011 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.42 -41.28 76.56 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-O 118.7 -0.667 . . . . 0.0 111.449 172.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.9 t -65.74 -48.79 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-N 120.096 1.316 . . . . 0.0 111.073 174.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.28 -30.84 65.04 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.388 1.475 . . . . 0.0 113.049 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -129.01 34.95 4.37 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 124.56 1.144 . . . . 0.0 111.315 -176.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.632 HG22 HD13 ' A' ' 2' ' ' LEU 0.257 8.6 p -57.52 -25.39 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 119.781 -1.824 . . . . 0.0 113.893 -172.006 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -94.68 -11.52 29.05 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 170.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -124.65 5.78 8.2 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.183 2.193 . . . . 0.0 112.93 -167.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -78.91 -3.72 0.07 OUTLIER Pre-proline 0 CA--C 1.548 0.892 0 N-CA-C 118.93 2.937 . . . . 0.0 118.93 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_exo -43.66 -34.07 5.22 Favored 'Trans proline' 0 C--N 1.364 1.366 0 CA-C-N 125.223 2.901 . . . . 0.0 117.058 -177.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.07 5.97 9.24 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.5 1.12 . . . . 0.0 114.003 173.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.45 -29.79 61.61 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.273 -1.517 . . . . 0.0 112.099 171.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.404 HD22 HD12 ' A' ' 83' ' ' LEU . 75.0 mt -80.89 1.57 30.25 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.498 0.719 . . . . 0.0 112.742 173.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.6 m -56.89 -31.12 64.54 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 120.469 1.486 . . . . 0.0 114.931 -177.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.51 -29.28 69.9 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 120.442 1.474 . . . . 0.0 112.759 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.404 HD12 HD22 ' A' ' 80' ' ' LEU . 5.9 mt -82.48 -38.0 24.52 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.379 1.472 . . . . 0.0 110.793 178.442 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.8 m -66.65 -29.21 69.18 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 124.31 1.044 . . . . 0.0 112.516 167.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.89 -47.93 67.46 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.429 1.468 . . . . 0.0 111.131 169.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 tp -50.9 -52.43 41.97 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.408 0.683 . . . . 0.0 111.483 167.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -70.18 -48.85 55.45 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 118.092 -0.956 . . . . 0.0 112.183 -175.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.46 -16.06 50.24 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 121.013 1.733 . . . . 0.0 114.646 -175.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -124.31 14.81 8.99 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.874 1.269 . . . . 0.0 113.183 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -140.68 -53.45 0.49 Allowed 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 116.114 1.894 . . . . 0.0 116.114 175.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mp -130.87 -21.92 2.67 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 116.739 2.126 . . . . 0.0 116.739 -176.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 50.64 32.08 6.48 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.734 2.013 . . . . 0.0 114.668 171.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 t -55.18 135.39 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.123 1.369 . . . . 0.0 111.913 -173.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -51.89 133.7 38.38 Favored Pre-proline 0 CA--C 1.554 1.118 0 C-N-CA 122.958 0.503 . . . . 0.0 112.354 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -47.16 -22.78 2.47 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 124.92 3.746 . . . . 0.0 116.477 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.7 p -45.73 -47.6 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 119.984 1.265 . . . . 0.0 112.005 168.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -65.98 -23.75 66.65 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 120.044 1.293 . . . . 0.0 112.438 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -60.27 -52.87 63.45 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.172 1.351 . . . . 0.0 108.981 170.546 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -56.13 -34.44 66.09 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.912 0.885 . . . . 0.0 111.262 -175.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.517 HD22 ' CE2' ' A' ' 36' ' ' PHE . 66.0 mt -68.75 -53.32 22.57 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.845 0.858 . . . . 0.0 111.836 175.27 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.51 -39.81 94.47 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.522 1.055 . . . . 0.0 112.065 -177.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.8 p -65.19 -42.62 93.43 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.161 0.891 . . . . 0.0 111.392 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -57.97 -50.28 73.93 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.662 0.785 . . . . 0.0 111.53 169.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 91.6 m -59.02 -37.56 77.23 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 118.325 -0.845 . . . . 0.0 113.162 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.45 -55.58 29.64 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 117.913 -1.041 . . . . 0.0 111.758 172.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.0 mt -45.82 -44.76 14.44 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.191 0.905 . . . . 0.0 111.161 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.66 -48.46 88.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 118.389 -0.815 . . . . 0.0 113.03 173.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -62.38 -44.15 97.14 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 120.824 1.647 . . . . 0.0 112.306 178.286 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.87 -46.49 89.21 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 122.963 0.505 . . . . 0.0 110.322 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.82 -27.8 60.57 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 173.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.64 -5.48 40.73 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 174.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -131.82 -23.58 2.26 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -173.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.7 mp -100.31 157.99 32.79 Favored Pre-proline 0 CA--C 1.555 1.167 0 C-N-CA 124.242 1.017 . . . . 0.0 110.358 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -53.34 -35.57 75.39 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 123.924 3.083 . . . . 0.0 114.808 -171.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.408 ' C ' ' H ' ' A' ' 117' ' ' PHE . . . -140.72 -56.82 0.52 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.108 1.363 . . . . 0.0 110.822 176.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 64.94 -13.79 0.11 Allowed 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.408 ' H ' ' C ' ' A' ' 115' ' ' ALA . 0.1 OUTLIER -126.5 18.02 7.53 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 126.865 2.066 . . . . 0.0 110.842 -173.575 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.2 p -54.36 163.4 1.3 Allowed Pre-proline 0 N--CA 1.486 1.366 0 C-N-CA 125.012 1.325 . . . . 0.0 110.295 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.49 ' HA ' HG21 ' B' ' 33' ' ' VAL . 36.9 Cg_exo -51.91 -41.4 63.57 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 CA-C-N 120.536 1.227 . . . . 0.0 113.913 176.186 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.74 -49.94 14.79 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 122.922 0.489 . . . . 0.0 111.122 174.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.4 t -70.84 -40.36 76.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 121.035 -1.04 . . . . 0.0 111.52 -168.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -45.36 93.36 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.439 1.018 . . . . 0.0 111.727 174.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.34 -55.5 30.83 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 122.895 0.478 . . . . 0.0 109.956 173.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 69.4 m -53.55 -51.1 64.0 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 126.474 1.91 . . . . 0.0 112.738 -176.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.7 mt -71.07 -44.39 65.84 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 117.969 -1.015 . . . . 0.0 112.557 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.0 -48.15 80.07 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.946 1.248 . . . . 0.0 111.669 -178.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -30.98 71.2 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 173.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -66.3 -52.97 41.91 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.795 1.18 . . . . 0.0 111.822 171.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.1 mt -59.09 -37.19 76.54 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.296 0.953 . . . . 0.0 110.23 175.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.47 -48.3 71.94 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.673 1.124 . . . . 0.0 112.112 167.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' SER . . . . . 0.491 ' CB ' HD11 ' A' ' 2' ' ' LEU . 22.1 m -60.01 -45.94 91.12 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 170.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 35.3 t -54.31 -51.44 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 119.478 1.036 . . . . 0.0 108.828 176.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 44.0 m -60.19 -50.48 73.49 Favored 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 125.976 1.71 . . . . 0.0 112.995 176.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 58.5 m -52.38 -41.69 63.34 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.653 1.569 . . . . 0.0 111.906 176.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 89.7 t -74.39 -38.9 47.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 122.621 0.368 . . . . 0.0 111.754 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.12 -23.57 64.0 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.433 -1.417 . . . . 0.0 113.836 174.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 59.2 p -95.63 -0.35 51.89 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.252 1.821 . . . . 0.0 111.822 171.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 CA--C 1.535 0.378 0 CA-C-O 122.558 1.171 . . . . 0.0 110.968 164.865 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.289 0.4 OUTLIER . . . . . 0 N--CA 1.517 2.901 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 t60 25.82 77.73 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 128.192 2.597 . . . . 0.0 115.439 -173.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.92 145.66 12.31 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.388 0.675 . . . . 0.0 112.087 -172.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.49 130.25 4.85 Favored Pre-proline 0 N--CA 1.481 1.1 0 CA-C-O 117.587 -1.197 . . . . 0.0 110.534 168.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -45.7 -43.25 18.89 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 124.26 3.307 . . . . 0.0 116.743 -169.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.54 -43.49 98.68 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.773 0.715 . . . . 0.0 112.28 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -70.03 -43.05 72.09 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.733 174.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -46.89 66.72 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.348 1.431 . . . . 0.0 110.657 170.271 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.84 -46.95 86.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 119.162 0.892 . . . . 0.0 111.152 175.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.96 -56.09 23.53 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.997 0.919 . . . . 0.0 113.225 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.88 -49.21 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 CA-C-N 119.088 0.858 . . . . 0.0 111.612 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.3 m -72.8 -38.92 67.06 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.208 0.913 . . . . 0.0 111.483 -168.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.26 -52.74 64.02 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-O 118.78 -0.628 . . . . 0.0 110.063 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.59 -37.39 87.16 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.749 -0.643 . . . . 0.0 111.889 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' TRP . . . . . 0.524 ' CZ2' ' HB3' ' B' ' 72' ' ' SER . 1.1 t90 -54.29 -47.68 72.12 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.138 0.881 . . . . 0.0 111.979 171.323 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.75 -8.44 7.74 Favored Glycine 0 CA--C 1.54 1.629 0 C-N-CA 125.125 1.345 . . . . 0.0 115.816 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.04 -8.51 5.97 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.978 2.111 . . . . 0.0 111.593 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.61 135.81 25.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.146 1.378 . . . . 0.0 110.092 173.283 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -85.2 84.33 7.72 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 45.9 t -52.49 -36.57 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -165.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -72.29 -36.32 68.93 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -91.1 -49.82 6.19 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.744 -0.597 . . . . 0.0 110.978 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -28.62 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 118.999 0.818 . . . . 0.0 112.277 169.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.68 -46.54 7.83 Favored Glycine 0 C--N 1.34 0.79 0 CA-C-N 119.44 1.018 . . . . 0.0 111.987 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.31 -39.99 93.39 Favored Glycine 0 N--CA 1.469 0.86 0 CA-C-N 118.104 0.952 . . . . 0.0 111.82 168.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.22 -52.08 60.53 Favored 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 124.613 1.165 . . . . 0.0 111.859 172.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.552 ' HA ' HG11 ' B' ' 113' ' ' VAL . . . -61.87 -49.76 74.95 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.913 1.688 . . . . 0.0 112.336 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.539 HD21 ' CD2' ' B' ' 63' ' ' HIS . 22.9 tp -69.79 -45.67 67.44 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 119.064 -0.493 . . . . 0.0 111.501 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.14 -45.48 95.94 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 119.482 1.037 . . . . 0.0 112.288 176.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.572 ' HA ' HG22 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -59.9 -28.34 67.49 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 117.871 -1.062 . . . . 0.0 111.567 175.675 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -53.8 32.97 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.493 1.497 . . . . 0.0 110.684 175.023 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.536 HD22 ' H ' ' B' ' 32' ' ' LEU . 1.0 OUTLIER -70.2 -31.0 68.25 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.993 0.517 . . . . 0.0 112.041 -179.234 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.572 HG22 ' HA ' ' B' ' 30' ' ' ARG . 1.0 OUTLIER -79.89 -10.32 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 174.833 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 98.5 t -100.48 -44.04 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-N 120.598 1.544 . . . . 0.0 110.82 176.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' TYR . . . . . 0.411 ' CZ ' HD22 ' B' ' 105' ' ' LEU . 83.6 m-85 -125.09 69.54 59.28 Favored Pre-proline 0 CA--C 1.533 0.294 0 C-N-CA 124.611 1.164 . . . . 0.0 110.574 -178.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_exo -44.12 -32.49 4.88 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.887 3.058 . . . . 0.0 115.907 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -51.05 -41.12 59.67 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.39 1.076 . . . . 0.0 113.049 174.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 75.1 p -59.91 -25.94 65.52 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.682 1.193 . . . . 0.0 112.62 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.32 -22.13 52.0 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-O 118.22 -0.895 . . . . 0.0 112.426 174.173 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -55.37 -33.32 63.32 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 121.245 1.838 . . . . 0.0 112.631 176.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -84.37 13.01 5.81 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 174.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 0.474 ' CG ' ' N ' ' B' ' 43' ' ' GLU . 0.8 OUTLIER -62.47 -78.27 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.908 1.231 . . . . 0.0 111.259 172.846 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.474 ' N ' ' CG ' ' B' ' 42' ' ' PHE . 40.5 mt-10 41.23 5.48 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.327 0 N-CA-C 117.906 2.558 . . . . 0.0 117.906 -165.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 92.2 p -142.11 -33.44 0.48 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.352 1.861 . . . . 0.0 114.144 -171.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.451 ' CE2' HD21 ' B' ' 32' ' ' LEU . 3.8 m-85 -50.91 -30.93 16.01 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.653 1.981 . . . . 0.0 112.99 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.56 -50.02 3.74 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.526 1.536 . . . . 0.0 114.379 165.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -92.3 -118.41 0.08 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.68 1.192 . . . . 0.0 108.172 171.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.95 -19.44 0.05 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 127.573 2.349 . . . . 0.0 116.323 -177.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 6.2 m -50.33 -25.06 3.39 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 127.048 2.139 . . . . 0.0 114.964 -176.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -132.35 157.55 77.99 Favored Pre-proline 0 N--CA 1.469 0.501 0 C-N-CA 125.848 1.659 . . . . 0.0 111.625 168.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -53.25 -50.84 12.57 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.36 3.373 . . . . 0.0 114.955 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -62.62 -35.59 80.06 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.064 0.945 . . . . 0.0 112.398 176.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.79 -38.25 88.51 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 118.6 -0.714 . . . . 0.0 112.639 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.493 HG21 HD23 ' B' ' 32' ' ' LEU . 0.5 OUTLIER -63.98 -38.17 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 CA-C-N 120.87 1.668 . . . . 0.0 112.361 177.885 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.66 -38.2 48.25 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.44 -15.92 78.99 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 123.756 0.693 . . . . 0.0 114.358 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -64.81 122.5 79.47 Favored Pre-proline 0 CA--C 1.547 0.848 0 CA-C-N 118.402 1.101 . . . . 0.0 112.733 -177.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -58.42 -35.49 98.62 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.167 2.578 . . . . 0.0 113.064 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -22.65 60.25 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 177.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 73.4 t -77.91 -35.94 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 CA-C-N 120.214 1.37 . . . . 0.0 110.986 169.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -60.97 -48.36 82.16 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.501 1.046 . . . . 0.0 111.606 167.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.3 -48.11 76.91 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' HIS . . . . . 0.539 ' CD2' HD21 ' B' ' 28' ' ' LEU . 1.0 OUTLIER -64.62 -36.24 83.62 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 120.533 -1.354 . . . . 0.0 111.262 171.765 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.95 -47.96 64.22 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 125.913 1.72 . . . . 0.0 113.117 172.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -59.97 -32.52 70.9 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 169.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -76.83 -47.86 20.18 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.295 1.038 . . . . 0.0 113.36 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.82 -42.88 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-N 119.814 1.188 . . . . 0.0 110.773 170.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -77.71 -34.27 52.83 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.778 -1.202 . . . . 0.0 112.772 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.06 -33.33 50.99 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.546 1.546 . . . . 0.0 113.223 167.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.42 -43.11 74.05 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.603 -0.94 . . . . 0.0 112.358 169.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -59.06 -40.99 86.86 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 120.291 1.405 . . . . 0.0 112.17 173.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' SER . . . . . 0.524 ' HB3' ' CZ2' ' B' ' 15' ' ' TRP . 0.3 OUTLIER -66.86 -40.58 87.91 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 120.989 1.722 . . . . 0.0 114.087 171.035 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -56.87 -27.4 60.37 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.79 1.177 . . . . 0.0 111.947 169.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.14 -69.13 1.38 Allowed Glycine 0 C--N 1.339 0.714 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 164.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.32 -30.61 12.42 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -178.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.6 -14.33 58.89 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.986 1.714 . . . . 0.0 114.935 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -149.54 36.01 0.72 Allowed 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -167.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 69.4 mt -64.3 -2.45 2.18 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -79.22 -7.03 57.93 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.892 1.677 . . . . 0.0 114.217 174.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -133.55 -47.87 0.82 Allowed 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -174.004 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 50.22 14.93 0.16 Allowed 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 126.678 1.991 . . . . 0.0 116.36 -175.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -139.72 -60.92 0.54 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.179 -1.575 . . . . 0.0 111.281 -177.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.47 -38.27 90.49 Favored Glycine 0 N--CA 1.478 1.46 0 C-N-CA 124.098 0.856 . . . . 0.0 114.865 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.5 t -69.66 -24.97 63.69 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.418 1.109 . . . . 0.0 113.122 175.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -109.67 1.52 19.59 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 117.504 -1.236 . . . . 0.0 114.187 -174.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.11 -40.06 57.59 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 121.194 1.815 . . . . 0.0 114.265 -171.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.4 p -64.17 -44.08 93.17 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.646 1.179 . . . . 0.0 113.117 172.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 12.4 mt -66.69 -43.2 85.06 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 118.425 -0.798 . . . . 0.0 111.397 173.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 5.2 t -59.62 -40.42 87.5 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.67 1.188 . . . . 0.0 111.77 176.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.83 -54.83 40.35 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.644 0.778 . . . . 0.0 111.678 170.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 28.3 tp -52.27 -48.33 65.34 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.214 -0.929 . . . . 0.0 111.299 175.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -81.68 11.69 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 125.596 1.558 . . . . 0.0 114.292 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 40.5 t -134.18 -56.67 0.86 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.589 1.156 . . . . 0.0 111.112 175.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -74.14 -43.83 55.97 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.004 -1.06 . . . . 0.0 112.221 -175.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -84.94 -37.05 20.99 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.727 0.811 . . . . 0.0 111.723 173.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 8.6 mt -136.88 54.47 1.87 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 124.836 1.254 . . . . 0.0 113.187 -167.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -59.05 19.99 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 116.353 1.983 . . . . 0.0 116.353 177.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -41.55 136.59 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 126.197 1.799 . . . . 0.0 112.121 -178.186 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.57 128.86 43.91 Favored Pre-proline 0 CA--C 1.557 1.238 0 CA-C-O 118.396 -0.811 . . . . 0.0 111.826 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -44.88 -29.8 3.94 Favored 'Trans proline' 0 C--N 1.357 1.005 1 C-N-CA 125.705 4.27 . . . . 0.0 117.313 -169.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -45.87 -40.57 10.12 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.039 1.736 . . . . 0.0 112.735 171.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.68 -32.56 73.66 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.52 -1.362 . . . . 0.0 113.052 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -68.85 -47.87 64.88 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.595 1.088 . . . . 0.0 110.225 174.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -44.16 73.97 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.521 0.728 . . . . 0.0 110.683 174.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.411 HD22 ' CZ ' ' B' ' 35' ' ' TYR . 58.6 mt -59.41 -48.11 82.9 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.836 1.255 . . . . 0.0 112.941 173.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -46.67 82.11 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.9 1.227 . . . . 0.0 111.105 175.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 107' ' ' GLY . . . . . 0.404 ' HA3' HG11 ' B' ' 134' ' ' VAL . . . -55.47 -49.63 63.85 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 123.693 0.663 . . . . 0.0 113.793 173.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -56.89 -36.8 70.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.91 1.684 . . . . 0.0 111.945 176.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.34 -48.69 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 O-C-N 121.285 -0.884 . . . . 0.0 111.971 173.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 60.3 tp -53.51 -50.19 65.94 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.362 0.983 . . . . 0.0 111.229 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 22.9 m -61.78 -35.75 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.14 -38.22 82.46 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.175 0.898 . . . . 0.0 113.011 169.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 113' ' ' VAL . . . . . 0.552 HG11 ' HA ' ' B' ' 27' ' ' ALA . 2.1 m -74.58 -36.55 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.957 1.253 . . . . 0.0 112.902 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.57 -38.0 89.45 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.847 -0.533 . . . . 0.0 110.41 172.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.42 -35.41 77.48 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 171.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -60.68 -59.44 5.39 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.659 0.663 . . . . 0.0 110.823 168.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -76.24 -23.89 54.54 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -166.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -130.74 23.65 5.02 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.917 1.287 . . . . 0.0 113.317 -172.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -38.69 -37.0 0.51 Allowed Glycine 0 N--CA 1.48 1.616 0 N-CA-C 117.712 1.845 . . . . 0.0 117.712 -173.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -63.27 -46.59 86.11 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.247 1.419 . . . . 0.0 112.872 175.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -85.54 -23.93 27.47 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.057 1.743 . . . . 0.0 111.457 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -73.75 45.73 0.2 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.327 2.251 . . . . 0.0 112.643 169.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 3.8 t -52.61 150.57 9.1 Favored Pre-proline 0 N--CA 1.475 0.782 0 C-N-CA 124.549 1.14 . . . . 0.0 110.889 167.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . 0.275 13.4 Cg_exo -32.62 -49.65 0.36 Allowed 'Trans proline' 0 CA--C 1.55 1.285 0 C-N-CA 124.7 3.6 . . . . 0.0 117.953 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 125' ' ' PRO . . . . . 0.439 ' HA ' HD11 ' A' ' 34' ' ' LEU . 23.2 Cg_exo -65.82 -24.47 54.1 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.741 2.294 . . . . 0.0 116.469 -179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 1.6 t -59.75 -42.02 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 119.493 1.042 . . . . 0.0 111.685 178.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -62.96 -44.34 96.31 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.584 175.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.91 92.14 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.421 1.01 . . . . 0.0 111.586 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -56.44 -55.54 32.34 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.368 0.667 . . . . 0.0 112.44 173.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -57.82 -47.49 82.47 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 121.532 -0.73 . . . . 0.0 111.452 175.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -53.97 -34.94 61.16 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 117.355 -1.307 . . . . 0.0 113.028 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -75.51 -45.88 35.6 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 120.134 1.334 . . . . 0.0 113.378 173.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 1.3 p -62.21 -39.43 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 CA-C-N 120.835 1.652 . . . . 0.0 111.391 176.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.404 HG11 ' HA3' ' B' ' 107' ' ' GLY . 56.0 t -64.55 -39.53 85.92 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 C-N-CA 126.536 1.934 . . . . 0.0 111.351 174.051 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.48 96.22 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.843 1.201 . . . . 0.0 111.734 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.74 -48.67 76.0 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 174.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 2.0 t -62.43 -42.18 94.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 173.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.46 -48.73 80.48 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 120.258 1.39 . . . . 0.0 111.236 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -64.4 -33.0 74.86 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 172.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.81 66.71 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 119.523 1.056 . . . . 0.0 111.668 172.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.33 -24.59 63.93 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.391 -0.818 . . . . 0.0 111.365 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 142' ' ' ALA . . . . . 0.481 ' HA ' ' CE1' ' B' ' 145' ' ' TYR . . . -86.29 -1.07 57.17 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 169.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -60.0 -47.35 86.2 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 119.765 -1.834 . . . . 0.0 112.444 -175.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -57.91 -5.38 0.41 Allowed 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 145' ' ' TYR . . . . . 0.481 ' CE1' ' HA ' ' B' ' 142' ' ' ALA . 1.4 m-85 . . . . . 0 CA--C 1.55 0.946 0 C-N-CA 124.833 1.253 . . . . 0.0 111.877 178.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.369 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 2' ' ' LEU . . . . . 0.622 HD13 HG22 ' C' ' 73' ' ' VAL . 0.6 OUTLIER -152.02 170.95 18.65 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 122.572 2.442 . . . . 0.0 109.914 -177.855 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 168.93 -27.3 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.622 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -58.72 -161.07 0.02 OUTLIER 'Trans proline' 0 CA--C 1.545 1.072 0 C-N-CA 124.339 3.36 . . . . 0.0 115.189 172.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -45.86 -29.93 1.53 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.958 1.303 . . . . 0.0 114.285 177.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -47.45 -63.4 1.06 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 168.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -50.97 -45.07 60.76 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.039 1.336 . . . . 0.0 111.12 175.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 96.9 m -61.01 -49.58 76.83 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.606 0.762 . . . . 0.0 112.271 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.1 -38.24 90.09 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.121 0.969 . . . . 0.0 112.023 178.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 48.6 t -62.08 -47.91 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.744 1.218 . . . . 0.0 111.395 172.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -61.25 -44.66 96.89 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.317 0.962 . . . . 0.0 111.96 173.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.95 -50.24 74.03 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.389 0.676 . . . . 0.0 111.181 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.77 -57.51 12.44 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.76 0.824 . . . . 0.0 111.358 173.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -63.55 -23.97 67.61 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -175.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.81 -40.18 98.16 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.949 1.262 . . . . 0.0 113.358 170.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -70.66 -35.6 72.94 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.239 1.019 . . . . 0.0 111.304 170.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 98.6 t -64.9 -29.15 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.788 1.235 . . . . 0.0 113.248 176.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.37 123.28 1.02 Allowed Glycine 0 CA--C 1.542 1.74 0 C-N-CA 125.178 1.37 . . . . 0.0 113.817 176.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 81.16 -41.98 0.17 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 129.312 3.045 . . . . 0.0 114.28 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -77.13 -11.74 59.85 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.534 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -42.38 -52.94 4.42 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.615 1.966 . . . . 0.0 113.767 -178.43 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.04 -33.28 86.75 Favored Glycine 0 CA--C 1.527 0.79 0 O-C-N 121.829 -0.544 . . . . 0.0 114.219 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.68 -45.6 89.37 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.385 1.074 . . . . 0.0 109.927 173.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 24' ' ' TYR . . . . . 0.451 ' HA ' HG21 ' C' ' 108' ' ' THR . 14.4 m-30 -65.91 -37.37 85.91 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.88 -49.71 75.55 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 123.258 0.456 . . . . 0.0 112.367 168.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.27 -49.12 77.06 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.233 1.017 . . . . 0.0 112.479 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -38.26 90.45 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 121.743 -0.598 . . . . 0.0 112.386 174.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.42 98.87 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.646 1.112 . . . . 0.0 112.254 177.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 65.4 mt -62.82 -49.43 74.93 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.128 0.971 . . . . 0.0 111.62 174.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -57.22 -46.65 82.76 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.598 0.636 . . . . 0.0 112.069 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 ttm-85 -61.19 -46.21 91.4 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.979 0.912 . . . . 0.0 111.568 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 47.2 ttp -58.4 -51.02 71.6 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 118.896 -0.573 . . . . 0.0 111.05 173.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -52.31 -57.25 10.34 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.544 0.738 . . . . 0.0 111.882 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.453 HD11 ' HA ' ' D' ' 125' ' ' PRO . 0.6 OUTLIER -69.53 -36.03 76.02 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.265 0.484 . . . . 0.0 111.572 -174.582 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 10.1 t -75.01 -30.63 61.18 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.432 0.693 . . . . 0.0 112.844 -175.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' PHE . . . . . 0.516 ' CE2' HD22 ' C' ' 100' ' ' LEU . 98.5 m-85 -136.77 71.0 58.05 Favored Pre-proline 0 CA--C 1.536 0.428 0 C-N-CA 126.109 1.764 . . . . 0.0 109.338 -175.622 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -60.91 -13.28 26.18 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.114 2.542 . . . . 0.0 113.65 -173.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.2 -36.13 1.64 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 163.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -36.57 74.78 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 121.573 1.988 . . . . 0.0 113.804 173.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -17.6 29.17 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 120.778 1.626 . . . . 0.0 114.457 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.25 -20.78 60.04 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 176.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -69.59 14.83 0.09 Allowed 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 119.103 0.865 . . . . 0.0 113.1 178.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 9.7 t80 63.56 59.73 1.89 Allowed Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 126.985 2.114 . . . . 0.0 112.07 172.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -62.3 123.64 12.85 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.68 2.92 . . . . 0.0 110.618 -175.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -66.93 3.78 1.0 Allowed 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 175.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -140.91 150.28 42.97 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.696 1.998 . . . . 0.0 111.301 -167.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.14 95.3 3.07 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 166.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.506 HD13 ' H ' ' C' ' 48' ' ' LEU . 0.0 OUTLIER -59.72 1.87 0.09 Allowed 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 115.562 1.69 . . . . 0.0 115.562 172.184 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 5.4 m -59.32 155.17 15.08 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 127.445 2.298 . . . . 0.0 113.71 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -50.67 141.28 13.03 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 169.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.31 1.74 29.65 Favored Glycine 0 CA--C 1.541 1.679 0 N-CA-C 116.223 1.249 . . . . 0.0 116.223 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 11.5 t -60.25 136.13 57.94 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.986 1.393 . . . . 0.0 113.528 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.23 -20.53 66.1 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 171.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -82.02 -41.52 20.56 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.739 0.816 . . . . 0.0 111.313 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 91.5 t -62.73 -40.39 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.765 0.826 . . . . 0.0 112.048 -177.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -59.25 -42.8 91.98 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.305 0.957 . . . . 0.0 113.178 174.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.49 -44.51 72.57 Favored Glycine 0 N--CA 1.472 1.061 0 C-N-CA 123.843 0.735 . . . . 0.0 112.486 -178.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -61.22 -47.89 84.01 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 122.204 -0.586 . . . . 0.0 110.878 170.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.43 -49.59 56.29 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 124.385 0.993 . . . . 0.0 113.913 176.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -53.35 -46.39 69.52 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.548 1.139 . . . . 0.0 112.077 171.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -44.82 80.47 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 60.8 t -57.8 -43.63 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 120.057 1.299 . . . . 0.0 110.377 171.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 63' ' ' ALA . . . . . 0.534 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -64.88 -46.11 83.16 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 118.634 -0.698 . . . . 0.0 112.538 178.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.39 -37.65 78.52 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.842 1.201 . . . . 0.0 112.323 173.121 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 65' ' ' ALA . . . . . 0.491 ' HA ' HD21 ' C' ' 68' ' ' ASN . . . -61.3 -40.84 95.66 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.841 -0.537 . . . . 0.0 112.079 170.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -41.22 98.08 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 118.546 -0.74 . . . . 0.0 111.641 171.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 13.9 m -58.33 -42.92 87.88 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 120.298 1.408 . . . . 0.0 111.39 171.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 68' ' ' ASN . . . . . 0.491 HD21 ' HA ' ' C' ' 65' ' ' ALA . 0.1 OUTLIER -66.64 -31.26 71.83 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.892 1.224 . . . . 0.0 111.995 174.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.43 -41.82 75.81 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.336 172.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 81.9 t -65.23 -48.66 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 120.059 1.299 . . . . 0.0 111.119 174.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.46 -30.62 65.19 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.296 1.438 . . . . 0.0 113.071 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -129.37 35.02 4.29 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 124.675 1.19 . . . . 0.0 111.252 -176.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.622 HG22 HD13 ' C' ' 2' ' ' LEU 0.259 8.5 p -57.61 -25.48 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 O-C-N 119.951 -1.718 . . . . 0.0 113.779 -171.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -94.53 -11.78 28.89 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 170.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -124.52 5.96 8.28 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.118 2.167 . . . . 0.0 112.834 -167.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -78.86 -3.78 0.07 OUTLIER Pre-proline 0 CA--C 1.55 0.948 0 N-CA-C 118.963 2.949 . . . . 0.0 118.963 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -43.64 -34.12 5.21 Favored 'Trans proline' 0 C--N 1.362 1.286 0 CA-C-N 125.148 2.874 . . . . 0.0 117.06 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.08 6.0 9.23 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.575 1.15 . . . . 0.0 113.952 173.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.58 -29.91 61.51 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.334 -1.479 . . . . 0.0 112.156 171.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 80' ' ' LEU . . . . . 0.41 HD22 HD12 ' C' ' 83' ' ' LEU . 75.1 mt -80.88 1.65 29.92 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.458 0.703 . . . . 0.0 112.836 173.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 66.9 m -57.04 -31.08 64.79 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.63 -28.98 69.5 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 120.452 1.478 . . . . 0.0 112.854 172.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 83' ' ' LEU . . . . . 0.41 HD12 HD22 ' C' ' 80' ' ' LEU . 5.9 mt -82.65 -37.95 24.17 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.406 1.483 . . . . 0.0 110.845 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 18.9 m -66.67 -29.24 69.2 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 124.408 1.083 . . . . 0.0 112.466 167.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -68.04 -47.88 67.17 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.449 1.477 . . . . 0.0 111.038 169.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 7.2 tp -50.85 -52.49 41.04 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.439 0.696 . . . . 0.0 111.41 167.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -69.94 -50.72 39.28 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 118.185 -0.912 . . . . 0.0 112.132 -176.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.42 -16.42 54.48 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 120.955 1.707 . . . . 0.0 114.738 -175.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -124.08 14.86 9.15 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.903 1.281 . . . . 0.0 113.263 -175.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -140.78 -53.18 0.48 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 116.175 1.917 . . . . 0.0 116.175 175.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mp -131.03 -21.86 2.63 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 116.656 2.095 . . . . 0.0 116.656 -176.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 50.76 31.68 6.23 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.74 2.016 . . . . 0.0 114.704 171.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 t -54.97 135.45 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.225 1.41 . . . . 0.0 111.994 -173.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -51.87 133.59 38.2 Favored Pre-proline 0 CA--C 1.554 1.113 0 C-N-CA 122.995 0.518 . . . . 0.0 112.387 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -47.08 -22.59 2.25 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 124.891 3.728 . . . . 0.0 116.621 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 13.9 p -46.11 -47.45 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 119.882 1.219 . . . . 0.0 111.892 169.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -65.96 -23.71 66.65 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 120.046 1.294 . . . . 0.0 112.472 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 98' ' ' PHE . . . . . 0.486 ' C ' ' CD1' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -60.27 -52.94 63.14 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.131 1.332 . . . . 0.0 109.006 170.527 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -56.16 -34.38 66.11 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.797 0.839 . . . . 0.0 111.275 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 100' ' ' LEU . . . . . 0.516 HD22 ' CE2' ' C' ' 36' ' ' PHE . 66.7 mt -68.78 -53.25 22.84 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.723 0.809 . . . . 0.0 111.82 175.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -39.98 94.84 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.592 1.087 . . . . 0.0 112.126 -177.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 78.1 p -64.76 -42.86 94.82 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 119.002 0.819 . . . . 0.0 111.379 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -58.19 -50.07 74.83 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.524 0.73 . . . . 0.0 111.442 169.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 91.3 m -59.17 -37.5 77.51 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.226 -0.893 . . . . 0.0 113.137 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 46.0 mt -61.42 -55.46 31.11 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 117.988 -1.006 . . . . 0.0 111.805 172.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 15.2 mt -45.89 -44.73 14.78 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.149 0.886 . . . . 0.0 111.177 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.7 -48.42 88.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 118.339 -0.839 . . . . 0.0 113.144 173.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 108' ' ' THR . . . . . 0.451 HG21 ' HA ' ' C' ' 24' ' ' TYR . 0.2 OUTLIER -62.4 -44.03 97.41 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.86 1.664 . . . . 0.0 112.453 178.156 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.85 -46.53 89.04 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.063 0.545 . . . . 0.0 110.382 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.74 -27.78 59.92 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 173.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.71 -5.39 40.3 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 174.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -131.84 -23.72 2.24 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.659 1.725 . . . . 0.0 115.659 -173.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.8 mp -100.35 158.05 32.68 Favored Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 124.249 1.02 . . . . 0.0 110.342 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -53.47 -35.48 76.24 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 123.837 3.025 . . . . 0.0 114.802 -171.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 115' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' C' ' 117' ' ' PHE . . . -140.87 -56.78 0.51 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.023 1.329 . . . . 0.0 110.718 176.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 65.08 -13.9 0.11 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -177.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 117' ' ' PHE . . . . . 0.409 ' H ' ' C ' ' C' ' 115' ' ' ALA . 0.1 OUTLIER -126.29 17.88 7.67 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 126.904 2.081 . . . . 0.0 110.762 -173.55 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 1.1 p -54.34 163.37 1.31 Allowed Pre-proline 0 N--CA 1.488 1.445 0 C-N-CA 124.889 1.276 . . . . 0.0 110.37 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 119' ' ' PRO . . . . . 0.478 ' HA ' HG21 ' D' ' 33' ' ' VAL . 37.9 Cg_exo -51.9 -41.37 63.68 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 CA-C-N 120.465 1.202 . . . . 0.0 113.958 176.254 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.67 -49.93 14.94 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 122.84 0.456 . . . . 0.0 111.226 174.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 41.1 t -70.74 -40.51 76.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.096 -1.003 . . . . 0.0 111.493 -168.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.37 -45.32 93.68 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.464 1.029 . . . . 0.0 111.84 174.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.43 -55.37 32.51 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 122.865 0.466 . . . . 0.0 109.965 173.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 69.6 m -53.51 -51.21 63.57 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 126.436 1.894 . . . . 0.0 112.763 -176.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 9.7 mt -70.86 -44.61 66.02 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 117.979 -1.01 . . . . 0.0 112.553 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -62.81 -48.27 79.83 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.927 1.239 . . . . 0.0 111.667 -177.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -30.88 71.09 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 173.375 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -66.41 -53.08 39.91 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.789 1.177 . . . . 0.0 111.729 171.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 5.1 mt -59.08 -36.97 76.01 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.355 0.979 . . . . 0.0 110.324 175.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.59 -48.25 72.36 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.634 1.106 . . . . 0.0 112.128 167.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 131' ' ' SER . . . . . 0.482 ' CB ' HD11 ' C' ' 2' ' ' LEU . 20.9 m -60.05 -46.05 90.82 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 170.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 34.2 t -54.17 -51.49 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 119.356 0.98 . . . . 0.0 108.908 176.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 45.7 m -60.3 -50.16 74.75 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 125.918 1.687 . . . . 0.0 112.961 176.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 55.7 m -52.72 -41.45 63.98 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.719 1.599 . . . . 0.0 111.826 176.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 91.1 t -74.64 -38.92 46.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 122.713 0.405 . . . . 0.0 111.554 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.01 -23.77 64.13 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.475 -1.39 . . . . 0.0 113.863 174.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 60.8 p -95.39 -0.5 52.48 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.208 1.803 . . . . 0.0 111.789 171.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 CA--C 1.535 0.4 0 CA-C-O 122.464 1.126 . . . . 0.0 111.005 164.97 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.286 0.4 OUTLIER . . . . . 0 N--CA 1.518 2.927 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 t60 25.71 77.7 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 128.265 2.626 . . . . 0.0 115.456 -173.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.87 145.59 12.3 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.487 0.715 . . . . 0.0 112.028 -172.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.28 130.29 4.62 Favored Pre-proline 0 N--CA 1.482 1.14 0 CA-C-O 117.609 -1.186 . . . . 0.0 110.558 168.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -45.73 -43.38 18.89 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 124.346 3.364 . . . . 0.0 116.694 -169.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.53 -43.47 98.74 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 118.801 0.728 . . . . 0.0 112.346 176.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.98 -43.04 72.29 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.788 174.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -46.82 66.67 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 120.298 1.408 . . . . 0.0 110.66 170.275 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -46.74 87.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 119.24 0.927 . . . . 0.0 111.148 175.302 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.09 -55.99 24.91 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.011 0.924 . . . . 0.0 113.126 177.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.96 -49.32 80.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 119.117 0.872 . . . . 0.0 111.569 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -72.79 -38.79 67.12 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.258 0.935 . . . . 0.0 111.512 -168.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.45 -52.77 63.8 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 118.776 -0.63 . . . . 0.0 109.902 175.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.68 -37.36 87.05 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.683 0.674 . . . . 0.0 111.815 179.273 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 15' ' ' TRP . . . . . 0.526 ' CZ2' ' HB3' ' D' ' 72' ' ' SER . 1.1 t90 -54.25 -47.63 72.04 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.179 0.9 . . . . 0.0 112.028 171.27 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.85 -8.44 7.99 Favored Glycine 0 CA--C 1.541 1.665 0 C-N-CA 125.139 1.352 . . . . 0.0 115.808 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.03 -8.42 5.98 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.996 2.118 . . . . 0.0 111.666 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.7 135.92 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 125.148 1.379 . . . . 0.0 110.138 173.21 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -85.33 84.33 7.69 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 46.0 t -52.44 -36.65 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -165.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -72.3 -36.02 68.82 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 176.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -91.48 -49.84 6.11 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.793 -0.567 . . . . 0.0 110.97 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.09 -28.58 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 119.081 0.855 . . . . 0.0 112.41 169.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.66 -46.6 7.8 Favored Glycine 0 C--N 1.341 0.815 0 CA-C-N 119.418 1.008 . . . . 0.0 112.008 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.35 -39.83 93.27 Favored Glycine 0 N--CA 1.47 0.912 0 CA-C-N 118.158 0.979 . . . . 0.0 111.836 169.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.11 -52.33 59.71 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 124.521 1.128 . . . . 0.0 111.858 172.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 27' ' ' ALA . . . . . 0.553 ' HA ' HG11 ' D' ' 113' ' ' VAL . . . -61.75 -49.55 75.95 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.887 1.676 . . . . 0.0 112.436 -178.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 28' ' ' LEU . . . . . 0.539 HD21 ' CD2' ' D' ' 63' ' ' HIS . 23.4 tp -70.03 -45.6 66.84 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 119.025 -0.512 . . . . 0.0 111.459 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.15 -45.42 96.05 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 119.485 1.039 . . . . 0.0 112.263 176.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 30' ' ' ARG . . . . . 0.586 ' HA ' HG22 ' D' ' 33' ' ' VAL . 0.0 OUTLIER -59.87 -28.41 67.51 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 117.77 -1.109 . . . . 0.0 111.436 175.594 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -53.75 33.71 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 120.581 1.537 . . . . 0.0 110.645 175.014 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 32' ' ' LEU . . . . . 0.552 HD22 ' H ' ' D' ' 32' ' ' LEU . 1.0 OUTLIER -70.23 -31.05 68.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.894 0.478 . . . . 0.0 112.056 -179.121 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 33' ' ' VAL . . . . . 0.586 HG22 ' HA ' ' D' ' 30' ' ' ARG . 1.0 OUTLIER -79.8 -10.25 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 174.828 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 98.4 t -100.5 -44.13 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 120.688 1.585 . . . . 0.0 110.769 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 35' ' ' TYR . . . . . 0.414 ' CZ ' HD22 ' D' ' 105' ' ' LEU . 83.5 m-85 -125.07 69.68 59.43 Favored Pre-proline 0 CA--C 1.533 0.323 0 C-N-CA 124.563 1.145 . . . . 0.0 110.482 -178.088 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -44.23 -32.45 5.06 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.854 3.036 . . . . 0.0 115.858 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -50.93 -41.2 58.72 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.425 1.09 . . . . 0.0 113.139 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 75.3 p -59.88 -25.92 65.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.8 1.24 . . . . 0.0 112.585 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.3 -22.24 52.18 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 118.322 -0.847 . . . . 0.0 112.434 174.118 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -55.56 -32.99 63.46 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 121.246 1.839 . . . . 0.0 112.67 177.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -84.43 12.88 6.08 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 174.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 42' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' D' ' 43' ' ' GLU . 0.8 OUTLIER -62.39 -78.31 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.904 1.229 . . . . 0.0 111.213 172.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 43' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' D' ' 42' ' ' PHE . 41.3 mt-10 41.21 5.48 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.332 0 N-CA-C 117.977 2.584 . . . . 0.0 117.977 -165.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 92.1 p -142.14 -33.4 0.48 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.285 1.834 . . . . 0.0 114.106 -171.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 45' ' ' PHE . . . . . 0.454 ' CE2' HD21 ' D' ' 32' ' ' LEU . 3.7 m-85 -50.8 -31.05 15.84 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.696 1.999 . . . . 0.0 112.949 178.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.59 -50.09 3.76 Favored Glycine 0 N--CA 1.473 1.143 0 C-N-CA 125.47 1.509 . . . . 0.0 114.464 165.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -92.37 -118.32 0.08 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.628 1.171 . . . . 0.0 108.181 171.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.9 -19.45 0.05 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 127.509 2.324 . . . . 0.0 116.295 -177.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -50.32 -25.13 3.46 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 127.209 2.204 . . . . 0.0 114.894 -176.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -132.36 157.39 78.39 Favored Pre-proline 0 N--CA 1.468 0.444 0 C-N-CA 125.817 1.647 . . . . 0.0 111.642 168.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -53.08 -50.95 12.26 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 124.366 3.378 . . . . 0.0 114.893 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -62.52 -35.69 80.22 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.069 0.947 . . . . 0.0 112.409 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.72 -38.23 88.61 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 118.605 -0.712 . . . . 0.0 112.661 177.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 54' ' ' VAL . . . . . 0.494 HG21 HD23 ' D' ' 32' ' ' LEU . 0.6 OUTLIER -64.05 -38.08 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-N 120.892 1.678 . . . . 0.0 112.38 177.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -38.12 48.18 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.57 -15.85 78.87 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 123.651 0.643 . . . . 0.0 114.444 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -64.58 122.5 78.94 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-N 118.354 1.077 . . . . 0.0 112.787 -177.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -58.38 -35.47 98.65 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.266 2.644 . . . . 0.0 113.083 177.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -22.56 60.07 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 177.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 73.2 t -78.02 -36.03 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 CA-C-N 120.241 1.382 . . . . 0.0 110.941 169.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -60.77 -48.4 81.98 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.47 1.032 . . . . 0.0 111.698 167.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.18 76.53 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 63' ' ' HIS . . . . . 0.539 ' CD2' HD21 ' D' ' 28' ' ' LEU . 1.0 OUTLIER -64.51 -36.46 84.28 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 120.568 -1.333 . . . . 0.0 111.199 171.876 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.94 -48.0 64.07 Favored Glycine 0 N--CA 1.471 1.032 0 C-N-CA 125.984 1.755 . . . . 0.0 112.954 172.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -59.87 -32.6 70.87 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 170.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -76.94 -47.88 19.72 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.184 0.994 . . . . 0.0 113.285 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.71 -42.95 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.761 1.164 . . . . 0.0 110.931 170.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -77.6 -34.08 53.57 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.892 -1.13 . . . . 0.0 112.874 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.05 -33.6 51.28 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.568 1.556 . . . . 0.0 113.218 167.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.13 -43.11 75.04 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.607 -0.937 . . . . 0.0 112.47 169.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -58.96 -41.11 86.71 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.208 1.367 . . . . 0.0 112.325 173.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 72' ' ' SER . . . . . 0.526 ' HB3' ' CZ2' ' D' ' 15' ' ' TRP . 0.3 OUTLIER -66.73 -40.72 88.47 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 120.873 1.67 . . . . 0.0 114.055 171.055 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -56.87 -27.45 60.47 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.666 1.121 . . . . 0.0 111.929 169.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.12 -69.29 1.33 Allowed Glycine 0 C--N 1.338 0.646 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 164.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.31 -30.56 12.26 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -178.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.51 -14.42 58.89 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.994 1.718 . . . . 0.0 114.842 176.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -149.49 35.92 0.72 Allowed 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -167.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 69.7 mt -64.36 -2.41 2.2 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -79.29 -6.88 57.69 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.89 1.676 . . . . 0.0 114.181 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -133.67 -47.85 0.81 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -174.093 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 50.26 14.72 0.16 Allowed 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 -175.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -139.57 -60.84 0.55 Allowed 'General case' 0 N--CA 1.485 1.281 0 O-C-N 120.125 -1.609 . . . . 0.0 111.319 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.57 -38.34 91.08 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.01 0.814 . . . . 0.0 114.873 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.5 t -69.56 -25.14 63.85 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 118.429 1.114 . . . . 0.0 113.153 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -109.5 1.7 19.97 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -174.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.09 -40.15 57.72 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 121.072 1.76 . . . . 0.0 114.261 -171.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 4.3 p -64.09 -44.27 92.85 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.587 1.155 . . . . 0.0 113.039 172.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 12.4 mt -66.45 -43.35 85.81 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-O 118.567 -0.73 . . . . 0.0 111.41 173.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 5.2 t -59.5 -40.58 87.53 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.696 1.199 . . . . 0.0 111.737 176.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.75 -54.99 38.53 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.399 -0.813 . . . . 0.0 111.566 170.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 28.7 tp -52.12 -48.34 64.88 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.221 -0.924 . . . . 0.0 111.309 175.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -81.73 11.59 4.69 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 125.626 1.57 . . . . 0.0 114.23 -175.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 40.9 t -134.01 -56.71 0.87 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.696 1.198 . . . . 0.0 111.211 175.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -74.25 -43.71 55.9 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.128 -0.983 . . . . 0.0 112.175 -175.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -84.99 -37.07 20.87 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.658 0.783 . . . . 0.0 111.678 173.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 8.6 mt -136.84 54.49 1.87 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.906 1.282 . . . . 0.0 113.159 -166.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -59.14 20.1 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 116.169 1.914 . . . . 0.0 116.169 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -41.75 136.69 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 126.228 1.811 . . . . 0.0 112.01 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.51 128.86 43.35 Favored Pre-proline 0 CA--C 1.555 1.138 0 CA-C-O 118.353 -0.832 . . . . 0.0 111.898 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -45.05 -29.77 4.17 Favored 'Trans proline' 0 C--N 1.356 0.942 1 C-N-CA 125.717 4.278 . . . . 0.0 117.219 -169.596 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -45.73 -40.61 9.6 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.128 1.771 . . . . 0.0 112.755 171.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -32.69 73.89 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 120.468 -1.395 . . . . 0.0 112.926 178.041 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -68.7 -48.05 64.85 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.598 1.09 . . . . 0.0 110.224 174.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -44.15 73.64 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.556 0.742 . . . . 0.0 110.693 174.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 105' ' ' LEU . . . . . 0.414 HD22 ' CZ ' ' D' ' 35' ' ' TYR . 58.5 mt -59.56 -47.98 83.43 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.825 1.25 . . . . 0.0 112.852 173.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.12 -46.58 82.53 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.007 1.276 . . . . 0.0 111.077 175.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.61 -49.61 64.5 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 123.751 0.691 . . . . 0.0 113.688 173.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -57.04 -36.63 70.71 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.968 1.707 . . . . 0.0 111.902 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.43 -48.81 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 O-C-N 121.275 -0.891 . . . . 0.0 111.912 173.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 60.3 tp -53.4 -50.19 65.68 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.478 1.036 . . . . 0.0 111.29 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 23.2 m -61.92 -35.65 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.01 -38.3 82.27 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.193 0.906 . . . . 0.0 113.136 169.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 113' ' ' VAL . . . . . 0.553 HG11 ' HA ' ' D' ' 27' ' ' ALA . 2.1 m -74.48 -36.61 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 O-C-N 120.67 -1.269 . . . . 0.0 112.979 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.62 -38.03 89.59 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.263 0.483 . . . . 0.0 110.407 172.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.18 -35.45 77.18 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 171.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -60.77 -59.32 5.57 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.666 0.666 . . . . 0.0 110.876 168.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -76.29 -23.98 54.4 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -166.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -130.7 23.72 5.04 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.808 1.243 . . . . 0.0 113.253 -172.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -38.63 -37.1 0.51 Allowed Glycine 0 N--CA 1.48 1.623 0 N-CA-C 117.697 1.839 . . . . 0.0 117.697 -173.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -63.24 -46.64 85.99 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.294 1.438 . . . . 0.0 112.816 175.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -85.6 -23.89 27.39 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.104 1.762 . . . . 0.0 111.435 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -73.68 45.62 0.19 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.4 2.28 . . . . 0.0 112.63 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 3.8 t -52.55 150.51 9.08 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 124.649 1.18 . . . . 0.0 110.947 167.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . 0.276 13.4 Cg_exo -32.59 -49.49 0.36 Allowed 'Trans proline' 0 CA--C 1.549 1.229 0 C-N-CA 124.715 3.61 . . . . 0.0 118.06 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 125' ' ' PRO . . . . . 0.453 ' HA ' HD11 ' C' ' 34' ' ' LEU . 23.7 Cg_exo -65.81 -24.67 53.95 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.823 2.349 . . . . 0.0 116.371 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 1.6 t -59.66 -42.07 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.491 1.041 . . . . 0.0 111.704 178.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.1 -44.21 96.33 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 118.082 -0.961 . . . . 0.0 111.459 175.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.17 91.61 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.45 1.023 . . . . 0.0 111.617 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -56.28 -55.52 32.26 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.351 0.661 . . . . 0.0 112.469 173.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -57.87 -47.53 82.48 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 121.509 -0.745 . . . . 0.0 111.348 175.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -54.01 -34.88 61.08 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 117.459 -1.258 . . . . 0.0 113.002 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -75.42 -46.08 34.92 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 120.195 1.361 . . . . 0.0 113.357 173.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 1.3 p -62.1 -39.4 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 CA-C-N 120.906 1.685 . . . . 0.0 111.389 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 55.8 t -64.61 -39.51 85.87 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 C-N-CA 126.567 1.947 . . . . 0.0 111.375 174.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.46 96.21 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.7 1.136 . . . . 0.0 111.681 172.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.67 -48.69 75.45 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 174.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 2.0 t -62.33 -42.17 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 173.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.58 81.16 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 120.126 1.33 . . . . 0.0 111.27 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -64.38 -33.03 74.92 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 172.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.82 -51.89 66.42 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 119.515 1.052 . . . . 0.0 111.636 172.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.2 -24.81 64.08 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.458 -0.776 . . . . 0.0 111.387 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 142' ' ' ALA . . . . . 0.474 ' HA ' ' CE1' ' D' ' 145' ' ' TYR . . . -86.1 -1.05 57.03 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 169.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -59.96 -47.46 85.71 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 119.874 -1.766 . . . . 0.0 112.387 -176.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -57.91 -5.31 0.41 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 145' ' ' TYR . . . . . 0.474 ' CE1' ' HA ' ' D' ' 142' ' ' ALA . 1.4 m-85 -71.92 -7.28 47.63 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.774 1.23 . . . . 0.0 111.789 178.161 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 C--O 1.256 1.416 0 C-N-CA 125.683 1.593 . . . . 0.0 114.624 169.57 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.253 5.1 p . . . . . 0 N--CA 1.515 2.796 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.3 mt -137.09 172.71 12.6 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.66 1.584 . . . . 0.0 111.012 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.81 170.14 6.97 Favored Pre-proline 0 N--CA 1.475 0.811 0 C-N-CA 125.857 1.663 . . . . 0.0 110.682 -176.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -78.79 -40.8 0.27 Allowed 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.624 2.216 . . . . 0.0 112.931 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.1 -30.18 69.29 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -177.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.62 -43.47 98.79 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 118.801 0.728 . . . . 0.0 110.816 174.462 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -54.94 -49.75 70.59 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.934 0.894 . . . . 0.0 111.043 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.8 m -57.82 -44.28 86.32 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.806 0.842 . . . . 0.0 111.611 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -68.79 -35.37 76.95 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 177.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.0 t -65.9 -50.13 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 119.162 0.892 . . . . 0.0 110.992 172.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -58.64 -44.2 89.97 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.205 0.911 . . . . 0.0 111.334 176.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.12 -51.4 69.46 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.401 0.68 . . . . 0.0 111.825 175.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.06 -54.12 45.96 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.706 0.685 . . . . 0.0 112.254 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -61.92 -27.67 68.99 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.878 0.871 . . . . 0.0 112.916 -177.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.43 -36.89 93.98 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.218 0.913 . . . . 0.0 113.688 170.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -74.91 -35.0 62.22 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 118.438 1.119 . . . . 0.0 111.673 172.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.49 -51.03 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.144 0.978 . . . . 0.0 111.183 174.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.73 -133.79 9.24 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.274 0.94 . . . . 0.0 113.867 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.91 -22.25 47.65 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 178.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -70.73 -6.91 41.0 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 175.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.72 -43.28 57.88 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 120.772 -1.205 . . . . 0.0 112.67 176.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.44 -48.28 75.42 Favored Glycine 0 C--N 1.341 0.806 0 C-N-CA 123.461 0.553 . . . . 0.0 113.643 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -66.75 -35.3 79.79 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.05 0.925 . . . . 0.0 111.739 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -65.63 -35.75 81.71 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.265 0.938 . . . . 0.0 112.536 173.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.21 -46.59 70.33 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 119.43 1.013 . . . . 0.0 112.619 171.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.87 -49.73 74.59 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.934 0.894 . . . . 0.0 111.687 175.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -54.97 -48.84 72.71 Favored 'General case' 0 C--O 1.227 -0.107 0 C-N-CA 125.216 1.406 . . . . 0.0 111.898 170.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -62.53 -38.32 89.55 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.957 0.799 . . . . 0.0 112.852 -175.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.16 -51.51 66.13 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.283 1.033 . . . . 0.0 111.65 173.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -55.06 -53.24 58.39 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.639 -0.663 . . . . 0.0 111.698 173.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.6 mtt-85 -52.62 -40.43 62.74 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.74 1.216 . . . . 0.0 112.137 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.4 tmm? -59.9 -47.93 83.76 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.167 0.894 . . . . 0.0 112.058 173.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -61.64 -37.25 83.31 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.96 -35.45 14.69 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 178.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.5 m -71.16 -15.82 62.5 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.658 1.117 . . . . 0.0 113.197 176.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -142.43 79.37 15.61 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 125.201 1.4 . . . . 0.0 109.854 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -49.74 -27.83 16.19 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 123.946 3.097 . . . . 0.0 115.274 -178.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -32.71 9.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.013 1.725 . . . . 0.0 114.02 171.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -18.12 59.38 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 178.108 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -60.82 -27.4 68.03 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 120.409 1.459 . . . . 0.0 114.205 -176.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.7 t -57.51 -28.98 63.94 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 173.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -32.83 74.39 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-O 117.934 -1.031 . . . . 0.0 113.623 -175.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.3 t80 5.13 77.53 0.05 OUTLIER Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 128.869 2.868 . . . . 0.0 114.599 172.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -64.0 -57.06 0.38 Allowed 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 122.177 1.918 . . . . 0.0 111.846 -172.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -169.24 9.8 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 126.494 1.918 . . . . 0.0 113.567 174.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.12 140.74 41.95 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.758 -1.214 . . . . 0.0 112.996 -167.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.0 -42.21 76.77 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.2 mt 46.84 26.73 0.6 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.057 1.743 . . . . 0.0 114.652 -172.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.3 m -74.78 28.32 0.09 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.004 2.122 . . . . 0.0 115.19 -175.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 74.3 t60 62.14 136.37 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 127.93 2.492 . . . . 0.0 113.923 -166.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.82 16.78 64.26 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 124.052 0.834 . . . . 0.0 114.88 -177.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.7 m -55.54 112.01 1.03 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.97 2.108 . . . . 0.0 114.208 -170.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.83 -36.23 64.78 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -176.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -64.34 -35.64 81.54 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.552 -0.717 . . . . 0.0 112.644 175.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.09 -35.91 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 O-C-N 121.541 -0.725 . . . . 0.0 110.959 174.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -63.04 -49.05 76.1 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 119.152 0.887 . . . . 0.0 111.559 172.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.31 -52.7 47.58 Favored Glycine 0 N--CA 1.471 0.971 0 C-N-CA 124.35 0.976 . . . . 0.0 112.753 177.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -55.73 -43.77 76.88 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 117.95 0.875 . . . . 0.0 111.33 172.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.04 -50.61 54.51 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 124.401 1.001 . . . . 0.0 113.782 171.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -57.12 -41.36 78.88 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 119.187 1.493 . . . . 0.0 112.668 172.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -69.35 -45.05 70.35 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.988 0.813 . . . . 0.0 111.398 -178.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.9 t -53.86 -47.96 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.27 1.028 . . . . 0.0 110.567 168.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.95 -46.77 87.84 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.6 -42.57 99.65 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.017 0.927 . . . . 0.0 111.331 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.15 -40.18 80.69 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.756 0.823 . . . . 0.0 112.771 169.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.24 -44.1 84.69 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.574 -0.703 . . . . 0.0 111.604 173.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 66.4 m -57.79 -41.88 83.01 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.937 1.244 . . . . 0.0 112.025 172.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -58.26 -46.39 86.1 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.866 0.866 . . . . 0.0 111.404 170.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.7 -44.94 86.22 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.581 -0.699 . . . . 0.0 112.787 172.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -61.42 -45.13 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-N 120.059 1.3 . . . . 0.0 111.74 175.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.82 -23.99 66.8 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.978 1.311 . . . . 0.0 113.974 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -131.89 31.84 4.15 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.126 1.37 . . . . 0.0 111.679 -173.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.9 -18.8 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -164.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -102.75 -1.78 29.31 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.781 1.232 . . . . 0.0 114.056 173.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -127.75 -3.19 5.95 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.297 2.239 . . . . 0.0 113.084 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.414 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 22.5 ptt? -61.96 -19.05 0.49 Allowed Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 118.266 2.691 . . . . 0.0 118.266 -178.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -43.2 -24.4 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 124.523 3.482 . . . . 0.0 117.997 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -118.22 -22.29 7.79 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 167.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 76' ' ' MET . . . -63.44 -18.39 63.7 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 178.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.4 mt -101.44 3.99 40.9 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.213 1.005 . . . . 0.0 113.29 172.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.1 t -56.82 -36.57 70.1 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 120.101 1.318 . . . . 0.0 114.512 -169.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.68 -34.07 72.4 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.11 -0.994 . . . . 0.0 112.555 173.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.5 mt -76.57 -41.06 47.75 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.125 0.97 . . . . 0.0 110.575 174.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.2 m -59.14 -40.48 85.59 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.017 0.527 . . . . 0.0 112.109 175.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -60.99 -50.0 75.17 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.178 0.991 . . . . 0.0 112.234 172.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tp -49.45 -56.18 10.6 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.818 0.847 . . . . 0.0 110.929 171.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -69.79 -41.63 74.82 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.407 -0.808 . . . . 0.0 112.641 -174.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.29 -13.92 58.81 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -124.67 -47.75 1.82 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.692 1.133 . . . . 0.0 113.576 -172.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -65.39 -44.52 87.23 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.461 1.028 . . . . 0.0 113.277 -171.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 mp -130.5 1.84 4.55 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.761 1.224 . . . . 0.0 113.431 172.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.43 46.91 10.82 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 126.222 1.809 . . . . 0.0 112.829 -171.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.9 t -48.86 124.19 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 127.585 2.354 . . . . 0.0 111.414 -177.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -71.05 119.11 71.43 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 126.996 2.119 . . . . 0.0 112.797 -177.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -45.92 -32.61 9.69 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 124.868 3.712 . . . . 0.0 116.342 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.5 p -50.79 -38.88 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 O-C-N 120.779 -1.2 . . . . 0.0 112.898 172.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.15 -37.53 83.19 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.651 1.114 . . . . 0.0 111.859 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -43.09 88.03 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-O 119.215 -0.422 . . . . 0.0 109.993 173.094 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -55.3 -41.42 72.33 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.465 0.706 . . . . 0.0 110.198 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.01 -58.7 7.31 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.531 1.132 . . . . 0.0 110.623 177.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -29.72 70.58 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.557 -0.714 . . . . 0.0 112.107 -178.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.4 t -60.75 -51.12 70.68 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.595 1.558 . . . . 0.0 112.345 173.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -57.55 -41.87 81.84 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.686 -0.634 . . . . 0.0 110.99 171.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 84.3 m -67.34 -34.9 78.3 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.0 mt -62.62 -51.35 67.64 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.806 1.242 . . . . 0.0 110.284 170.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.7 mt -51.19 -45.32 61.78 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.238 0.615 . . . . 0.0 112.018 172.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.1 t -55.66 -48.0 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.57 0.748 . . . . 0.0 112.948 171.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -36.16 83.06 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 120.343 1.428 . . . . 0.0 113.563 176.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.66 -46.91 83.47 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 120.136 1.335 . . . . 0.0 110.107 172.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.59 -38.95 56.84 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.437 1.095 . . . . 0.0 113.482 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.53 -12.09 60.38 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 -177.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -127.49 -26.97 2.94 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -171.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.56 178.93 2.13 Favored Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 124.497 1.119 . . . . 0.0 110.513 170.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -54.68 -147.1 0.0 OUTLIER 'Trans proline' 0 CA--C 1.55 1.302 1 C-N-CA 125.554 4.169 . . . . 0.0 115.188 164.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.1 50.67 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.505 1.922 . . . . 0.0 114.335 170.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -46.57 -34.54 5.01 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 128.665 2.786 . . . . 0.0 115.071 -164.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -73.27 48.94 0.25 Allowed 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.714 0.769 . . . . 0.0 111.98 165.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.48 164.53 37.34 Favored Pre-proline 0 N--CA 1.48 1.067 0 O-C-N 120.642 -1.287 . . . . 0.0 108.985 171.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -57.47 -54.29 3.63 Favored 'Trans proline' 0 C--N 1.346 0.432 0 CA-C-N 120.846 1.338 . . . . 0.0 112.115 172.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.45 -28.57 64.06 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 -175.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.2 t -88.17 -43.7 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 118.44 -0.79 . . . . 0.0 111.039 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -65.39 -53.58 41.15 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.05 1.295 . . . . 0.0 111.356 175.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.56 -1.02 5.82 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.4 t -93.54 -61.59 1.53 Allowed 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.912 0.885 . . . . 0.0 110.074 164.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.12 -37.91 84.49 Favored 'General case' 0 C--N 1.335 -0.057 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -171.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.48 -51.19 70.93 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 119.809 1.186 . . . . 0.0 111.363 177.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 -28.46 51.4 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.843 0.857 . . . . 0.0 113.225 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -60.77 -56.84 16.38 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 119.615 1.098 . . . . 0.0 110.21 168.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.88 -37.67 85.45 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.81 0.732 . . . . 0.0 111.465 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.06 -44.91 83.51 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.726 1.148 . . . . 0.0 112.317 170.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 34.9 t -62.71 -42.57 99.71 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.311 0.96 . . . . 0.0 113.282 171.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 95.2 t -51.99 -49.81 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-O 118.186 -0.911 . . . . 0.0 109.567 171.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.2 t -58.56 -54.97 40.99 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 118.37 -0.824 . . . . 0.0 113.011 174.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 95.5 m -49.19 -35.74 17.88 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.91 1.232 . . . . 0.0 112.588 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 50.8 t -75.06 -50.66 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.319 1.047 . . . . 0.0 112.246 172.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.51 -10.34 7.68 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.094 1.758 . . . . 0.0 114.451 175.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 38.0 p -119.44 2.07 11.24 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 127.076 2.151 . . . . 0.0 111.444 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 CA--C 1.54 0.581 0 C-N-CA 125.203 1.401 . . . . 0.0 112.746 170.319 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.303 2.4 p . . . . . 0 N--CA 1.506 2.351 0 CA-C-O 116.966 -1.492 . . . . 0.0 112.692 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 71.5 t60 22.82 77.07 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 127.677 2.391 . . . . 0.0 116.081 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.23 161.25 19.71 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.664 0.786 . . . . 0.0 110.794 176.213 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.5 p -67.47 157.76 84.64 Favored Pre-proline 0 N--CA 1.481 1.114 0 O-C-N 121.431 -0.793 . . . . 0.0 109.849 158.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -53.65 -38.9 84.68 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 122.466 2.111 . . . . 0.0 113.409 171.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -70.67 -43.03 69.95 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.609 1.164 . . . . 0.0 111.853 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -61.09 -42.95 99.45 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.459 -0.776 . . . . 0.0 111.49 170.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -60.13 -48.26 82.45 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.789 0.722 . . . . 0.0 110.962 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 51.3 m -55.23 -42.17 73.03 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 118.65 -0.69 . . . . 0.0 111.801 174.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.75 -56.25 24.66 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.263 0.938 . . . . 0.0 112.468 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.53 -52.97 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 119.543 1.065 . . . . 0.0 111.738 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.2 m -71.29 -34.06 70.3 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.156 0.889 . . . . 0.0 112.408 -170.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.56 77.59 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 120.113 1.324 . . . . 0.0 112.185 173.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -67.9 -42.42 81.17 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.402 -0.811 . . . . 0.0 110.532 172.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -51.27 -44.21 61.74 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.384 -0.822 . . . . 0.0 111.137 168.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.95 -12.45 15.14 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 127.077 2.275 . . . . 0.0 116.915 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.37 -2.13 7.5 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.492 1.646 . . . . 0.0 114.288 165.477 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.22 139.84 17.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 123.903 0.881 . . . . 0.0 111.862 -178.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -84.7 77.72 10.0 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.71 0.804 . . . . 0.0 109.523 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 62.8 t -48.51 -36.21 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 C-N-CA 124.573 1.149 . . . . 0.0 113.631 -170.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -83.61 -10.78 58.01 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.476 1.91 . . . . 0.0 115.914 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -114.11 -52.49 2.73 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.752 1.221 . . . . 0.0 110.42 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -32.32 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 121.216 -0.927 . . . . 0.0 111.904 172.516 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.96 -45.36 20.96 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 119.323 0.965 . . . . 0.0 112.01 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.69 -43.22 96.46 Favored Glycine 0 N--CA 1.469 0.888 0 CA-C-N 117.683 0.741 . . . . 0.0 112.188 172.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.0 -35.06 69.34 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 117.384 -1.293 . . . . 0.0 112.199 174.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.69 79.47 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 122.093 2.224 . . . . 0.0 111.309 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 tp -72.05 -44.26 63.62 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 122.345 -0.222 . . . . 0.0 111.198 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.54 -49.27 78.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 120.56 -1.337 . . . . 0.0 114.062 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -30.93 61.8 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 125.555 1.542 . . . . 0.0 112.142 175.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tt -78.12 -39.94 39.68 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.261 1.424 . . . . 0.0 112.852 172.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 53.9 mt -70.41 -34.15 72.18 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.728 -1.233 . . . . 0.0 110.72 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 22.6 m -75.96 -6.89 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.17 -4.79 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-N 121.17 1.804 . . . . 0.0 111.855 169.122 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 49.85 37.71 0.44 Allowed Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 125.652 1.581 . . . . 0.0 113.956 -166.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -81.92 178.04 6.82 Favored 'Trans proline' 0 C--N 1.359 1.079 0 C-N-CA 122.081 1.854 . . . . 0.0 110.271 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -40.22 -35.64 0.43 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 116.098 1.888 . . . . 0.0 116.098 176.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.427 HG22 ' CG ' ' B' ' 102' ' ' ASN . 24.2 p -54.69 -25.07 24.87 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.689 1.596 . . . . 0.0 114.411 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -46.56 -25.99 0.8 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.407 2.283 . . . . 0.0 114.91 173.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -50.95 -30.49 15.04 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -86.59 7.55 25.84 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -45.98 -39.79 9.49 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.89 1.676 . . . . 0.0 113.529 170.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.74 -22.33 57.49 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 16.7 t -97.31 -44.88 6.71 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.136 0.974 . . . . 0.0 112.181 173.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -61.76 -37.33 83.88 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.21 -106.18 2.96 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.56 1.076 . . . . 0.0 112.802 174.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.25 84.48 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.441 1.497 . . . . 0.0 112.655 177.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 tt -137.32 -19.03 1.26 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.964 1.706 . . . . 0.0 113.439 -174.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.7 t -54.93 -23.9 21.18 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.061 1.345 . . . . 0.0 114.37 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 32.4 p -124.95 154.51 71.13 Favored Pre-proline 0 N--CA 1.474 0.735 0 C-N-CA 124.507 1.123 . . . . 0.0 111.299 167.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -55.88 -42.73 64.09 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.099 2.532 . . . . 0.0 114.004 173.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.04 -37.56 83.05 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.445 0.698 . . . . 0.0 111.801 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.37 -54.72 36.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.589 0.356 . . . . 0.0 111.072 170.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -37.35 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -171.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -71.34 -27.08 63.13 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.457 1.026 . . . . 0.0 113.61 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.6 -1.13 59.02 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 124.388 0.994 . . . . 0.0 114.684 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -74.39 130.38 82.26 Favored Pre-proline 0 CA--C 1.555 1.135 0 C-N-CA 125.342 1.457 . . . . 0.0 112.887 -170.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -67.93 -37.3 15.7 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 123.787 2.991 . . . . 0.0 113.659 -177.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -66.11 -45.56 80.73 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 121.212 -0.93 . . . . 0.0 110.777 174.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 83.6 t -62.03 -46.45 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.724 0.81 . . . . 0.0 111.557 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -66.05 -38.43 88.34 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 119.614 1.097 . . . . 0.0 113.043 176.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.7 -45.25 90.9 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.399 1.0 . . . . 0.0 112.793 173.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -61.85 -35.91 79.66 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.236 -0.915 . . . . 0.0 111.08 173.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.68 -50.37 63.77 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.385 1.469 . . . . 0.0 114.066 166.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -58.61 -42.34 87.97 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.675 1.238 . . . . 0.0 111.508 173.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -63.19 -53.85 46.74 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.971 0.908 . . . . 0.0 112.593 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 18.3 m -57.74 -44.9 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 CA-C-N 119.394 0.997 . . . . 0.0 111.181 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 tt -71.94 -35.66 69.67 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.476 -0.765 . . . . 0.0 112.242 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.61 -42.04 93.95 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.333 0.968 . . . . 0.0 112.303 170.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.32 85.02 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.854 -0.792 . . . . 0.0 113.064 171.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -60.57 -35.59 76.44 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.514 -1.366 . . . . 0.0 111.331 170.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -41.42 87.61 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.448 1.099 . . . . 0.0 113.219 171.17 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -57.45 -32.53 67.01 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.453 1.024 . . . . 0.0 111.86 170.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.22 -63.6 4.76 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 123.725 0.679 . . . . 0.0 111.68 166.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.61 -35.15 40.56 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.41 -28.45 62.0 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 176.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.8 49.18 1.49 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.082 1.753 . . . . 0.0 111.424 -169.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.33 -21.54 62.17 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.753 -1.217 . . . . 0.0 113.912 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.18 -19.65 65.47 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 174.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -97.8 -65.84 0.94 Allowed 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 118.981 0.809 . . . . 0.0 112.662 -175.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 46.15 18.12 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 116.969 2.211 . . . . 0.0 116.969 -173.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -138.21 -66.09 0.5 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.269 1.428 . . . . 0.0 111.299 176.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.37 -35.02 77.1 Favored Glycine 0 N--CA 1.479 1.551 0 CA-C-N 118.882 0.764 . . . . 0.0 113.892 177.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.3 p -67.91 -13.82 62.47 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.327 1.851 . . . . 0.0 114.853 173.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -128.9 -4.33 5.13 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.526 1.53 . . . . 0.0 113.931 -174.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.99 -40.9 70.56 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 120.169 1.35 . . . . 0.0 113.414 -173.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 25.0 p -64.55 -36.59 84.72 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.754 1.221 . . . . 0.0 113.017 173.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 71.4 mt -77.17 -37.16 54.32 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.325 1.05 . . . . 0.0 112.04 176.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 4.3 t -61.27 -44.67 96.85 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.521 1.128 . . . . 0.0 110.304 171.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.85 -49.27 78.37 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.244 -0.91 . . . . 0.0 112.343 170.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 49.4 tp -55.64 -53.92 50.55 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.477 1.035 . . . . 0.0 112.116 177.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -82.53 -19.95 37.62 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -170.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 49.5 t -90.68 -64.54 1.12 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.732 0.813 . . . . 0.0 112.074 169.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -75.99 -40.49 53.6 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.49 -1.381 . . . . 0.0 113.223 -169.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.4 -41.49 21.85 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 56.4 mt -114.63 -24.19 8.88 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -171.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 34.11 46.95 0.17 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.792 2.437 . . . . 0.0 114.915 -169.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.58 150.37 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 120.879 -1.138 . . . . 0.0 110.612 -178.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -64.51 141.34 98.21 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 123.614 0.765 . . . . 0.0 112.75 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.65 -28.92 44.11 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.698 2.266 . . . . 0.0 114.108 -171.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -67.35 -27.45 67.14 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.847 -1.158 . . . . 0.0 112.656 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 102' ' ' ASN . . . . . 0.427 ' CG ' HG22 ' B' ' 38' ' ' THR . 49.7 t-20 -55.53 -49.99 71.18 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.169 1.387 . . . . 0.0 112.475 173.028 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -59.29 -46.31 88.89 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.657 1.183 . . . . 0.0 111.384 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -60.54 -44.93 95.55 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.746 0.818 . . . . 0.0 111.698 176.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.35 -46.2 91.22 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 118.567 -0.73 . . . . 0.0 112.007 175.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.99 -41.17 77.92 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.682 1.128 . . . . 0.0 109.82 176.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 107' ' ' GLY . . . . . 0.473 ' CA ' HG11 ' B' ' 134' ' ' VAL . . . -57.45 -55.44 30.44 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 115.029 0.771 . . . . 0.0 115.029 174.035 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.59 -40.34 94.43 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 118.239 1.02 . . . . 0.0 111.12 177.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 98.0 t -66.72 -36.22 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 O-C-N 121.122 -0.986 . . . . 0.0 111.746 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 14.1 tp -54.45 -55.28 30.45 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.726 1.148 . . . . 0.0 110.602 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.62 -30.08 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.043 0.838 . . . . 0.0 112.873 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 78.3 m -70.76 -46.93 62.05 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 174.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 13.7 p -65.16 -36.53 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 120.012 1.278 . . . . 0.0 111.653 174.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 68.5 mt -58.76 -47.43 84.7 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.506 1.048 . . . . 0.0 110.815 171.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.5 -34.99 77.97 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 175.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -65.49 -59.1 4.35 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.769 1.168 . . . . 0.0 112.005 169.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -65.39 -21.99 66.74 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -168.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -131.27 43.55 3.07 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.152 1.781 . . . . 0.0 111.228 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.3 -32.54 37.16 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.075 1.322 . . . . 0.0 116.202 -176.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -71.32 -8.83 56.32 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 118.783 1.291 . . . . 0.0 114.34 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -130.45 5.13 4.74 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.102 1.761 . . . . 0.0 113.193 -170.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.46 33.47 0.05 Allowed 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 -169.129 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 17.6 p -43.65 148.51 0.71 Allowed Pre-proline 0 N--CA 1.486 1.344 0 C-N-CA 125.139 1.376 . . . . 0.0 113.983 -167.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -45.66 -48.16 12.53 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 121.911 1.741 . . . . 0.0 114.426 174.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.07 -30.31 56.21 Favored 'Trans proline' 0 C--N 1.353 0.801 0 CA-C-O 116.9 -1.375 . . . . 0.0 114.043 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -40.21 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 122.683 2.492 . . . . 0.0 112.589 177.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -60.59 -54.23 47.95 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.948 0.499 . . . . 0.0 110.052 172.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.1 -36.8 82.8 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -177.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.42 -53.28 45.37 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.552 1.141 . . . . 0.0 111.528 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -56.07 -47.55 77.75 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 118.962 -0.542 . . . . 0.0 111.154 169.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -56.48 -40.31 74.69 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.78 0.718 . . . . 0.0 112.706 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -71.41 -33.1 69.14 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 120.014 1.279 . . . . 0.0 113.773 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 62.4 t -63.69 -50.87 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 CA-C-N 119.686 1.13 . . . . 0.0 109.664 168.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.473 HG11 ' CA ' ' B' ' 107' ' ' GLY . 12.0 t -61.86 -44.05 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 125.949 1.7 . . . . 0.0 112.725 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.03 97.27 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.398 0.999 . . . . 0.0 111.789 175.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.13 -44.99 88.57 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 123.319 0.485 . . . . 0.0 112.577 168.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.59 -44.18 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.731 1.212 . . . . 0.0 113.323 175.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.69 93.69 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.2 0.909 . . . . 0.0 110.679 176.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -61.35 -40.19 93.38 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.418 0.687 . . . . 0.0 112.105 174.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.63 -45.12 91.7 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.217 1.007 . . . . 0.0 112.606 173.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.77 -24.43 63.51 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.605 -1.309 . . . . 0.0 112.332 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.63 -11.79 59.91 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 167.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -57.15 -43.7 82.75 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.162 -1.586 . . . . 0.0 113.474 -173.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -65.34 -7.84 15.44 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 176.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 . . . . . 0 N--CA 1.475 0.818 0 CA-C-N 120.343 1.429 . . . . 0.0 112.256 175.828 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.258 5.0 p . . . . . 0 N--CA 1.514 2.768 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 45.5 mt -137.13 172.61 12.75 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.716 1.606 . . . . 0.0 111.077 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.81 170.25 6.82 Favored Pre-proline 0 N--CA 1.475 0.787 0 C-N-CA 125.81 1.644 . . . . 0.0 110.654 -176.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -78.95 -40.77 0.26 Allowed 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 122.525 2.15 . . . . 0.0 112.837 176.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.09 -30.4 69.57 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -177.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -43.69 98.4 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.869 0.759 . . . . 0.0 110.743 174.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -54.72 -49.57 70.43 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.798 0.839 . . . . 0.0 111.137 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 64.5 m -58.06 -43.86 87.14 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.614 0.766 . . . . 0.0 111.538 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -69.11 -35.03 76.0 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.72 -0.613 . . . . 0.0 112.646 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.26 -49.96 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 119.055 0.843 . . . . 0.0 110.997 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -58.77 -44.13 90.57 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.059 0.845 . . . . 0.0 111.351 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.24 -51.43 69.39 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.267 0.627 . . . . 0.0 111.862 175.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.02 -53.93 48.61 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.796 0.726 . . . . 0.0 112.346 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -62.25 -27.46 69.02 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.663 0.785 . . . . 0.0 112.861 -177.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.39 -36.89 93.99 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.186 0.898 . . . . 0.0 113.708 170.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -74.92 -35.09 62.2 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 118.354 1.077 . . . . 0.0 111.74 172.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.29 -50.88 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.957 0.903 . . . . 0.0 111.183 174.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.67 -133.87 9.06 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.223 0.916 . . . . 0.0 113.946 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.85 -22.19 46.66 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -70.7 -7.24 43.2 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 175.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.49 -43.4 55.55 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.813 -1.179 . . . . 0.0 112.716 176.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.29 -48.34 75.44 Favored Glycine 0 C--N 1.341 0.81 0 C-N-CA 123.436 0.541 . . . . 0.0 113.594 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -66.76 -35.22 79.6 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.149 0.975 . . . . 0.0 111.814 177.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -65.84 -35.62 81.16 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.212 0.914 . . . . 0.0 112.538 173.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.1 -46.78 69.26 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-N 119.27 0.941 . . . . 0.0 112.54 171.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.56 75.17 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.894 0.878 . . . . 0.0 111.578 175.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -55.02 -48.85 72.82 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 125.33 1.452 . . . . 0.0 111.976 170.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.417 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -62.76 -37.98 88.76 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.784 0.72 . . . . 0.0 112.772 -175.52 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.36 -51.54 65.46 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.352 1.061 . . . . 0.0 111.661 173.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -54.97 -53.27 57.82 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.635 -0.666 . . . . 0.0 111.597 173.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 78.4 mtt-85 -52.4 -40.42 62.08 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.716 1.206 . . . . 0.0 112.295 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 7.4 tmm? -60.27 -47.54 85.56 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.967 0.803 . . . . 0.0 112.004 173.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -61.94 -37.71 85.73 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.348 0.977 . . . . 0.0 113.575 -177.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.27 -35.5 15.26 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 178.373 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 63.3 m -71.1 -15.98 62.55 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.821 1.192 . . . . 0.0 113.181 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -142.32 79.45 15.74 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 125.171 1.389 . . . . 0.0 109.737 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -49.69 -28.02 16.37 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 123.958 3.105 . . . . 0.0 115.273 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.89 -32.09 8.34 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.947 1.699 . . . . 0.0 114.131 171.49 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.56 -18.11 58.85 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 177.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -60.71 -27.67 68.07 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 120.485 1.493 . . . . 0.0 114.202 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 13.9 t -57.31 -28.95 63.52 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 173.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -32.9 74.47 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -175.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 14.4 t80 5.22 77.55 0.05 OUTLIER Pre-proline 0 N--CA 1.48 1.031 0 C-N-CA 128.732 2.813 . . . . 0.0 114.548 172.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -64.15 -56.91 0.39 Allowed 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.109 1.872 . . . . 0.0 111.867 -172.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -169.36 10.06 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 126.548 1.939 . . . . 0.0 113.597 173.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.29 140.87 41.73 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 120.771 -1.205 . . . . 0.0 112.997 -167.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.14 -42.28 76.19 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 mt 47.07 26.45 0.63 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 126.035 1.734 . . . . 0.0 114.603 -172.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 62.2 m -74.45 28.14 0.08 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.162 2.185 . . . . 0.0 115.26 -175.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 74.4 t60 62.13 136.31 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.984 2.513 . . . . 0.0 113.949 -166.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.78 16.92 64.36 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.113 0.864 . . . . 0.0 114.907 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 48.8 m -55.48 112.04 1.03 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.884 2.074 . . . . 0.0 114.264 -170.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.69 -36.44 64.66 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -176.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.17 -35.78 81.9 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.511 -0.743 . . . . 0.0 112.753 175.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.97 -35.95 66.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 O-C-N 121.469 -0.769 . . . . 0.0 110.94 174.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -63.14 -48.97 76.21 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 119.236 0.925 . . . . 0.0 111.586 172.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.25 -52.64 48.14 Favored Glycine 0 N--CA 1.472 1.06 0 C-N-CA 124.232 0.92 . . . . 0.0 112.796 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -55.91 -43.56 77.43 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 117.828 0.814 . . . . 0.0 111.472 172.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.12 -50.53 55.14 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 124.353 0.978 . . . . 0.0 113.798 171.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -57.05 -41.5 78.8 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.146 1.473 . . . . 0.0 112.753 171.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -69.31 -44.92 70.77 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.805 0.729 . . . . 0.0 111.501 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 78.6 t -53.95 -48.0 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.309 1.043 . . . . 0.0 110.449 168.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.89 -46.73 88.13 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.71 -42.71 99.79 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.126 0.97 . . . . 0.0 111.363 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.01 -40.38 80.64 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.744 0.817 . . . . 0.0 112.893 169.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -44.14 85.34 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.55 -0.719 . . . . 0.0 111.7 172.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 65.4 m -57.6 -41.91 82.16 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.072 1.305 . . . . 0.0 112.013 172.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -58.32 -46.33 86.38 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.878 0.871 . . . . 0.0 111.444 170.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.65 -45.04 86.0 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 118.585 -0.722 . . . . 0.0 112.742 172.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 79.8 t -61.4 -45.09 99.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 120.104 1.32 . . . . 0.0 111.63 175.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.9 -23.91 66.74 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.003 1.321 . . . . 0.0 113.992 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -132.16 32.07 4.04 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.176 1.39 . . . . 0.0 111.671 -173.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.06 -18.83 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -164.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -102.52 -1.99 29.44 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.712 1.205 . . . . 0.0 114.019 173.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -127.74 -3.17 5.96 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 127.39 2.276 . . . . 0.0 113.096 -176.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 76' ' ' MET . . . . . 0.411 ' HA ' ' HB3' ' C' ' 79' ' ' ALA . 22.5 ptt? -62.17 -18.97 0.48 Allowed Pre-proline 0 CA--C 1.545 0.78 0 N-CA-C 118.323 2.712 . . . . 0.0 118.323 -178.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -43.22 -24.3 0.51 Allowed 'Trans proline' 0 C--N 1.362 1.286 0 C-N-CA 124.395 3.397 . . . . 0.0 118.063 174.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -118.32 -22.11 7.81 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 167.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 79' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' C' ' 76' ' ' MET . . . -63.52 -18.73 64.13 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 120.497 1.499 . . . . 0.0 114.925 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 54.1 mt -101.23 3.94 41.39 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.212 1.005 . . . . 0.0 113.204 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 31.4 t -56.85 -36.56 70.16 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 120.193 1.36 . . . . 0.0 114.523 -169.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.7 -34.03 72.36 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.072 -1.018 . . . . 0.0 112.547 173.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 9.5 mt -76.56 -41.28 47.07 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.027 0.931 . . . . 0.0 110.518 174.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 5.2 m -58.91 -40.5 84.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.403 0.547 . . . . 0.0 112.156 175.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.01 -50.46 73.3 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.139 0.976 . . . . 0.0 112.071 172.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tp -49.02 -56.34 9.26 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.751 0.82 . . . . 0.0 111.02 171.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -69.23 -42.99 74.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 118.406 -0.807 . . . . 0.0 112.437 -174.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.19 -14.12 59.27 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -124.51 -47.69 1.84 Allowed 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.633 1.106 . . . . 0.0 113.691 -172.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -65.44 -44.46 87.25 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-N 119.442 1.019 . . . . 0.0 113.141 -171.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 mp -130.52 1.68 4.53 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.723 1.209 . . . . 0.0 113.459 172.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.88 47.07 12.31 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 126.272 1.829 . . . . 0.0 112.776 -171.55 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 60.8 t -49.33 123.99 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 127.573 2.349 . . . . 0.0 111.376 -176.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -70.94 119.18 71.68 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 126.927 2.091 . . . . 0.0 112.672 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -46.23 -32.15 10.06 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 124.852 3.701 . . . . 0.0 116.412 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 8.8 p -51.21 -38.71 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 O-C-N 120.717 -1.239 . . . . 0.0 112.753 172.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.17 -37.61 83.52 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.564 1.074 . . . . 0.0 111.598 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -43.17 87.71 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.128 172.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -55.02 -41.91 71.92 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.455 0.702 . . . . 0.0 110.348 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.48 -59.17 5.83 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.652 1.181 . . . . 0.0 110.764 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -30.16 71.17 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.557 -0.714 . . . . 0.0 112.221 -178.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 47.9 t -60.42 -51.23 70.36 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.43 1.492 . . . . 0.0 112.458 173.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -57.26 -42.14 81.01 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.713 -0.617 . . . . 0.0 111.065 171.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 104' ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 83.7 m -67.22 -34.83 78.3 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 178.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.87 -51.18 68.0 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.534 1.134 . . . . 0.0 110.077 170.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 5.7 mt -51.22 -44.82 61.75 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.373 0.669 . . . . 0.0 111.994 172.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.05 -48.3 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.718 0.807 . . . . 0.0 112.858 171.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.61 -36.29 83.31 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 120.171 1.35 . . . . 0.0 113.634 176.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.59 -47.14 82.69 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 120.076 1.307 . . . . 0.0 110.15 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.44 -39.06 56.64 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.326 1.05 . . . . 0.0 113.572 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.37 -11.85 60.36 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 116.512 2.041 . . . . 0.0 116.512 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -127.69 -27.05 2.88 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -171.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.67 179.17 2.03 Favored Pre-proline 0 CA--C 1.56 1.359 0 C-N-CA 124.348 1.059 . . . . 0.0 110.412 170.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -54.71 -147.23 0.0 OUTLIER 'Trans proline' 0 CA--C 1.551 1.335 1 C-N-CA 125.65 4.233 . . . . 0.0 115.14 164.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.01 50.58 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.488 1.915 . . . . 0.0 114.431 170.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -46.65 -34.49 5.09 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 128.676 2.79 . . . . 0.0 115.113 -164.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -73.43 48.91 0.26 Allowed 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 121.859 0.838 . . . . 0.0 112.012 165.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.1 164.54 34.94 Favored Pre-proline 0 N--CA 1.478 0.956 0 O-C-N 120.532 -1.355 . . . . 0.0 108.993 170.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -57.15 -55.08 2.84 Favored 'Trans proline' 0 C--N 1.346 0.435 0 CA-C-N 120.85 1.339 . . . . 0.0 112.049 172.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.74 -29.33 65.54 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -175.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 61.5 t -87.53 -43.26 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-O 118.448 -0.787 . . . . 0.0 111.021 -177.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -65.77 -53.35 41.65 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 120.089 1.313 . . . . 0.0 111.205 175.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.7 -1.67 7.49 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 16.3 t -92.85 -61.6 1.55 Allowed 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.975 0.91 . . . . 0.0 110.257 164.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.12 -37.95 84.61 Favored 'General case' 0 C--N 1.338 0.066 0 CA-C-O 117.866 -1.064 . . . . 0.0 113.85 -171.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.54 -51.21 70.82 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.955 1.252 . . . . 0.0 111.277 178.079 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -28.74 53.44 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -60.58 -57.19 13.78 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.44 1.018 . . . . 0.0 110.157 168.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.68 -38.0 86.18 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.87 0.759 . . . . 0.0 111.383 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.93 -44.48 82.53 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.736 1.153 . . . . 0.0 112.288 170.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 35.3 t -63.02 -42.4 99.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.165 0.893 . . . . 0.0 113.164 171.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 93.5 t -52.07 -49.98 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-O 118.345 -0.836 . . . . 0.0 109.559 171.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 33.3 t -58.52 -54.85 42.39 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-O 118.251 -0.881 . . . . 0.0 112.891 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 93.3 m -49.43 -35.49 19.4 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.784 1.175 . . . . 0.0 112.474 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 49.7 t -75.43 -50.38 24.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 124.219 1.007 . . . . 0.0 112.176 172.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -10.26 7.67 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.124 1.77 . . . . 0.0 114.601 175.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 38.6 p -119.55 2.23 11.2 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 127.002 2.121 . . . . 0.0 111.439 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 CA--C 1.54 0.576 0 C-N-CA 125.272 1.429 . . . . 0.0 112.71 170.342 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.305 2.4 p . . . . . 0 N--CA 1.505 2.322 0 CA-C-O 116.924 -1.512 . . . . 0.0 112.773 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 71.3 t60 22.79 77.07 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 127.633 2.373 . . . . 0.0 116.095 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.22 161.37 19.44 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.452 0.701 . . . . 0.0 110.854 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 6.5 p -67.56 157.75 84.89 Favored Pre-proline 0 N--CA 1.481 1.08 0 O-C-N 121.444 -0.785 . . . . 0.0 109.832 158.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -53.66 -38.98 84.84 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.456 2.104 . . . . 0.0 113.38 172.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -70.56 -42.94 70.46 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.508 1.123 . . . . 0.0 112.002 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -61.07 -43.0 99.54 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.516 -0.74 . . . . 0.0 111.387 170.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -60.22 -48.33 82.17 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.955 0.798 . . . . 0.0 110.868 176.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 51.1 m -55.23 -42.16 73.02 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 118.743 -0.646 . . . . 0.0 111.826 174.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.53 -56.58 20.33 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.16 0.891 . . . . 0.0 112.396 174.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.53 -52.96 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-N 119.5 1.045 . . . . 0.0 111.887 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -71.12 -34.2 70.83 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 119.117 0.872 . . . . 0.0 112.452 -170.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.91 -36.43 78.0 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 120.096 1.316 . . . . 0.0 112.347 173.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -68.17 -42.31 80.21 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.499 -0.75 . . . . 0.0 110.533 172.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -51.26 -44.24 61.73 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.607 0.763 . . . . 0.0 111.134 168.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.88 -12.59 15.38 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 127.055 2.264 . . . . 0.0 116.953 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.3 -2.07 7.56 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 119.479 1.639 . . . . 0.0 114.268 165.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.24 139.9 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 123.978 0.911 . . . . 0.0 111.894 -178.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -84.81 77.91 9.99 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.741 0.816 . . . . 0.0 109.555 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 57.8 t -48.89 -35.9 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 124.606 1.163 . . . . 0.0 113.584 -171.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -85.32 -5.09 59.34 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.806 2.042 . . . . 0.0 115.885 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -120.28 -52.84 2.15 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.018 1.327 . . . . 0.0 110.291 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.73 -32.51 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 O-C-N 121.169 -0.957 . . . . 0.0 111.949 172.208 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.86 -45.32 21.73 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-N 119.294 0.952 . . . . 0.0 112.136 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.89 -42.99 96.98 Favored Glycine 0 N--CA 1.469 0.88 0 CA-C-N 117.656 0.728 . . . . 0.0 112.24 172.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.96 -35.06 69.43 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-O 117.253 -1.356 . . . . 0.0 112.208 174.324 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.08 -48.85 78.88 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 122.137 2.244 . . . . 0.0 111.253 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 tp -71.7 -44.41 64.24 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 122.435 -0.166 . . . . 0.0 111.185 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.68 -49.29 77.93 Favored Glycine 0 N--CA 1.471 1.017 0 O-C-N 120.634 -1.291 . . . . 0.0 113.887 176.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -31.05 61.63 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 125.635 1.574 . . . . 0.0 112.182 175.318 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tt -77.84 -40.34 40.59 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.323 1.449 . . . . 0.0 112.911 171.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 53.2 mt -70.08 -34.54 73.31 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.675 -1.265 . . . . 0.0 110.649 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 22.4 m -75.82 -6.61 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.29 -4.72 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-N 121.149 1.795 . . . . 0.0 111.883 169.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 49.79 37.77 0.44 Allowed Pre-proline 0 CA--C 1.555 1.137 0 C-N-CA 125.725 1.61 . . . . 0.0 113.812 -166.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -81.86 178.16 6.74 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 122.075 1.85 . . . . 0.0 110.206 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -40.32 -35.53 0.43 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 176.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 38' ' ' THR . . . . . 0.416 HG22 ' CG ' ' D' ' 102' ' ' ASN . 23.7 p -54.75 -25.19 26.22 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.692 1.597 . . . . 0.0 114.408 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -46.44 -25.94 0.76 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.327 2.251 . . . . 0.0 115.068 173.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -51.02 -30.58 15.72 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 175.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -86.49 7.54 25.57 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -45.98 -39.84 9.57 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.887 1.675 . . . . 0.0 113.484 170.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.69 -22.42 57.16 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 174.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 16.7 t -97.35 -44.74 6.75 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.052 0.941 . . . . 0.0 112.21 173.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -61.75 -37.32 83.81 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.13 -106.11 2.95 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.556 1.074 . . . . 0.0 112.856 174.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.22 84.33 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.465 1.506 . . . . 0.0 112.624 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 tt -137.18 -19.03 1.28 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.911 1.685 . . . . 0.0 113.468 -174.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 8.7 t -54.84 -23.9 20.52 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.985 1.314 . . . . 0.0 114.381 -173.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 32.6 p -124.98 154.45 71.22 Favored Pre-proline 0 N--CA 1.472 0.664 0 C-N-CA 124.447 1.099 . . . . 0.0 111.371 167.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -56.0 -42.6 65.06 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.074 2.516 . . . . 0.0 114.057 173.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -61.02 -37.56 83.0 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.465 0.706 . . . . 0.0 111.744 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.39 -54.67 36.9 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.669 0.388 . . . . 0.0 111.079 170.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.84 -37.41 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -171.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -71.17 -27.28 63.41 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.396 0.998 . . . . 0.0 113.646 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.54 -0.99 59.13 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.315 0.96 . . . . 0.0 114.729 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -74.53 130.3 82.13 Favored Pre-proline 0 CA--C 1.556 1.196 0 C-N-CA 125.357 1.463 . . . . 0.0 112.935 -170.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -67.79 -37.4 16.05 Favored 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 123.749 2.966 . . . . 0.0 113.565 -177.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -66.14 -45.55 80.61 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.3 -0.875 . . . . 0.0 110.854 174.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 83.6 t -61.95 -46.51 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.848 0.859 . . . . 0.0 111.559 178.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -66.02 -38.45 88.46 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 119.624 1.102 . . . . 0.0 113.048 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.77 -45.07 91.43 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.42 1.009 . . . . 0.0 112.832 173.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -61.81 -36.13 80.22 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.258 -0.901 . . . . 0.0 111.084 173.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.41 -50.53 62.01 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 125.564 1.554 . . . . 0.0 114.154 166.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -58.71 -42.2 88.13 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.678 1.239 . . . . 0.0 111.573 173.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -63.15 -53.97 44.99 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.98 0.912 . . . . 0.0 112.641 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 18.0 m -57.66 -44.94 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 119.429 1.013 . . . . 0.0 111.089 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 tt -71.89 -35.68 69.81 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.468 -0.77 . . . . 0.0 112.301 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.58 -42.1 93.92 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.465 1.031 . . . . 0.0 112.294 170.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.35 -37.28 84.96 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 117.845 0.823 . . . . 0.0 113.109 171.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -60.62 -35.43 76.13 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.634 -1.291 . . . . 0.0 111.494 170.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -41.53 87.46 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.532 1.133 . . . . 0.0 113.169 171.087 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -57.39 -32.54 66.92 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.445 1.021 . . . . 0.0 111.911 170.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.23 -63.59 4.77 Favored Glycine 0 C--N 1.34 0.783 0 C-N-CA 123.807 0.717 . . . . 0.0 111.649 166.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 18.3 mt -51.65 -35.17 41.19 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -178.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.43 -28.42 61.97 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 176.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.92 49.26 1.48 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.148 1.779 . . . . 0.0 111.442 -169.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.27 -21.57 62.08 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.814 -1.179 . . . . 0.0 113.949 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.07 -19.79 65.49 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 174.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -97.79 -65.82 0.94 Allowed 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 118.976 0.807 . . . . 0.0 112.716 -175.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 46.16 18.01 0.05 OUTLIER 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -173.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -138.14 -66.14 0.5 Allowed 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.176 1.391 . . . . 0.0 111.327 176.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.15 -35.07 75.73 Favored Glycine 0 N--CA 1.48 1.625 0 CA-C-N 118.943 0.792 . . . . 0.0 113.98 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.2 p -68.0 -13.73 62.41 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.114 1.766 . . . . 0.0 114.938 173.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -128.87 -4.26 5.15 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.399 1.48 . . . . 0.0 113.972 -174.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.95 -40.83 70.38 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 120.232 1.378 . . . . 0.0 113.406 -173.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 25.2 p -64.59 -36.77 85.32 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.75 1.22 . . . . 0.0 112.885 173.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 72.4 mt -77.23 -36.97 54.2 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.121 0.968 . . . . 0.0 112.02 177.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 4.3 t -61.4 -44.57 96.91 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.464 1.106 . . . . 0.0 110.336 171.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.71 -49.24 78.5 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.212 -0.93 . . . . 0.0 112.463 170.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 48.0 tp -55.84 -53.94 50.63 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.382 0.992 . . . . 0.0 112.002 177.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -82.51 -19.95 37.71 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -171.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 49.1 t -90.64 -64.59 1.11 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.712 0.805 . . . . 0.0 112.107 169.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -75.94 -40.39 54.18 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.609 -1.307 . . . . 0.0 113.299 -169.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.5 -41.4 21.78 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 56.2 mt -114.68 -24.22 8.85 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -171.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 34.09 46.97 0.17 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.852 2.461 . . . . 0.0 114.863 -169.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.43 150.2 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 120.947 -1.096 . . . . 0.0 110.692 -178.161 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -64.5 141.32 98.2 Favored Pre-proline 0 CA--C 1.55 0.979 0 O-C-N 121.426 -0.796 . . . . 0.0 112.749 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.54 -28.95 44.94 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.676 2.25 . . . . 0.0 114.1 -171.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -67.33 -27.54 67.23 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.898 -1.126 . . . . 0.0 112.62 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 102' ' ' ASN . . . . . 0.416 ' CG ' HG22 ' D' ' 38' ' ' THR . 49.4 t-20 -55.35 -50.06 70.64 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.133 1.373 . . . . 0.0 112.535 173.062 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -59.2 -46.53 88.19 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.724 1.209 . . . . 0.0 111.35 177.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -60.18 -45.37 93.35 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.76 0.824 . . . . 0.0 111.611 176.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 6.1 mp -61.0 -46.36 91.07 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 118.442 -0.79 . . . . 0.0 112.072 175.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.87 -41.21 77.58 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.779 1.172 . . . . 0.0 109.908 176.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 107' ' ' GLY . . . . . 0.489 ' CA ' HG11 ' D' ' 134' ' ' VAL . . . -57.06 -56.73 23.47 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 114.908 0.723 . . . . 0.0 114.908 173.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.59 -40.03 90.23 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 118.161 0.98 . . . . 0.0 111.119 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 98.2 t -67.06 -36.33 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 O-C-N 121.123 -0.986 . . . . 0.0 111.654 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 14.1 tp -54.49 -54.71 37.4 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.754 1.161 . . . . 0.0 110.559 174.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 33.1 m -61.07 -29.36 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-N 118.821 0.737 . . . . 0.0 112.823 178.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 83.1 m -71.36 -46.73 59.72 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 174.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 12.7 p -65.46 -36.83 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 119.841 1.201 . . . . 0.0 111.563 174.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 66.5 mt -58.44 -47.77 82.89 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.641 1.11 . . . . 0.0 110.743 171.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.11 -35.07 77.59 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 175.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -65.46 -59.01 4.45 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.7 1.136 . . . . 0.0 111.984 169.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -65.41 -22.04 66.73 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -168.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -131.37 43.39 3.08 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.195 1.798 . . . . 0.0 111.134 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.06 -32.51 35.29 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.06 1.314 . . . . 0.0 116.264 -177.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -71.47 -8.84 56.47 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 118.823 1.312 . . . . 0.0 114.39 173.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -130.39 5.14 4.77 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.137 1.775 . . . . 0.0 113.22 -170.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.42 33.51 0.05 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 -168.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 17.2 p -44.07 148.74 0.76 Allowed Pre-proline 0 N--CA 1.484 1.237 0 C-N-CA 124.998 1.319 . . . . 0.0 114.042 -167.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -45.81 -48.06 12.96 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 121.933 1.755 . . . . 0.0 114.459 174.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.19 -29.66 55.54 Favored 'Trans proline' 0 C--N 1.353 0.789 0 CA-C-O 116.948 -1.355 . . . . 0.0 113.913 174.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.74 -40.24 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 122.542 2.428 . . . . 0.0 112.493 177.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -60.76 -54.17 48.5 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.011 0.525 . . . . 0.0 110.026 172.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.06 -37.13 83.82 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 113.321 0.859 . . . . 0.0 113.321 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.23 -52.78 52.37 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.537 1.135 . . . . 0.0 111.553 -178.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -56.78 -47.28 80.51 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.85 -0.531 . . . . 0.0 111.058 169.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -56.66 -40.35 75.32 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.889 0.768 . . . . 0.0 112.764 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -71.06 -33.76 70.57 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.009 1.277 . . . . 0.0 113.699 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.15 -51.0 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-N 119.745 1.157 . . . . 0.0 109.787 168.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 134' ' ' VAL . . . . . 0.489 HG11 ' CA ' ' D' ' 107' ' ' GLY . 11.7 t -61.93 -43.51 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 C-N-CA 125.834 1.653 . . . . 0.0 112.832 -176.085 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.0 97.97 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.389 0.995 . . . . 0.0 111.657 175.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.24 -44.76 89.16 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 123.426 0.536 . . . . 0.0 112.562 168.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.63 -44.3 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.732 1.213 . . . . 0.0 113.303 175.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.7 94.07 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.061 0.846 . . . . 0.0 110.696 176.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -61.52 -39.93 92.81 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.169 0.588 . . . . 0.0 112.243 175.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.57 -45.25 91.32 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.163 0.985 . . . . 0.0 112.579 173.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.81 -24.39 63.47 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.625 -1.297 . . . . 0.0 112.374 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.49 -11.87 59.95 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 167.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -57.07 -43.72 82.37 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.036 -1.665 . . . . 0.0 113.42 -173.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -65.38 -7.75 15.25 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.043 1.498 . . . . 0.0 115.043 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -67.7 -18.05 64.78 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.365 1.439 . . . . 0.0 112.287 175.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 34.0 m80 . . . . . 0 C--O 1.251 1.175 0 C-N-CA 125.411 1.485 . . . . 0.0 112.951 -162.494 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.519 2.979 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.2 mt -148.47 -167.28 2.77 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 126.37 1.868 . . . . 0.0 110.999 -170.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.36 152.35 64.24 Favored Pre-proline 0 N--CA 1.487 1.386 0 CA-C-N 119.992 1.269 . . . . 0.0 112.966 -175.085 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -67.6 -50.34 0.94 Allowed 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.399 2.733 . . . . 0.0 112.748 -174.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.38 87.27 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 122.734 0.414 . . . . 0.0 111.222 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -53.57 55.91 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 124.304 1.042 . . . . 0.0 113.17 178.074 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -55.29 -46.58 76.19 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.376 173.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.9 m -56.02 -45.19 79.21 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.981 1.264 . . . . 0.0 112.718 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -62.78 -42.23 99.6 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.242 -0.912 . . . . 0.0 112.248 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.6 t -73.71 -37.99 50.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-O 118.498 -0.763 . . . . 0.0 111.458 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -56.08 -48.09 76.75 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.518 1.054 . . . . 0.0 110.948 167.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.76 -51.96 67.52 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.119 0.568 . . . . 0.0 111.793 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.18 -54.1 47.59 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.547 0.739 . . . . 0.0 111.702 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -62.35 -26.97 68.74 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.71 -42.67 97.1 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.792 1.187 . . . . 0.0 113.421 170.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -70.22 -37.03 74.93 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 118.547 1.173 . . . . 0.0 111.034 173.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.36 -50.71 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.862 1.265 . . . . 0.0 111.234 175.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.71 -134.01 11.32 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 123.977 0.799 . . . . 0.0 114.047 176.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.68 -22.29 56.75 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -70.88 -8.88 55.98 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -46.96 -49.74 20.17 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.177 0.899 . . . . 0.0 112.552 177.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.98 -38.45 95.49 Favored Glycine 0 C--N 1.339 0.731 0 CA-C-O 119.125 -0.819 . . . . 0.0 113.892 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -66.25 -42.94 87.87 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.492 1.146 . . . . 0.0 111.074 174.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -62.92 -37.13 85.74 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.204 -0.935 . . . . 0.0 112.056 174.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.93 -46.87 92.67 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-N 118.851 0.751 . . . . 0.0 112.656 170.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.2 -45.8 86.74 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.354 1.077 . . . . 0.0 112.227 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -60.11 -41.72 93.19 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.861 0.864 . . . . 0.0 111.283 172.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.475 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -63.68 -40.91 98.0 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 178.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.42 -52.14 64.72 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.131 0.972 . . . . 0.0 111.442 171.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -60.05 -42.27 94.11 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.095 0.862 . . . . 0.0 112.946 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -59.76 -45.0 93.59 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 118.557 -0.735 . . . . 0.0 111.064 172.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.3 tmm? -59.56 -47.74 84.38 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.46 1.027 . . . . 0.0 111.709 175.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -58.44 -41.35 84.88 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.44 -36.47 29.36 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 118.832 0.742 . . . . 0.0 112.311 178.199 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 t -71.2 -33.92 70.38 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.758 0.823 . . . . 0.0 112.77 -175.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -128.12 85.83 59.56 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.801 1.64 . . . . 0.0 108.769 176.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.46 -18.73 5.96 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 123.742 2.961 . . . . 0.0 114.675 173.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.56 -21.41 2.5 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.236 2.214 . . . . 0.0 115.124 165.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.6 p -86.34 -20.49 28.24 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.864 1.211 . . . . 0.0 113.228 174.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -54.05 -38.35 65.14 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.427 1.091 . . . . 0.0 113.154 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 t -53.54 -30.64 42.79 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 178.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -58.45 -32.44 68.72 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 118.069 -0.967 . . . . 0.0 113.091 176.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.5 t80 11.25 67.99 0.09 OUTLIER Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 129.201 3.0 . . . . 0.0 114.984 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -80.88 38.2 0.74 Allowed 'Trans proline' 0 CA--C 1.548 1.183 0 C-N-CA 123.589 2.859 . . . . 0.0 113.774 -158.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.296 0.7 OUTLIER 92.57 8.04 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.414 1 C-N-CA 131.815 4.046 . . . . 0.0 113.672 -170.311 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -71.52 -177.7 1.93 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.051 1.74 . . . . 0.0 114.584 -175.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -130.03 -41.95 1.26 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.14 0.976 . . . . 0.0 113.585 -173.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.4 mt 54.58 17.56 1.7 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 126.851 2.06 . . . . 0.0 116.089 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.7 m -72.73 21.29 0.07 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 126.671 1.989 . . . . 0.0 115.804 -176.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 63.39 142.16 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.804 2.442 . . . . 0.0 112.91 -164.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.15 20.99 73.54 Favored Glycine 0 CA--C 1.54 1.61 0 O-C-N 121.08 -1.012 . . . . 0.0 115.112 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.5 t -62.91 114.5 3.69 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 118.506 1.153 . . . . 0.0 113.248 -176.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.3 -33.86 63.64 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.655 1.182 . . . . 0.0 112.746 171.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -67.41 -41.18 85.32 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.31 1.044 . . . . 0.0 111.314 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.19 -38.0 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.682 -0.636 . . . . 0.0 111.462 172.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -62.19 -48.48 79.87 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 119.311 0.959 . . . . 0.0 111.174 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.17 -44.3 98.31 Favored Glycine 0 N--CA 1.472 1.053 0 C-N-CA 124.281 0.943 . . . . 0.0 113.121 177.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -61.0 -42.77 99.08 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.502 -0.999 . . . . 0.0 111.782 173.032 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.36 -48.53 83.28 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 124.197 0.903 . . . . 0.0 113.204 172.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -55.25 -40.88 71.45 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.239 1.015 . . . . 0.0 112.164 172.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -65.24 -51.4 61.13 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 173.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.7 t -55.65 -43.21 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-N 120.372 1.442 . . . . 0.0 111.046 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.431 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -63.52 -51.0 67.37 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 176.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -61.84 -29.93 70.51 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.489 -0.757 . . . . 0.0 112.046 176.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.89 -36.04 81.39 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.133 -0.979 . . . . 0.0 113.226 168.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.57 -39.16 88.34 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.354 0.979 . . . . 0.0 111.696 168.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.1 m -58.72 -48.72 80.18 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.915 1.234 . . . . 0.0 111.725 169.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -61.1 -37.99 84.71 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.9 1.68 . . . . 0.0 112.919 175.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.01 -61.0 2.87 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.147 0.885 . . . . 0.0 110.129 165.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.0 t -51.47 -37.42 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.067 1.347 . . . . 0.0 113.095 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.99 -26.59 65.1 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -134.94 15.95 3.55 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.817 1.247 . . . . 0.0 113.346 -169.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.5 p -60.24 -30.1 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.056 1.342 . . . . 0.0 114.488 -165.049 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -61.07 -16.31 42.4 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.755 1.222 . . . . 0.0 113.737 172.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -136.94 28.13 2.9 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 128.317 2.647 . . . . 0.0 110.947 -176.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.5 ttp -50.94 -36.41 24.65 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 116.717 2.118 . . . . 0.0 116.717 -173.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -64.39 36.42 0.1 Allowed 'Trans proline' 0 CA--C 1.557 1.655 0 C-N-CA 124.918 3.745 . . . . 0.0 116.56 170.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -145.75 -40.96 0.22 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.305 2.242 . . . . 0.0 110.543 162.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.69 -29.2 69.93 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.9 mt -100.12 0.67 41.12 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -55.73 -41.2 73.53 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -171.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.5 -28.48 67.08 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.146 0.885 . . . . 0.0 113.243 175.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.7 mt -83.95 -42.31 16.41 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.603 1.161 . . . . 0.0 110.288 -178.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.7 m -55.16 -40.29 70.49 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 122.717 0.407 . . . . 0.0 111.284 166.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -51.41 70.18 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.041 0.936 . . . . 0.0 111.627 174.428 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -45.19 90.23 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.201 -0.937 . . . . 0.0 111.261 175.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.19 -26.53 68.4 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.199 1.0 . . . . 0.0 113.237 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.81 -17.45 16.21 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.979 1.312 . . . . 0.0 114.502 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -131.0 -35.25 1.41 Allowed 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.278 1.585 . . . . 0.0 115.278 -171.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -65.23 -46.29 81.21 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 120.473 1.488 . . . . 0.0 109.821 173.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.98 -132.9 0.05 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.491 2.317 . . . . 0.0 108.189 172.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.84 54.88 0.83 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.402 1.081 . . . . 0.0 113.477 -166.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 76.4 t -52.42 103.09 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 124.146 0.978 . . . . 0.0 112.474 -172.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.01 134.15 89.79 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 123.515 0.726 . . . . 0.0 112.216 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -48.43 -33.1 22.04 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 125.165 3.91 . . . . 0.0 116.585 -176.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.2 p -47.04 -39.36 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.02 0.928 . . . . 0.0 113.049 173.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -73.53 -28.69 62.02 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.34 -0.85 . . . . 0.0 112.181 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -60.95 -48.77 80.3 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 119.062 0.846 . . . . 0.0 109.712 167.266 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -55.23 -45.92 75.97 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.707 0.685 . . . . 0.0 110.581 -177.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 64.2 mt -58.45 -62.97 1.45 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.7 1.2 . . . . 0.0 110.904 173.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.8 tp -52.11 -46.01 65.14 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.687 0.795 . . . . 0.0 112.776 -178.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.1 t -56.3 -51.25 68.89 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.522 1.129 . . . . 0.0 111.8 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -60.24 -45.65 92.5 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.887 -0.508 . . . . 0.0 111.21 175.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.475 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 59.6 m -59.07 -40.57 85.6 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.741 -0.6 . . . . 0.0 112.324 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 64.6 mt -64.38 -46.06 85.0 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.872 0.869 . . . . 0.0 111.478 175.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.2 mt -55.95 -45.04 78.97 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.475 -0.766 . . . . 0.0 111.194 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 20.1 t -59.69 -46.6 93.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 124.583 1.153 . . . . 0.0 112.573 176.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.5 p -66.64 -42.76 86.23 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.728 1.149 . . . . 0.0 111.787 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.04 -45.48 90.64 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.47 1.032 . . . . 0.0 110.787 175.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.23 -27.61 55.5 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.82 -12.03 60.01 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -128.34 -17.48 4.22 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -170.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -111.94 130.66 23.0 Favored Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 124.308 1.043 . . . . 0.0 109.427 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -47.47 -47.55 17.54 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 124.795 3.663 . . . . 0.0 117.632 -158.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.459 ' HA ' ' CE2' ' A' ' 117' ' ' PHE . . . -134.28 18.31 3.7 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 124.288 1.035 . . . . 0.0 112.164 -178.062 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -16.69 5.69 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 117.11 2.263 . . . . 0.0 117.11 -155.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.459 ' CE2' ' HA ' ' A' ' 115' ' ' ALA . 26.7 p90 -66.35 11.96 0.08 Allowed 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 126.514 1.926 . . . . 0.0 113.349 162.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -54.93 162.67 1.76 Allowed Pre-proline 0 N--CA 1.48 1.055 0 C-N-CA 126.189 1.796 . . . . 0.0 112.549 -176.154 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -52.22 -50.25 14.63 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.646 2.231 . . . . 0.0 113.315 172.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -67.56 -60.28 2.68 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.61 -35.13 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 120.677 -1.264 . . . . 0.0 112.827 -167.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -79.14 -45.3 20.26 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.876 1.216 . . . . 0.0 113.544 176.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.94 -48.45 73.14 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 120.291 1.405 . . . . 0.0 110.199 173.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.1 m -59.93 -57.0 14.78 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.576 1.151 . . . . 0.0 111.652 177.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 28.0 mt -58.31 -42.36 86.52 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 121.471 1.942 . . . . 0.0 113.534 177.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -60.06 -52.46 65.27 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.916 1.235 . . . . 0.0 111.67 177.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -27.75 63.64 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -68.12 -49.57 60.27 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.116 1.366 . . . . 0.0 110.642 172.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -59.79 -39.33 84.59 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.012 0.824 . . . . 0.0 111.196 172.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.57 -33.8 75.69 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 171.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 36.8 t -71.43 -45.12 63.5 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.539 -1.35 . . . . 0.0 112.27 170.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.7 t -51.98 -54.98 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 123.879 0.872 . . . . 0.0 109.436 173.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 96.1 p -64.09 -42.64 96.87 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 119.264 0.938 . . . . 0.0 113.151 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.5 m -49.82 -47.78 51.23 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.462 1.028 . . . . 0.0 110.923 171.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 90.3 t -71.21 -44.47 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 O-C-N 121.173 -0.954 . . . . 0.0 111.206 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -16.48 64.02 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.4 t -101.2 -17.27 16.7 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.29 1.436 . . . . 0.0 112.4 172.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.6 t . . . . . 0 CA--C 1.542 0.64 0 C-N-CA 124.143 0.977 . . . . 0.0 112.108 166.905 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.34 2.2 p . . . . . 0 N--CA 1.515 2.808 0 CA-C-O 116.859 -1.543 . . . . 0.0 113.206 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 5.1 m170 40.08 77.73 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 120.493 1.497 . . . . 0.0 113.69 -173.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.0 mt -58.41 114.51 2.47 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.156 -0.965 . . . . 0.0 109.709 170.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.63 134.26 82.46 Favored Pre-proline 0 N--CA 1.471 0.583 0 C-N-CA 126.189 1.796 . . . . 0.0 109.042 174.359 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -49.43 -42.73 40.71 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.068 2.512 . . . . 0.0 116.386 -168.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.77 -40.56 88.25 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.546 -0.721 . . . . 0.0 111.923 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.41 -44.72 82.19 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.022 0.929 . . . . 0.0 111.51 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -43.19 82.88 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.855 1.207 . . . . 0.0 111.593 171.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t -57.67 -45.97 84.88 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.491 1.042 . . . . 0.0 110.745 173.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.91 -59.47 5.19 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 121.619 -0.676 . . . . 0.0 112.731 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.49 HG23 ' CE2' ' B' ' 130' ' ' TYR . 2.6 p -63.63 -46.32 95.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 CA-C-N 119.751 1.16 . . . . 0.0 112.537 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -75.48 -31.83 60.37 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.246 0.93 . . . . 0.0 112.044 -172.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.67 -36.99 83.85 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 120.634 1.561 . . . . 0.0 111.987 171.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -32.71 70.57 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.57 -0.706 . . . . 0.0 111.616 173.463 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -60.75 -43.99 97.27 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.468 -0.77 . . . . 0.0 112.134 165.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.37 -32.05 57.35 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.758 1.647 . . . . 0.0 115.35 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -95.55 -13.01 24.8 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 174.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.95 132.25 27.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.563 1.145 . . . . 0.0 111.525 -175.332 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -82.87 91.74 7.15 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.668 0.787 . . . . 0.0 109.178 172.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 90.5 t -54.76 -36.87 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 CA-C-N 119.408 1.004 . . . . 0.0 113.57 -171.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -63.41 -54.59 34.23 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.873 0.761 . . . . 0.0 112.82 172.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.79 -55.97 5.93 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 119.337 -0.364 . . . . 0.0 110.183 -175.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -27.43 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 119.183 0.901 . . . . 0.0 112.834 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.92 -46.68 13.1 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-N 119.012 0.824 . . . . 0.0 112.248 175.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.0 -41.23 99.94 Favored Glycine 0 N--CA 1.469 0.872 0 CA-C-N 118.297 1.048 . . . . 0.0 112.759 171.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -54.48 -65.77 0.52 Allowed 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 125.052 1.341 . . . . 0.0 109.645 167.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.446 ' HA ' HG11 ' B' ' 113' ' ' VAL . . . -54.51 -52.06 63.15 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 121.037 1.744 . . . . 0.0 113.474 -176.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 tp -70.95 -39.81 72.36 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.445 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.0 -43.35 99.29 Favored Glycine 0 N--CA 1.468 0.773 0 CA-C-N 119.777 1.171 . . . . 0.0 111.728 171.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -40.67 57.34 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.583 1.553 . . . . 0.0 111.41 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' B' ' 106' ' ' LEU . 26.0 tp -49.79 -40.74 42.54 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.713 0.805 . . . . 0.0 111.873 176.639 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.77 -29.8 19.51 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 122.014 -0.429 . . . . 0.0 110.797 -176.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 1.4 m -67.44 -18.25 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 177.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.8 2.42 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 119.656 1.116 . . . . 0.0 113.413 168.47 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.61 39.25 0.6 Allowed Pre-proline 0 CA--C 1.563 1.463 0 C-N-CA 126.249 1.819 . . . . 0.0 114.777 -173.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -83.75 158.43 14.05 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.235 1.957 . . . . 0.0 111.736 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 33.1 p90 -48.42 -36.12 14.18 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.01 0.924 . . . . 0.0 113.125 172.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 2.4 m -49.74 -30.87 10.2 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.888 1.675 . . . . 0.0 114.215 177.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -58.55 -28.26 65.32 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -30.18 69.95 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.535 0.734 . . . . 0.0 112.412 -177.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -87.53 -4.5 58.98 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 176.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -89.72 8.7 30.33 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.884 0.874 . . . . 0.0 112.896 175.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -53.76 -31.69 49.55 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.428 -1.42 . . . . 0.0 113.347 170.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 46.9 p -59.35 -22.63 61.61 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.94 1.296 . . . . 0.0 114.33 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -79.5 -11.41 59.9 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.973 1.309 . . . . 0.0 112.991 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.52 -173.58 11.8 Favored Glycine 0 CA--C 1.537 1.419 0 CA-C-N 119.219 0.918 . . . . 0.0 113.515 -170.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 45.68 -124.29 1.2 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.463 1.105 . . . . 0.0 111.073 -170.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 tt 64.74 -22.03 0.08 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 127.407 2.283 . . . . 0.0 116.172 172.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -50.75 -29.74 12.22 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 127.663 2.385 . . . . 0.0 113.729 173.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 11.0 p -127.66 155.0 77.79 Favored Pre-proline 0 N--CA 1.473 0.675 0 C-N-CA 124.408 1.083 . . . . 0.0 109.513 161.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -70.3 -33.16 15.04 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.125 1.216 . . . . 0.0 113.413 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -58.74 -38.87 79.34 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.955 0.798 . . . . 0.0 110.612 172.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.65 -43.94 92.02 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 118.317 -0.849 . . . . 0.0 112.127 171.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -34.27 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 CA-C-N 121.218 1.826 . . . . 0.0 113.213 177.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 2.0 ttm -74.46 -34.71 63.23 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.859 0.864 . . . . 0.0 113.112 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.4 -31.76 36.61 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 123.757 0.694 . . . . 0.0 114.301 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -49.67 116.4 6.03 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 126.106 1.763 . . . . 0.0 113.606 -171.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -62.53 -26.86 76.35 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.741 2.294 . . . . 0.0 113.292 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -65.76 -43.24 89.47 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.506 1.048 . . . . 0.0 112.165 174.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 26.5 t -69.97 -35.26 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 O-C-N 121.487 -0.758 . . . . 0.0 111.392 174.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -63.04 -51.9 64.92 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 119.793 1.179 . . . . 0.0 112.217 171.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.39 -46.66 88.06 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.299 1.04 . . . . 0.0 112.604 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -68.05 -35.39 78.16 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.936 -1.103 . . . . 0.0 112.425 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.73 -46.21 83.26 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.907 1.241 . . . . 0.0 112.819 169.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.86 -42.25 79.43 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.268 1.034 . . . . 0.0 111.845 169.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -66.08 -49.64 66.89 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.17 0.895 . . . . 0.0 113.258 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 4.6 m -62.66 -39.84 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 120.047 1.294 . . . . 0.0 111.718 175.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 tt -71.19 -36.67 72.03 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 120.715 -1.241 . . . . 0.0 112.213 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.78 -35.72 76.02 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.616 1.103 . . . . 0.0 113.049 168.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.41 -45.67 75.45 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.268 -1.136 . . . . 0.0 112.453 168.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -57.88 -37.79 74.6 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 120.398 -1.439 . . . . 0.0 112.915 172.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 38.4 p -73.25 -36.73 66.45 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.474 1.034 . . . . 0.0 113.435 176.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -55.46 -35.58 65.65 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.361 0.982 . . . . 0.0 111.239 165.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.12 -63.64 5.11 Favored Glycine 0 C--N 1.34 0.802 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 167.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mt -54.01 -21.24 7.77 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 177.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.5 -20.87 22.2 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.719 1.608 . . . . 0.0 114.889 175.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -139.71 41.96 2.0 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.342 1.457 . . . . 0.0 113.257 -171.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.92 -11.52 28.82 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 177.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -4.88 42.76 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.93 0.892 . . . . 0.0 113.31 171.008 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.38 -63.41 1.39 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -171.31 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 51.03 -13.46 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 128.51 2.724 . . . . 0.0 118.266 -171.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -119.62 -57.54 1.97 Allowed 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 120.731 1.605 . . . . 0.0 111.153 -178.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.23 -39.41 94.54 Favored Glycine 0 CA--C 1.537 1.458 0 CA-C-N 118.811 0.732 . . . . 0.0 114.061 176.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 3.2 t -71.85 -18.89 62.04 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -121.48 5.76 10.12 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.49 1.292 . . . . 0.0 114.49 -175.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.02 -39.8 69.51 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 120.803 1.638 . . . . 0.0 113.409 -173.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 17.0 p -63.81 -44.07 94.38 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.813 1.245 . . . . 0.0 112.654 173.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 20.9 mt -68.25 -39.45 82.25 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.584 -0.697 . . . . 0.0 111.896 175.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -63.44 -38.52 91.45 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.249 1.02 . . . . 0.0 111.682 175.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -64.9 -49.82 68.98 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.162 -0.962 . . . . 0.0 112.047 170.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 12.4 tp -50.64 -54.69 20.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.094 0.958 . . . . 0.0 111.363 173.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -74.62 10.95 1.14 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.79 1.236 . . . . 0.0 114.209 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 41.9 t -130.55 -58.64 1.04 Allowed 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.951 -1.093 . . . . 0.0 111.715 174.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.64 -40.01 70.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.172 0.989 . . . . 0.0 113.005 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -41.55 15.97 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.39 0.676 . . . . 0.0 112.36 178.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.93 82.07 1.44 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.633 1.573 . . . . 0.0 111.551 -176.03 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -66.09 28.81 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 126.946 2.098 . . . . 0.0 115.127 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 76.2 t -51.41 145.29 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 128.044 2.537 . . . . 0.0 112.377 -173.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -56.88 131.94 79.31 Favored Pre-proline 0 CA--C 1.553 1.059 0 O-C-N 121.469 -0.769 . . . . 0.0 112.914 -178.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -49.73 -30.03 21.54 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 124.018 3.145 . . . . 0.0 115.558 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -42.64 -46.4 4.99 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.399 1.479 . . . . 0.0 113.976 169.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -65.19 -31.71 73.03 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.27 -0.894 . . . . 0.0 112.77 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -67.1 -45.77 76.23 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.936 0.895 . . . . 0.0 110.117 176.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -63.05 -38.31 90.66 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 119.365 -0.35 . . . . 0.0 111.696 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 13.7 mt -60.47 -48.49 81.51 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.071 0.949 . . . . 0.0 112.755 172.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.406 ' HA ' HD13 ' B' ' 31' ' ' LEU . 1.4 tt -56.99 -42.36 80.12 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 118.773 0.715 . . . . 0.0 110.952 174.028 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.35 -63.73 5.02 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 124.475 1.035 . . . . 0.0 114.04 172.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -44.71 -49.31 10.56 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.159 1.783 . . . . 0.0 110.792 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 36.9 t -59.74 -52.36 61.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 123.636 0.774 . . . . 0.0 112.223 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 58.7 tp -56.33 -51.9 66.55 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.724 1.147 . . . . 0.0 110.946 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.429 HG12 ' HB3' ' B' ' 130' ' ' TYR . 1.4 m -62.69 -31.78 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.915 -179.008 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 21.9 t -65.82 -42.82 90.13 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.218 0.463 . . . . 0.0 111.88 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 113' ' ' VAL . . . . . 0.446 HG11 ' HA ' ' B' ' 27' ' ' ALA 0.262 1.7 m -68.95 -37.32 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 120.678 -1.264 . . . . 0.0 112.614 -178.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.78 -36.46 83.96 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.53 -0.731 . . . . 0.0 110.943 172.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.08 69.55 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 172.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 116' ' ' HIS . . . . . 0.451 ' CG ' ' CE2' ' A' ' 117' ' ' PHE . 0.9 OUTLIER -77.74 -50.0 13.28 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.649 1.113 . . . . 0.0 112.216 172.88 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.96 -19.24 61.92 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -167.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -128.93 41.27 3.51 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.231 1.813 . . . . 0.0 110.04 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -54.61 -22.86 26.45 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 126.022 1.772 . . . . 0.0 116.114 -177.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -79.63 -8.73 59.38 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.849 1.324 . . . . 0.0 113.744 173.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -128.73 3.94 5.48 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 127.484 2.314 . . . . 0.0 112.586 -172.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.11 27.03 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 127.081 2.152 . . . . 0.0 116.125 -171.016 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 29.1 p -46.31 144.34 3.27 Favored Pre-proline 0 N--CA 1.48 1.065 0 O-C-N 120.566 -1.334 . . . . 0.0 113.562 -165.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -40.47 -45.96 4.46 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 C-N-CA 123.402 2.734 . . . . 0.0 116.102 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.69 -27.23 27.07 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.696 1.597 . . . . 0.0 115.057 173.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -44.75 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 121.998 2.181 . . . . 0.0 111.85 174.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -73.73 -28.25 61.61 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 118.215 -0.898 . . . . 0.0 112.41 175.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.37 -48.31 67.81 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.853 1.66 . . . . 0.0 111.769 170.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.56 81.15 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 124.944 1.297 . . . . 0.0 111.369 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.49 ' CE2' HG23 ' B' ' 11' ' ' VAL . 1.0 OUTLIER -54.52 -51.47 65.06 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 118.571 -0.728 . . . . 0.0 111.535 170.785 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.13 -36.15 74.71 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.745 1.157 . . . . 0.0 112.975 178.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -66.83 -44.01 82.24 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.764 1.166 . . . . 0.0 112.833 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.82 -39.83 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.133 -0.98 . . . . 0.0 112.416 172.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 19.9 t -60.75 -42.25 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.665 1.186 . . . . 0.0 112.058 176.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.04 96.42 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.616 1.166 . . . . 0.0 111.806 174.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -54.52 -49.85 59.28 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.733 -0.482 . . . . 0.0 112.148 169.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 3.7 t -58.28 -47.87 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 117.946 0.873 . . . . 0.0 112.191 172.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.82 -47.67 79.75 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 120.28 1.4 . . . . 0.0 111.908 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -66.52 -35.95 81.51 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.744 -0.597 . . . . 0.0 112.259 176.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.5 79.44 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.015 -1.053 . . . . 0.0 112.561 173.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.17 -27.99 66.89 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.119 -0.988 . . . . 0.0 111.812 177.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 142' ' ' ALA . . . . . 0.489 ' HA ' ' CE1' ' B' ' 145' ' ' TYR . . . -77.56 -6.7 54.59 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.83 1.418 . . . . 0.0 114.83 168.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -62.7 -42.24 99.53 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 119.706 -1.871 . . . . 0.0 113.041 -167.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.6 -9.43 3.82 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.404 1.481 . . . . 0.0 114.872 176.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 145' ' ' TYR . . . . . 0.489 ' CE1' ' HA ' ' B' ' 142' ' ' ALA . 1.7 m-30 . . . . . 0 CA--C 1.546 0.791 0 CA-C-N 119.456 1.025 . . . . 0.0 111.639 -177.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.518 2.934 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 21.8 mt -148.52 -167.24 2.76 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 126.287 1.835 . . . . 0.0 110.929 -170.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.3 152.41 64.12 Favored Pre-proline 0 N--CA 1.486 1.359 0 CA-C-N 119.989 1.268 . . . . 0.0 113.014 -175.096 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -67.68 -50.17 0.96 Allowed 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.229 2.619 . . . . 0.0 112.806 -174.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.35 87.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 122.856 0.463 . . . . 0.0 111.11 175.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -53.69 54.5 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.268 1.027 . . . . 0.0 113.154 178.1 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -55.23 -46.58 75.98 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-O 118.137 -0.935 . . . . 0.0 111.392 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 54.2 m -56.03 -45.21 79.23 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.988 1.267 . . . . 0.0 112.638 175.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -62.8 -42.22 99.62 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.111 0.869 . . . . 0.0 112.204 177.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 81.7 t -73.75 -38.0 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 118.558 -0.734 . . . . 0.0 111.379 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -56.05 -48.18 76.51 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.48 1.036 . . . . 0.0 110.94 167.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.82 -51.92 67.68 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.188 0.595 . . . . 0.0 111.673 177.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.13 -54.12 47.29 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.493 0.717 . . . . 0.0 111.69 176.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -62.3 -26.96 68.71 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.89 -42.5 96.91 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.677 1.132 . . . . 0.0 113.464 170.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -70.41 -36.92 74.33 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 118.577 1.189 . . . . 0.0 111.012 173.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 53.6 t -57.35 -50.78 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 124.957 1.303 . . . . 0.0 111.179 175.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.75 -134.0 11.42 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 123.939 0.781 . . . . 0.0 114.054 176.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.71 -22.42 57.39 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -70.72 -8.71 54.16 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 175.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.436 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -47.08 -49.73 21.13 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.247 0.93 . . . . 0.0 112.581 177.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.86 -38.89 96.11 Favored Glycine 0 C--N 1.34 0.752 0 CA-C-O 119.226 -0.763 . . . . 0.0 113.9 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.83 -42.98 89.86 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.4 1.1 . . . . 0.0 111.09 174.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -63.06 -37.05 85.66 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.261 -0.899 . . . . 0.0 112.048 174.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.85 -46.82 92.81 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-N 118.877 0.762 . . . . 0.0 112.74 170.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.37 -45.72 86.5 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.173 0.986 . . . . 0.0 112.097 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -60.05 -41.72 92.91 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.851 0.86 . . . . 0.0 111.387 172.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.464 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -63.91 -40.71 97.11 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 178.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 73.0 mt -62.53 -51.97 65.3 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.083 0.953 . . . . 0.0 111.488 170.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -60.31 -42.2 95.05 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.099 0.863 . . . . 0.0 112.844 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -59.73 -44.94 93.55 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 118.585 -0.722 . . . . 0.0 111.096 172.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 9.3 tmm? -59.78 -47.45 85.62 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.379 0.99 . . . . 0.0 111.662 175.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -58.77 -41.23 86.12 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.29 -36.44 29.84 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 118.808 0.731 . . . . 0.0 112.531 177.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 7.4 t -71.17 -33.85 70.39 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.808 0.843 . . . . 0.0 112.82 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -128.22 85.75 59.7 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.907 1.683 . . . . 0.0 108.75 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.54 -18.67 6.11 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.684 2.923 . . . . 0.0 114.653 173.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -21.36 2.23 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 127.377 2.271 . . . . 0.0 115.108 165.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 26.8 p -86.55 -20.61 27.72 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.959 1.254 . . . . 0.0 113.305 174.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -53.86 -38.42 64.68 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.41 1.084 . . . . 0.0 113.229 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 2.8 t -53.28 -30.95 41.4 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 178.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -58.28 -32.53 68.5 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 118.132 -0.937 . . . . 0.0 113.156 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 2.5 t80 11.25 67.98 0.09 OUTLIER Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 129.122 2.969 . . . . 0.0 115.072 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -80.83 38.08 0.73 Allowed 'Trans proline' 0 CA--C 1.548 1.213 0 C-N-CA 123.601 2.867 . . . . 0.0 113.794 -158.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.297 0.7 OUTLIER 92.68 7.97 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.38 1 C-N-CA 131.787 4.035 . . . . 0.0 113.715 -170.315 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -71.45 -177.66 1.89 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.963 1.705 . . . . 0.0 114.73 -175.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -130.05 -41.95 1.26 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.125 0.97 . . . . 0.0 113.51 -173.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 mt 54.48 17.56 1.65 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.943 2.097 . . . . 0.0 116.143 175.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 66.1 m -72.63 21.23 0.07 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 126.668 1.987 . . . . 0.0 115.748 -176.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 63.36 142.16 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 127.839 2.455 . . . . 0.0 112.897 -164.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.06 21.15 73.45 Favored Glycine 0 CA--C 1.541 1.715 0 O-C-N 121.026 -1.046 . . . . 0.0 115.18 -177.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 26.3 t -62.94 114.64 3.79 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.483 1.113 . . . . 0.0 113.205 -176.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.28 -34.04 63.75 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.663 1.185 . . . . 0.0 112.778 171.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -67.38 -41.13 85.52 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.215 1.006 . . . . 0.0 111.375 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 90.3 t -65.23 -37.91 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 O-C-N 121.567 -0.708 . . . . 0.0 111.402 172.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -62.16 -48.54 79.62 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 119.29 0.95 . . . . 0.0 111.225 176.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.09 -44.49 98.1 Favored Glycine 0 N--CA 1.472 1.097 0 C-N-CA 124.196 0.903 . . . . 0.0 113.121 177.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.81 -42.71 98.17 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.414 -1.051 . . . . 0.0 111.817 173.054 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.42 -48.65 82.75 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 124.137 0.875 . . . . 0.0 113.19 172.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -55.11 -40.78 70.88 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.307 1.043 . . . . 0.0 112.245 172.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -65.34 -51.48 60.26 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 173.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 88.1 t -55.6 -43.24 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 CA-C-N 120.333 1.424 . . . . 0.0 110.983 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 63' ' ' ALA . . . . . 0.436 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -63.53 -51.1 66.92 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 123.943 0.897 . . . . 0.0 113.323 176.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -61.68 -30.03 70.47 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.478 -0.764 . . . . 0.0 112.058 176.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.06 -36.01 81.1 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.27 -0.894 . . . . 0.0 113.235 169.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.37 -39.08 88.89 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.346 0.975 . . . . 0.0 111.847 168.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 78.9 m -58.62 -49.0 79.11 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.985 1.266 . . . . 0.0 111.674 169.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -60.83 -38.1 84.3 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.889 1.676 . . . . 0.0 113.037 175.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.13 -60.76 3.25 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 119.078 0.853 . . . . 0.0 110.181 165.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 53.3 t -51.5 -37.51 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.108 1.363 . . . . 0.0 113.013 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.01 -26.49 65.03 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 177.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -134.93 15.91 3.55 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.814 1.246 . . . . 0.0 113.46 -169.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 5.4 p -60.2 -30.14 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.958 1.303 . . . . 0.0 114.513 -165.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.98 -16.32 41.68 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.672 1.189 . . . . 0.0 113.766 172.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -137.0 28.2 2.88 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 128.338 2.655 . . . . 0.0 110.853 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 11.4 ttp -51.02 -36.48 25.64 Favored Pre-proline 0 CA--C 1.548 0.887 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 -173.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -64.31 35.75 0.1 OUTLIER 'Trans proline' 0 CA--C 1.558 1.706 0 C-N-CA 124.851 3.701 . . . . 0.0 116.641 170.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -145.0 -40.96 0.24 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.084 2.154 . . . . 0.0 110.559 162.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.71 -29.05 69.85 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -178.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 85.2 mt -100.07 0.5 40.91 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 67.4 m -55.64 -41.37 73.45 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -171.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.27 -28.59 66.88 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.143 0.883 . . . . 0.0 113.325 175.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 11.7 mt -83.81 -42.29 16.61 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.565 1.146 . . . . 0.0 110.336 -178.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 14.8 m -55.2 -40.32 70.62 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.812 0.445 . . . . 0.0 111.208 166.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.07 -51.38 70.31 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.0 0.92 . . . . 0.0 111.587 174.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.91 -44.94 91.36 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.196 -0.94 . . . . 0.0 111.225 175.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -26.67 68.52 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.23 1.012 . . . . 0.0 113.172 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.78 -17.39 16.26 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.978 1.311 . . . . 0.0 114.529 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -131.01 -35.34 1.4 Allowed 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -171.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -65.28 -46.3 81.01 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 120.52 1.509 . . . . 0.0 109.832 173.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.91 -132.83 0.05 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.497 2.319 . . . . 0.0 108.245 172.134 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.82 54.0 0.83 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.38 1.072 . . . . 0.0 113.56 -166.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 76.7 t -51.68 103.15 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 124.306 1.042 . . . . 0.0 112.614 -172.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.23 134.27 89.3 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 123.473 0.709 . . . . 0.0 112.152 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -48.53 -33.07 22.51 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 125.171 3.914 . . . . 0.0 116.648 -176.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 14.4 p -47.14 -39.25 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 119.178 0.899 . . . . 0.0 113.047 173.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -73.51 -28.74 62.06 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 121.311 -0.868 . . . . 0.0 112.091 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 98' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -60.96 -48.73 80.45 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.116 0.871 . . . . 0.0 109.768 167.316 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -55.35 -45.77 76.45 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 118.631 0.65 . . . . 0.0 110.576 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 64.6 mt -58.5 -62.93 1.49 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.676 1.19 . . . . 0.0 110.964 173.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 56.3 tp -52.06 -45.94 64.93 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.718 0.807 . . . . 0.0 112.789 -178.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 41.1 t -56.46 -51.38 68.67 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.622 1.169 . . . . 0.0 111.626 177.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -60.11 -45.68 92.16 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 122.061 -0.399 . . . . 0.0 111.269 175.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 104' ' ' CYS . . . . . 0.464 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 59.6 m -58.85 -40.9 85.64 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.69 -0.631 . . . . 0.0 112.306 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 64.8 mt -64.35 -45.89 85.82 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.875 0.87 . . . . 0.0 111.423 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.04 -44.99 79.32 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.545 -0.722 . . . . 0.0 111.05 173.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 20.2 t -59.93 -46.57 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.651 1.181 . . . . 0.0 112.401 176.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 10.6 p -66.54 -42.92 86.46 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.78 1.173 . . . . 0.0 111.72 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.06 -45.38 90.94 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.538 1.063 . . . . 0.0 110.811 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.08 -27.87 55.37 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.6 -12.04 60.0 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 178.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -128.47 -17.45 4.16 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 -170.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -111.95 130.78 22.89 Favored Pre-proline 0 CA--C 1.555 1.163 0 C-N-CA 124.266 1.026 . . . . 0.0 109.343 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -47.58 -47.66 17.51 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 124.807 3.672 . . . . 0.0 117.488 -158.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 115' ' ' ALA . . . . . 0.46 ' HA ' ' CE2' ' C' ' 117' ' ' PHE . . . -134.21 18.41 3.72 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.369 1.067 . . . . 0.0 112.171 -178.063 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.43 -16.4 5.72 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 117.149 2.277 . . . . 0.0 117.149 -155.423 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 117' ' ' PHE . . . . . 0.461 ' CE2' ' CG ' ' D' ' 116' ' ' HIS . 27.0 p90 -66.56 12.16 0.08 Allowed 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 126.48 1.912 . . . . 0.0 113.287 162.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.15 162.88 1.81 Allowed Pre-proline 0 N--CA 1.48 1.047 0 C-N-CA 126.138 1.775 . . . . 0.0 112.471 -176.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -52.29 -50.33 14.39 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.675 2.25 . . . . 0.0 113.25 172.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -67.61 -60.26 2.69 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.6 -35.14 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 O-C-N 120.839 -1.163 . . . . 0.0 112.909 -167.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -79.01 -45.56 19.97 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.845 1.202 . . . . 0.0 113.486 176.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.77 -48.59 72.47 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 120.301 1.41 . . . . 0.0 110.245 173.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 50.4 m -59.88 -57.04 14.59 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.653 176.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 27.3 mt -58.38 -42.26 86.65 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 121.507 1.958 . . . . 0.0 113.534 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.76 -52.72 64.29 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 120.074 1.306 . . . . 0.0 111.71 176.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -27.7 63.56 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -68.13 -49.46 60.96 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.062 1.345 . . . . 0.0 110.693 172.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -59.81 -39.4 84.92 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.965 0.802 . . . . 0.0 111.213 172.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.59 -33.66 75.43 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 119.523 1.056 . . . . 0.0 113.78 171.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 36.9 t -71.61 -45.19 62.87 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.622 -1.299 . . . . 0.0 112.119 170.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 57.6 t -51.96 -54.92 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 123.871 0.868 . . . . 0.0 109.487 173.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 95.7 p -64.22 -42.59 96.51 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 119.156 0.889 . . . . 0.0 113.112 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 1.5 m -49.99 -47.64 52.75 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.522 1.055 . . . . 0.0 110.98 171.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 89.2 t -71.1 -44.58 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 O-C-N 121.155 -0.966 . . . . 0.0 111.276 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -16.34 63.95 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 1.4 t -101.23 -17.24 16.69 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.197 1.399 . . . . 0.0 112.427 172.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 CA--C 1.542 0.643 0 C-N-CA 124.2 1.0 . . . . 0.0 112.047 166.94 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.337 2.2 p . . . . . 0 N--CA 1.515 2.8 0 CA-C-O 116.674 -1.631 . . . . 0.0 113.233 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 5.1 m170 39.99 77.74 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 120.583 1.538 . . . . 0.0 113.757 -173.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 63.3 mt -58.41 114.47 2.46 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.135 -0.978 . . . . 0.0 109.68 170.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.63 134.3 82.47 Favored Pre-proline 0 N--CA 1.472 0.658 0 C-N-CA 126.165 1.786 . . . . 0.0 109.08 174.274 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.52 -42.72 41.37 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.094 2.529 . . . . 0.0 116.351 -168.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.92 -40.38 87.61 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.648 -0.658 . . . . 0.0 111.904 176.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.39 -44.66 82.47 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.147 0.979 . . . . 0.0 111.526 173.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -43.23 83.56 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.787 1.176 . . . . 0.0 111.482 171.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 16.9 t -57.74 -45.86 85.26 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.439 1.018 . . . . 0.0 110.83 173.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.78 -59.43 5.23 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 175.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 11' ' ' VAL . . . . . 0.497 HG23 ' CE2' ' D' ' 130' ' ' TYR . 2.6 p -63.7 -46.23 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 CA-C-N 119.757 1.162 . . . . 0.0 112.462 -179.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -75.54 -32.08 60.31 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.321 0.964 . . . . 0.0 111.961 -172.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.69 -37.07 83.98 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.474 1.488 . . . . 0.0 111.875 171.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -32.81 70.82 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.461 -0.775 . . . . 0.0 111.631 173.493 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 7.3 t90 -60.56 -44.06 96.58 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.524 -0.735 . . . . 0.0 112.087 165.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.57 -31.99 57.86 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.693 1.616 . . . . 0.0 115.266 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -95.57 -13.06 24.73 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 118.283 1.041 . . . . 0.0 113.76 174.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.77 132.19 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.748 1.219 . . . . 0.0 111.491 -175.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -82.88 91.78 7.17 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.714 0.806 . . . . 0.0 109.184 172.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -54.76 -36.75 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 119.367 0.985 . . . . 0.0 113.563 -171.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.56 -54.71 31.86 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 118.906 0.776 . . . . 0.0 112.71 172.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -72.61 -56.2 5.7 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 119.36 -0.352 . . . . 0.0 110.198 -175.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -27.46 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 119.01 0.823 . . . . 0.0 112.782 179.074 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.9 -46.73 13.01 Favored Glycine 0 CA--C 1.527 0.823 0 CA-C-N 119.048 0.84 . . . . 0.0 112.256 175.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.99 -41.18 99.96 Favored Glycine 0 N--CA 1.468 0.804 0 CA-C-N 118.337 1.069 . . . . 0.0 112.757 171.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -54.55 -65.89 0.5 Allowed 'General case' 0 C--O 1.214 -0.791 0 C-N-CA 125.112 1.365 . . . . 0.0 109.455 167.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 27' ' ' ALA . . . . . 0.435 ' HA ' HG11 ' D' ' 113' ' ' VAL . . . -54.43 -52.05 63.0 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 121.021 1.737 . . . . 0.0 113.527 -176.326 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 24.5 tp -70.98 -39.74 72.31 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-O 118.266 -0.874 . . . . 0.0 111.432 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.08 -43.32 99.31 Favored Glycine 0 N--CA 1.468 0.787 0 CA-C-N 119.817 1.189 . . . . 0.0 111.72 171.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -40.84 55.94 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.735 1.614 . . . . 0.0 111.423 177.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 31' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' D' ' 106' ' ' LEU . 26.0 tp -49.63 -40.78 40.52 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 123.714 0.806 . . . . 0.0 112.032 176.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.92 -29.73 19.36 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 119.38 -0.343 . . . . 0.0 110.723 -176.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 1.4 m -67.35 -18.1 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.0 2.44 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 119.564 1.074 . . . . 0.0 113.378 168.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.65 39.21 0.6 Allowed Pre-proline 0 CA--C 1.563 1.48 0 C-N-CA 126.263 1.825 . . . . 0.0 114.756 -173.367 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -83.7 158.34 14.14 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 122.195 1.93 . . . . 0.0 111.738 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 32.9 p90 -48.22 -36.17 13.32 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.038 0.935 . . . . 0.0 113.136 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 2.4 m -49.85 -30.81 10.63 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.799 1.639 . . . . 0.0 114.228 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -58.57 -28.24 65.34 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -30.35 69.94 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.493 0.717 . . . . 0.0 112.519 -177.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -87.47 -4.47 59.0 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 176.108 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -89.71 8.64 30.65 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.811 0.845 . . . . 0.0 112.888 175.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -53.74 -31.65 49.2 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 120.455 -1.403 . . . . 0.0 113.328 170.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 48.4 p -59.3 -22.77 61.71 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.026 1.331 . . . . 0.0 114.343 175.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -79.54 -11.27 59.89 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.939 1.295 . . . . 0.0 112.999 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.71 -173.56 12.61 Favored Glycine 0 CA--C 1.537 1.436 0 CA-C-N 119.337 0.971 . . . . 0.0 113.557 -171.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 45.58 -124.34 1.18 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.493 1.117 . . . . 0.0 110.96 -170.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 tt 64.65 -21.94 0.08 Allowed 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 127.567 2.347 . . . . 0.0 116.091 173.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -50.62 -29.8 11.84 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.643 2.377 . . . . 0.0 113.686 173.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 10.9 p -127.68 155.02 77.79 Favored Pre-proline 0 N--CA 1.473 0.706 0 C-N-CA 124.384 1.074 . . . . 0.0 109.456 161.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -70.4 -33.0 14.94 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 121.065 1.177 . . . . 0.0 113.391 177.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -58.89 -38.93 79.99 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.061 0.846 . . . . 0.0 110.502 172.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.93 92.45 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 118.375 -0.821 . . . . 0.0 112.246 171.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.13 -34.29 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 CA-C-N 121.085 1.766 . . . . 0.0 113.4 177.304 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 2.0 ttm -74.3 -34.81 63.61 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.778 0.831 . . . . 0.0 113.171 176.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.48 -31.54 36.94 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.721 0.677 . . . . 0.0 114.246 176.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -49.77 116.45 6.17 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 126.048 1.739 . . . . 0.0 113.506 -171.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -62.56 -26.82 76.18 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.727 2.285 . . . . 0.0 113.292 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -65.87 -43.24 88.93 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.498 1.045 . . . . 0.0 112.117 174.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 26.3 t -69.9 -35.38 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 O-C-N 121.473 -0.767 . . . . 0.0 111.286 174.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -63.08 -51.85 65.02 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.836 1.198 . . . . 0.0 112.277 171.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.23 -46.82 87.45 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.361 1.064 . . . . 0.0 112.677 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -68.02 -35.26 77.99 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.097 -1.002 . . . . 0.0 112.466 175.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.98 -46.2 84.93 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 125.047 1.308 . . . . 0.0 112.702 169.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.79 -42.35 79.31 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 118.289 1.044 . . . . 0.0 111.905 169.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -65.89 -49.65 67.29 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 4.6 m -62.69 -39.73 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 120.033 1.288 . . . . 0.0 111.707 175.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 tt -71.21 -36.73 71.98 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 120.845 -1.16 . . . . 0.0 112.162 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.77 -35.69 75.82 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.674 1.131 . . . . 0.0 113.055 168.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.46 -45.57 75.59 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.264 -1.139 . . . . 0.0 112.426 168.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -58.02 -37.64 74.69 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 120.434 -1.416 . . . . 0.0 112.885 172.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 37.6 p -73.29 -36.85 66.37 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.55 1.068 . . . . 0.0 113.424 176.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -55.54 -35.51 65.77 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.324 0.966 . . . . 0.0 111.3 165.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.93 -63.85 4.93 Favored Glycine 0 C--N 1.339 0.697 0 C-N-CA 123.846 0.736 . . . . 0.0 111.349 167.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 mt -53.73 -21.63 7.56 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 177.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.05 -21.09 22.5 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.689 1.596 . . . . 0.0 114.859 175.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -139.59 41.86 2.02 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.439 1.496 . . . . 0.0 113.264 -171.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.88 -11.71 30.1 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.084 1.512 . . . . 0.0 115.084 177.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.43 -4.95 42.46 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.011 0.924 . . . . 0.0 113.335 170.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.45 -63.4 1.39 Allowed 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -171.197 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 50.91 -13.38 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 118.343 2.72 . . . . 0.0 118.343 -171.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -119.75 -57.53 1.96 Allowed 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.702 1.592 . . . . 0.0 111.105 -178.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.25 -39.37 94.51 Favored Glycine 0 CA--C 1.537 1.435 0 CA-C-N 118.876 0.762 . . . . 0.0 114.067 176.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 3.1 t -71.69 -18.98 62.13 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -121.55 5.69 10.08 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -175.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.98 -39.72 69.3 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 120.648 1.567 . . . . 0.0 113.479 -173.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 17.1 p -63.68 -44.1 94.74 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.931 1.292 . . . . 0.0 112.75 173.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 20.9 mt -68.49 -39.34 81.36 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.539 -0.726 . . . . 0.0 111.829 175.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -63.46 -38.48 91.3 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.244 1.018 . . . . 0.0 111.637 175.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -64.88 -49.78 69.14 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.196 -0.94 . . . . 0.0 112.107 170.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 12.5 tp -50.72 -54.69 21.17 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.14 0.976 . . . . 0.0 111.285 173.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -74.56 10.74 1.22 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.012 1.325 . . . . 0.0 114.239 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 41.9 t -130.47 -58.35 1.05 Allowed 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.934 -1.104 . . . . 0.0 111.704 174.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.65 -40.18 69.86 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.141 0.976 . . . . 0.0 112.893 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.71 -41.51 16.18 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.326 0.65 . . . . 0.0 112.447 178.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.99 82.24 1.44 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.596 1.558 . . . . 0.0 111.521 -176.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -66.22 28.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 126.997 2.119 . . . . 0.0 115.091 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 75.2 t -51.55 145.46 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 127.872 2.469 . . . . 0.0 112.392 -173.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -57.01 131.98 80.05 Favored Pre-proline 0 CA--C 1.553 1.06 0 O-C-N 121.555 -0.716 . . . . 0.0 112.877 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -49.44 -30.29 20.39 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 124.076 3.184 . . . . 0.0 115.49 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -42.72 -46.49 5.13 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.395 1.478 . . . . 0.0 113.897 170.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -64.97 -31.83 73.26 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.232 -0.918 . . . . 0.0 112.752 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -67.2 -45.72 76.06 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.961 0.904 . . . . 0.0 109.96 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 24.8 mtt85 -62.97 -38.54 91.52 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 122.04 -0.412 . . . . 0.0 111.635 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.33 -48.5 81.5 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.099 0.96 . . . . 0.0 112.708 172.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 106' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' D' ' 31' ' ' LEU . 1.4 tt -56.98 -42.5 80.34 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.876 0.762 . . . . 0.0 110.832 174.134 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.3 -63.52 5.21 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 124.348 0.975 . . . . 0.0 114.182 172.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -44.9 -49.27 11.08 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.108 1.763 . . . . 0.0 110.762 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 37.2 t -59.64 -52.55 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 123.653 0.781 . . . . 0.0 112.221 176.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 58.3 tp -56.37 -51.6 67.7 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 119.654 1.115 . . . . 0.0 110.938 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 111' ' ' VAL . . . . . 0.423 HG12 ' HB3' ' D' ' 130' ' ' TYR . 1.4 m -62.84 -31.52 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.796 -179.01 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 22.4 t -66.24 -42.68 88.28 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.289 0.495 . . . . 0.0 111.73 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 113' ' ' VAL . . . . . 0.435 HG11 ' HA ' ' D' ' 27' ' ' ALA 0.261 1.7 m -69.1 -37.39 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 120.679 -1.263 . . . . 0.0 112.472 -178.883 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.79 -36.43 83.87 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.693 -0.629 . . . . 0.0 110.89 172.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.6 -29.96 69.53 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 171.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 116' ' ' HIS . . . . . 0.461 ' CG ' ' CE2' ' C' ' 117' ' ' PHE . 0.8 OUTLIER -77.85 -50.01 13.12 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.579 1.081 . . . . 0.0 112.302 172.764 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.91 -19.14 61.97 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -167.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -129.08 41.26 3.5 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.157 1.783 . . . . 0.0 110.005 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -54.47 -23.02 25.84 Favored Glycine 0 N--CA 1.475 1.271 0 C-N-CA 126.063 1.792 . . . . 0.0 116.088 -177.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -79.75 -8.54 59.31 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 118.879 1.339 . . . . 0.0 113.794 173.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -128.83 3.93 5.41 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 127.364 2.266 . . . . 0.0 112.541 -173.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.85 26.79 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 127.161 2.184 . . . . 0.0 116.108 -171.17 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 29.1 p -46.3 144.48 3.18 Favored Pre-proline 0 N--CA 1.48 1.054 0 O-C-N 120.675 -1.266 . . . . 0.0 113.571 -165.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -40.42 -46.0 4.4 Favored 'Trans proline' 0 CA--C 1.548 1.182 0 C-N-CA 123.335 2.69 . . . . 0.0 116.121 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.83 -26.99 26.66 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 121.684 1.589 . . . . 0.0 115.074 173.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -44.78 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 121.9 2.136 . . . . 0.0 111.765 174.091 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -73.91 -28.28 61.45 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 118.289 -0.862 . . . . 0.0 112.48 175.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.38 -48.35 67.68 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 120.855 1.661 . . . . 0.0 111.688 170.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.41 81.71 Favored 'General case' 0 CA--C 1.527 0.074 0 C-N-CA 124.894 1.278 . . . . 0.0 111.483 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 130' ' ' TYR . . . . . 0.497 ' CE2' HG23 ' D' ' 11' ' ' VAL . 1.0 OUTLIER -54.67 -51.37 65.7 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 118.498 -0.763 . . . . 0.0 111.514 170.694 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.19 -36.1 74.74 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.856 1.207 . . . . 0.0 113.026 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -66.83 -44.0 82.25 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.714 1.143 . . . . 0.0 112.881 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.77 -39.83 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.024 -1.047 . . . . 0.0 112.413 172.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 20.0 t -60.83 -42.27 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.636 1.174 . . . . 0.0 111.972 176.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.0 96.75 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.686 1.194 . . . . 0.0 111.951 174.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -54.59 -49.8 59.73 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.747 -0.474 . . . . 0.0 112.135 169.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 3.7 t -58.33 -47.93 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 117.895 0.848 . . . . 0.0 112.159 172.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.96 -47.53 80.51 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 120.213 1.369 . . . . 0.0 111.836 178.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -66.48 -36.06 81.82 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.749 -0.595 . . . . 0.0 112.308 176.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.28 -48.57 79.3 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.074 -1.016 . . . . 0.0 112.578 173.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 8.9 mt -68.2 -27.79 66.69 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.182 -0.949 . . . . 0.0 111.782 177.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 142' ' ' ALA . . . . . 0.488 ' HA ' ' CE1' ' D' ' 145' ' ' TYR . . . -77.69 -6.79 55.12 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 168.401 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -62.66 -42.17 99.46 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 119.815 -1.803 . . . . 0.0 113.111 -167.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -9.51 3.83 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.447 1.499 . . . . 0.0 114.923 176.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 145' ' ' TYR . . . . . 0.488 ' CE1' ' HA ' ' D' ' 142' ' ' ALA . 1.7 m-30 -70.99 -27.05 63.42 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 119.388 0.995 . . . . 0.0 111.623 -177.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 60.5 m80 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.131 1.772 . . . . 0.0 112.788 177.908 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.27 3.1 p . . . . . 0 N--CA 1.511 2.613 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 58.4 mt -141.98 165.9 26.18 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 120.683 1.583 . . . . 0.0 113.238 -172.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.21 165.66 25.3 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 126.891 2.076 . . . . 0.0 113.2 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -78.57 -49.75 0.08 OUTLIER 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.368 2.712 . . . . 0.0 114.245 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.78 -29.08 70.43 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.344 -0.847 . . . . 0.0 112.501 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -48.01 -61.36 2.01 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.914 1.286 . . . . 0.0 112.184 165.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -54.66 -47.07 74.03 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.746 0.818 . . . . 0.0 110.678 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.7 m -55.04 -49.28 71.98 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 118.95 0.796 . . . . 0.0 112.609 178.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -66.32 -37.66 85.88 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.068 0.849 . . . . 0.0 112.932 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.5 t -63.34 -48.42 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-O 118.732 -0.652 . . . . 0.0 110.925 174.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -58.21 -44.34 88.11 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.521 1.055 . . . . 0.0 111.354 174.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.9 -53.31 59.88 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.31 0.644 . . . . 0.0 111.671 176.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.17 -52.49 65.12 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.34 0.656 . . . . 0.0 111.57 176.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -62.27 -27.21 68.86 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.36 -41.95 97.91 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.625 1.107 . . . . 0.0 113.45 170.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -71.07 -35.93 72.09 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 118.538 1.169 . . . . 0.0 111.172 173.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.04 -43.02 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.445 1.098 . . . . 0.0 111.808 174.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.83 -142.65 7.16 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.51 1.052 . . . . 0.0 114.529 175.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.73 -21.84 63.38 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.313 -1.11 . . . . 0.0 113.951 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -66.35 -10.71 45.89 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.241 1.017 . . . . 0.0 113.372 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -44.95 -48.07 11.36 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.917 1.287 . . . . 0.0 113.531 177.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.53 -35.91 91.84 Favored Glycine 0 C--N 1.34 0.767 0 O-C-N 121.903 -0.498 . . . . 0.0 113.776 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.39 -46.66 82.35 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.453 1.101 . . . . 0.0 110.047 175.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -63.96 -36.2 83.18 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.855 0.862 . . . . 0.0 111.891 176.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.95 -46.39 81.89 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-N 118.783 0.72 . . . . 0.0 112.838 171.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.71 92.71 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.228 1.014 . . . . 0.0 111.605 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.04 -41.39 98.06 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 123.634 0.774 . . . . 0.0 111.728 173.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.09 93.66 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.5 1.045 . . . . 0.0 112.603 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.2 mt -66.47 -50.79 62.14 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.601 1.16 . . . . 0.0 112.111 174.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -57.39 -45.52 84.42 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.442 -0.787 . . . . 0.0 111.822 177.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -47.62 79.04 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.272 1.829 . . . . 0.0 112.156 171.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.9 ttp -57.77 -49.61 76.03 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.765 174.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -61.32 -40.19 93.31 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.601 0.964 . . . . 0.0 113.601 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -83.89 -29.97 26.76 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.9 m -68.58 -43.96 75.4 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 119.804 1.184 . . . . 0.0 112.396 170.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -127.61 81.24 70.56 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 125.906 1.683 . . . . 0.0 109.802 -174.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.11 -27.49 17.18 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.984 3.123 . . . . 0.0 115.052 175.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 p -51.8 -35.98 46.05 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.724 1.21 . . . . 0.0 113.161 170.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.2 p -64.01 -28.11 69.58 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 174.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -63.12 -37.29 86.64 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.665 1.12 . . . . 0.0 112.535 177.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -32.4 73.93 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 121.189 -0.944 . . . . 0.0 113.063 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -62.8 -26.38 68.7 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -156.64 110.94 2.0 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 123.601 0.76 . . . . 0.0 109.921 161.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.89 -133.66 0.01 OUTLIER 'Trans proline' 0 CA--C 1.547 1.145 0 C-N-CA 123.876 3.051 . . . . 0.0 109.567 171.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 p80 58.13 -11.77 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 127.651 2.38 . . . . 0.0 116.823 -174.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -72.36 114.97 11.05 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.491 1.917 . . . . 0.0 112.45 176.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -80.61 69.83 7.2 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.355 1.462 . . . . 0.0 111.202 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.8 mt -69.71 31.86 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 125.874 1.67 . . . . 0.0 114.789 -175.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.4 m -72.71 7.76 1.79 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 127.334 2.254 . . . . 0.0 114.966 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.4 m170 75.89 124.09 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 129.032 2.933 . . . . 0.0 112.641 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.97 1.96 59.58 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 124.908 1.242 . . . . 0.0 114.997 -175.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -53.9 116.93 2.81 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.705 2.002 . . . . 0.0 114.838 -171.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.65 -37.11 72.81 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.518 1.127 . . . . 0.0 113.451 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -68.2 -31.51 71.08 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 176.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.6 t -72.92 -48.5 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 119.87 1.214 . . . . 0.0 110.837 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -60.11 -42.08 93.96 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.357 0.526 . . . . 0.0 111.638 173.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.38 -48.76 79.96 Favored Glycine 0 N--CA 1.47 0.911 0 C-N-CA 124.127 0.87 . . . . 0.0 113.06 175.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -58.65 -42.94 89.53 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.923 1.361 . . . . 0.0 111.789 173.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.9 -50.68 49.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 121.45 -0.781 . . . . 0.0 113.589 170.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -55.11 -44.99 75.45 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.311 1.044 . . . . 0.0 112.215 172.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -63.46 -50.65 68.89 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.988 0.915 . . . . 0.0 112.502 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 80.4 t -54.57 -47.45 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-N 118.98 0.809 . . . . 0.0 110.785 174.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.477 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -62.89 -41.26 99.36 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.81 -38.69 91.72 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 118.941 0.792 . . . . 0.0 111.422 175.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.498 ' HB1' HD11 ' A' ' 83' ' ' LEU . . . -66.13 -30.3 70.76 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 169.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.47 -43.43 94.23 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.863 1.21 . . . . 0.0 110.904 167.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.0 m -58.88 -46.28 88.2 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.36 1.436 . . . . 0.0 112.686 170.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -30.52 69.8 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.034 -1.041 . . . . 0.0 112.973 179.172 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.61 -56.97 14.1 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 124.241 1.016 . . . . 0.0 110.554 163.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.5 t -53.05 -41.56 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-N 119.584 1.084 . . . . 0.0 112.845 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.5 -23.87 67.58 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -138.35 29.77 2.43 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.406 1.482 . . . . 0.0 111.827 -172.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.1 p -62.67 -30.22 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -162.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -78.08 -15.09 59.2 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 173.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.3 17.46 10.64 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 127.946 2.499 . . . . 0.0 111.178 -173.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.3 ttp -55.96 -29.42 5.72 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 126.403 1.881 . . . . 0.0 115.899 -170.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -50.25 23.53 0.02 OUTLIER 'Trans proline' 0 CA--C 1.551 1.354 1 C-N-CA 126.638 4.892 . . . . 0.0 119.123 161.088 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -150.2 -35.98 0.16 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.759 2.024 . . . . 0.0 111.066 169.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.89 -33.91 65.04 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 176.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 mt -96.81 7.51 46.44 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -175.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -55.39 -38.47 68.91 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 120.705 1.593 . . . . 0.0 114.67 -175.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.95 73.52 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.949 -1.094 . . . . 0.0 112.634 172.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.498 HD11 ' HB1' ' A' ' 65' ' ' ALA . 2.3 mt -79.64 -31.04 41.48 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.577 1.151 . . . . 0.0 111.216 179.1 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.0 t -54.8 -49.52 70.77 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 117.731 -1.128 . . . . 0.0 110.813 162.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -57.26 -36.67 71.27 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 120.396 1.453 . . . . 0.0 113.553 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -56.83 -62.01 2.04 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.984 0.811 . . . . 0.0 111.024 170.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.63 -25.65 66.69 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.012 -1.055 . . . . 0.0 113.77 -178.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.3 -33.37 16.13 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.896 1.225 . . . . 0.0 113.521 -173.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -135.06 2.71 3.1 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -169.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -135.98 -17.97 1.61 Allowed 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.8 mt -141.34 -46.66 0.38 Allowed 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 116.493 2.034 . . . . 0.0 116.493 -172.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 46.68 32.64 1.78 Allowed 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 126.418 1.887 . . . . 0.0 115.596 -176.414 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.36 142.05 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.319 1.047 . . . . 0.0 111.955 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -58.56 131.65 85.44 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 124.999 1.32 . . . . 0.0 111.801 172.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -45.16 -19.91 0.39 Allowed 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 124.698 3.599 . . . . 0.0 116.84 173.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.2 p -47.93 -40.61 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 O-C-N 120.172 -1.58 . . . . 0.0 113.361 170.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -63.38 -33.93 76.62 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.117 -0.99 . . . . 0.0 112.378 174.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -57.96 -49.62 76.19 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 119.501 1.046 . . . . 0.0 109.326 173.341 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -57.79 -40.33 79.62 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.982 0.896 . . . . 0.0 111.109 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.24 -51.11 62.94 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.764 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.2 tp -57.72 -47.92 81.04 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.649 -0.657 . . . . 0.0 112.708 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.3 p -63.57 -43.39 97.14 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.303 0.956 . . . . 0.0 111.683 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -58.46 -52.12 66.95 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 122.692 0.397 . . . . 0.0 110.621 172.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 92.7 m -60.28 -32.68 71.41 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.4 mt -68.34 -48.31 65.2 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 124.258 1.023 . . . . 0.0 111.863 173.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.0 mt -54.69 -40.53 69.25 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.426 -0.796 . . . . 0.0 110.652 173.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.6 -45.77 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 124.033 0.933 . . . . 0.0 112.826 174.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.6 p -67.58 -32.12 72.65 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.276 1.398 . . . . 0.0 112.333 177.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.71 -45.22 90.97 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.155 0.889 . . . . 0.0 111.059 169.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.07 -32.81 64.45 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.26 -12.42 61.58 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 177.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -128.48 -16.89 4.27 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -173.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.1 mp -114.4 124.63 30.38 Favored Pre-proline 0 CA--C 1.557 1.223 0 C-N-CA 124.907 1.283 . . . . 0.0 109.099 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -40.2 -61.03 0.49 Allowed 'Trans proline' 0 C--N 1.357 1.003 1 C-N-CA 125.689 4.259 . . . . 0.0 118.0 -159.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -132.63 40.8 3.24 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 125.275 1.43 . . . . 0.0 108.86 176.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -21.29 6.13 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 -164.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.401 ' HA ' ' HB2' ' A' ' 122' ' ' HIS . 13.0 p90 -62.97 7.99 0.07 Allowed 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 165.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.9 149.84 5.91 Favored Pre-proline 0 N--CA 1.477 0.923 0 CA-C-N 120.777 1.626 . . . . 0.0 111.398 -178.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -48.98 -39.87 40.49 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.513 2.142 . . . . 0.0 114.83 173.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.12 -60.14 2.38 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 174.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.94 -38.05 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 120.877 -1.14 . . . . 0.0 112.695 -169.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.438 ' CD2' HG22 ' B' ' 34' ' ' VAL . 1.7 t60 -78.34 -43.67 27.16 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 125.349 1.46 . . . . 0.0 113.628 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.23 -48.4 76.55 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-N 119.876 1.216 . . . . 0.0 109.499 172.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.7 m -53.59 -63.29 1.2 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.709 0.804 . . . . 0.0 112.042 173.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 37.3 mt -61.22 -40.81 95.38 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 120.473 -1.392 . . . . 0.0 113.956 -175.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.04 -48.94 74.3 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.264 1.393 . . . . 0.0 111.678 177.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -28.44 65.83 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 118.727 0.694 . . . . 0.0 112.747 178.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -67.92 -45.53 74.09 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.504 1.047 . . . . 0.0 111.446 169.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.27 -31.08 69.89 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.335 -1.478 . . . . 0.0 111.417 170.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.87 65.85 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 172.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 79.0 p -78.57 -42.28 29.6 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.397 -1.439 . . . . 0.0 111.658 170.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 73.0 t -50.43 -54.46 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.615 1.166 . . . . 0.0 109.582 169.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 87.0 p -63.63 -46.75 84.27 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.9 m -48.44 -51.66 25.82 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 118.848 0.749 . . . . 0.0 110.566 173.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 91.4 t -67.35 -43.27 87.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 118.391 0.542 . . . . 0.0 111.367 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -32.05 65.3 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.2 0.909 . . . . 0.0 113.049 175.029 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 98.8 m -93.85 -7.9 41.92 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.227 2.211 . . . . 0.0 112.929 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.474 0.74 0 C-N-CA 125.195 1.398 . . . . 0.0 111.551 -171.313 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' VAL . . . . . 0.457 HG13 ' H ' ' B' ' 2' ' ' HIS 0.312 5.2 p . . . . . 0 N--CA 1.516 2.856 0 CA-C-O 116.995 -1.478 . . . . 0.0 112.919 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 2' ' ' HIS . . . . . 0.457 ' H ' HG13 ' B' ' 1' ' ' VAL . 44.4 m80 20.2 70.84 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 128.213 2.605 . . . . 0.0 115.266 -177.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.38 156.84 12.09 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.036 0.534 . . . . 0.0 111.286 -177.283 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.58 147.29 83.79 Favored Pre-proline 0 N--CA 1.479 1.003 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 162.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -50.77 -38.45 56.78 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 123.099 2.533 . . . . 0.0 114.863 175.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -73.84 -36.04 64.87 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.875 0.761 . . . . 0.0 111.875 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.32 -41.05 81.39 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.502 -0.749 . . . . 0.0 111.393 171.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -54.9 -50.89 67.64 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.894 0.877 . . . . 0.0 110.736 170.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 45.4 m -55.61 -43.12 75.8 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.449 1.022 . . . . 0.0 112.137 174.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.11 -48.43 80.22 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 177.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.6 p -69.06 -55.45 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 CA-C-N 119.459 1.027 . . . . 0.0 112.461 174.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -68.45 -34.77 76.55 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.696 -1.252 . . . . 0.0 112.678 -169.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.25 -37.6 85.88 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.683 1.129 . . . . 0.0 112.207 174.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 tt -67.92 -35.39 78.37 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.456 -0.777 . . . . 0.0 111.106 172.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' TRP . . . . . 0.4 ' CZ2' ' CD1' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -61.49 -32.02 72.02 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 167.753 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.55 -37.38 93.25 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.303 0.954 . . . . 0.0 114.012 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -90.4 -16.94 28.13 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 176.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.68 135.44 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 123.838 0.855 . . . . 0.0 112.603 -167.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -87.08 87.91 7.57 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.806 0.842 . . . . 0.0 109.255 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.513 HG13 HD22 ' B' ' 68' ' ' LEU . 70.3 t -52.78 -38.9 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 CA-C-N 119.574 1.079 . . . . 0.0 113.864 -170.172 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -45.39 76.32 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.898 0.772 . . . . 0.0 112.789 175.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -79.31 -52.87 7.54 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.834 -0.541 . . . . 0.0 110.762 -175.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.97 -30.93 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 123.73 0.812 . . . . 0.0 111.825 175.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.21 -45.74 18.44 Favored Glycine 0 C--N 1.342 0.865 0 CA-C-N 119.395 0.998 . . . . 0.0 112.067 177.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.55 -45.11 96.93 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 117.926 0.863 . . . . 0.0 112.538 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.15 -29.48 68.38 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 118.083 -0.961 . . . . 0.0 112.08 174.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.525 ' HA ' HG11 ' B' ' 113' ' ' VAL . . . -68.97 -62.28 1.45 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 121.189 1.813 . . . . 0.0 111.693 172.266 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.4 tp -64.05 -37.37 87.18 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.745 -0.597 . . . . 0.0 110.448 -176.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.685 ' O ' HG13 ' B' ' 33' ' ' VAL . . . -48.78 -62.8 4.27 Favored Glycine 0 CA--C 1.525 0.692 0 CA-C-O 118.239 -1.312 . . . . 0.0 112.012 161.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -50.54 -26.13 4.88 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 120.229 2.015 . . . . 0.0 114.261 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tt -77.73 -51.11 11.08 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 120.507 1.503 . . . . 0.0 111.462 169.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -76.72 -8.9 58.16 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.906 -1.121 . . . . 0.0 113.113 -176.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.685 HG13 ' O ' ' B' ' 29' ' ' GLY . 3.0 m -74.91 -26.44 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 119.842 1.201 . . . . 0.0 114.186 172.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.438 HG22 ' CD2' ' A' ' 122' ' ' HIS . 0.3 OUTLIER -76.12 1.42 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 CA-C-N 119.874 1.215 . . . . 0.0 113.846 -167.041 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.4 42.32 1.24 Allowed Pre-proline 0 CA--C 1.557 1.242 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -162.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -73.88 164.23 35.11 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.49 2.127 . . . . 0.0 111.78 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -54.38 -32.84 57.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.438 1.095 . . . . 0.0 113.422 168.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 16.8 p -57.74 -20.59 35.9 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 120.606 -1.309 . . . . 0.0 113.638 173.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -60.03 -16.63 32.64 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 171.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.28 -41.81 19.62 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 121.461 1.937 . . . . 0.0 112.083 169.359 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -74.66 3.22 8.21 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 0.405 ' HB2' HD13 ' B' ' 48' ' ' LEU . 6.2 p90 -50.52 -23.16 2.32 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -179.172 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -50.54 -33.95 23.58 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 171.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.23 6.23 26.88 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 176.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -123.96 23.74 8.48 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.306 1.842 . . . . 0.0 111.206 -174.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.27 -97.2 0.03 OUTLIER Glycine 0 CA--C 1.539 1.569 0 C-N-CA 125.935 1.731 . . . . 0.0 116.052 168.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.79 -94.45 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 125.602 1.561 . . . . 0.0 112.788 -174.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.405 HD13 ' HB2' ' B' ' 42' ' ' PHE . 10.2 tt 58.46 -23.33 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 129.199 2.999 . . . . 0.0 118.023 174.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 59.3 p -53.81 -17.03 2.04 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 127.669 2.388 . . . . 0.0 115.939 -175.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 13.7 p -135.46 159.62 70.93 Favored Pre-proline 0 N--CA 1.472 0.672 0 C-N-CA 125.683 1.593 . . . . 0.0 111.604 166.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -57.61 -50.07 11.68 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.447 2.764 . . . . 0.0 114.451 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.29 -34.62 75.51 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.696 -0.627 . . . . 0.0 112.246 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.15 -51.26 70.37 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.458 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.81 -31.63 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 CA-C-N 121.294 1.861 . . . . 0.0 114.215 -174.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 6.1 ptp -90.6 -18.0 25.93 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 177.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.64 -14.1 55.86 Favored Glycine 0 CA--C 1.541 1.682 0 C-N-CA 124.238 0.923 . . . . 0.0 114.488 170.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -65.26 120.77 70.25 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 127.178 2.191 . . . . 0.0 113.308 -173.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -63.3 -32.53 72.76 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.783 2.322 . . . . 0.0 112.729 -177.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 38.9 tttp -70.55 -38.77 74.21 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.82 0.848 . . . . 0.0 112.309 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 72.6 t -65.9 -41.89 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.63 -0.669 . . . . 0.0 111.04 171.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -65.72 -44.23 86.66 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.472 1.033 . . . . 0.0 111.624 175.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.54 -50.19 73.67 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.673 1.124 . . . . 0.0 113.362 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -64.62 -35.85 82.36 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.002 -1.062 . . . . 0.0 111.629 173.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.57 -48.53 84.01 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 124.426 1.012 . . . . 0.0 112.78 173.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -58.25 -39.03 78.09 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.487 1.115 . . . . 0.0 111.999 171.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -66.82 -53.0 37.19 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.188 0.995 . . . . 0.0 113.374 175.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 4.5 m -60.14 -38.31 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 120.234 1.379 . . . . 0.0 111.61 176.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.513 HD22 HG13 ' B' ' 20' ' ' VAL . 7.0 tt -69.2 -44.97 71.03 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.403 -0.811 . . . . 0.0 111.903 175.374 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.73 -41.75 75.9 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.825 1.202 . . . . 0.0 112.029 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.29 89.89 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 171.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.4 ' CD1' ' CZ2' ' B' ' 15' ' ' TRP . 7.4 t80 -55.77 -41.58 74.23 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.884 -1.135 . . . . 0.0 112.1 170.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -63.74 -44.08 94.58 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.193 0.997 . . . . 0.0 112.228 176.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -30.31 66.21 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.761 1.224 . . . . 0.0 111.85 170.261 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.53 -63.2 5.44 Favored Glycine 0 C--N 1.34 0.753 0 C-N-CA 125.002 1.287 . . . . 0.0 110.659 169.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.56 -32.09 62.7 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.814 1.307 . . . . 0.0 113.833 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.84 -28.91 67.95 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 173.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -142.78 45.1 1.59 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.488 1.515 . . . . 0.0 113.183 -169.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.76 -19.66 59.69 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 120.774 -1.204 . . . . 0.0 113.987 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.85 -40.44 21.43 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.607 1.963 . . . . 0.0 114.041 177.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -157.29 134.39 10.29 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.303 1.041 . . . . 0.0 111.22 169.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 48.1 mt -104.15 -43.4 5.26 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.35 0.66 . . . . 0.0 112.142 -173.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -57.61 -24.84 58.56 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 125.541 1.536 . . . . 0.0 113.929 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.94 4.04 58.91 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 126.235 1.874 . . . . 0.0 115.429 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.23 -19.84 5.43 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.098 1.449 . . . . 0.0 113.529 173.22 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -106.83 13.3 28.0 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.681 1.193 . . . . 0.0 113.875 174.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.41 -40.14 64.88 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.93 1.241 . . . . 0.0 113.753 -177.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 6.2 p -64.42 -42.45 96.03 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.443 1.097 . . . . 0.0 112.664 173.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 15.4 mt -70.07 -32.79 71.05 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.702 -0.623 . . . . 0.0 112.026 175.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 7.3 t -62.93 -46.65 86.76 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.035 0.934 . . . . 0.0 111.31 172.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -62.71 -37.95 88.51 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.245 -0.91 . . . . 0.0 112.728 171.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.54 -56.66 17.6 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.557 -1.339 . . . . 0.0 111.953 174.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -73.96 -21.96 59.81 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 37.9 t -97.41 -53.3 3.5 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 174.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -85.83 -38.57 17.99 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.62 1.555 . . . . 0.0 113.264 -171.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -85.5 -28.65 24.84 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 77.1 mt -119.44 -39.59 2.87 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -174.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 50.89 18.09 0.48 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 127.646 2.378 . . . . 0.0 116.316 -178.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 1.3 m -52.02 140.96 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.015 1.726 . . . . 0.0 112.672 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.07 136.27 96.61 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-O 119.13 -0.462 . . . . 0.0 112.22 -175.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -48.78 -35.27 30.18 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.12 3.214 . . . . 0.0 116.599 -175.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -50.25 -30.39 11.6 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.32 -1.488 . . . . 0.0 113.274 173.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -62.76 -37.79 88.0 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.328 1.051 . . . . 0.0 111.597 176.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 103' ' ' PHE . . . . . 0.473 ' CD1' ' HB1' ' B' ' 138' ' ' ALA . 0.4 OUTLIER -61.59 -46.26 90.6 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.625 1.102 . . . . 0.0 110.513 172.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 104' ' ' ARG . . . . . 0.407 ' N ' ' CD1' ' B' ' 103' ' ' PHE . 8.3 tpm_? -64.65 -36.9 85.75 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.922 0.889 . . . . 0.0 110.166 -173.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -47.6 85.64 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.175 0.99 . . . . 0.0 111.911 170.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -38.24 85.4 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.431 1.014 . . . . 0.0 111.403 176.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 107' ' ' GLY . . . . . 0.415 ' O ' HG13 ' B' ' 111' ' ' VAL . . . -64.05 -54.42 30.5 Favored Glycine 0 N--CA 1.466 0.69 0 O-C-N 121.51 -0.744 . . . . 0.0 113.236 174.144 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -58.11 -32.02 67.7 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 118.04 0.92 . . . . 0.0 111.536 177.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 6.7 t -63.67 -57.02 13.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 120.869 -1.144 . . . . 0.0 112.052 167.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 48.4 tp -56.35 -45.49 80.4 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 119.362 0.983 . . . . 0.0 111.796 -176.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.676 HG12 ' HB3' ' B' ' 130' ' ' TYR . 2.6 m -61.7 -26.7 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 121.452 -0.78 . . . . 0.0 112.389 178.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 20.3 t -94.21 -35.11 12.63 Favored 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -172.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 113' ' ' VAL . . . . . 0.525 HG11 ' HA ' ' B' ' 27' ' ' ALA . 0.2 OUTLIER -55.84 -38.57 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-N 120.106 1.321 . . . . 0.0 110.183 167.339 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 35.7 mt -64.0 -43.54 95.37 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.129 0.422 . . . . 0.0 111.357 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.02 -21.92 65.29 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 170.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.98 -60.01 2.51 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.128 0.876 . . . . 0.0 111.103 167.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -66.82 -26.0 66.72 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.606 0.639 . . . . 0.0 112.418 -170.365 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -129.99 39.38 3.69 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.857 1.663 . . . . 0.0 110.282 -175.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -49.05 -40.32 27.92 Favored Glycine 0 N--CA 1.474 1.192 0 C-N-CA 125.171 1.367 . . . . 0.0 114.629 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -9.6 5.49 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 171.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -134.82 11.09 3.66 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.163 1.785 . . . . 0.0 113.078 -176.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.16 27.14 0.06 Allowed 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -168.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 18.9 p -43.46 144.73 1.22 Allowed Pre-proline 0 N--CA 1.485 1.298 0 CA-C-N 120.23 1.377 . . . . 0.0 114.375 -159.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -41.64 -47.38 6.06 Favored 'Trans proline' 0 CA--C 1.546 1.108 0 C-N-CA 122.951 2.434 . . . . 0.0 115.444 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.58 -23.75 31.28 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 121.911 1.741 . . . . 0.0 115.229 173.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.44 -47.96 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 121.135 1.789 . . . . 0.0 110.413 173.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -64.26 -43.75 93.89 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.247 -0.908 . . . . 0.0 111.524 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.79 -32.6 69.47 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.386 0.675 . . . . 0.0 112.562 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.67 -52.18 22.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.429 0.691 . . . . 0.0 110.419 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.676 ' HB3' HG12 ' B' ' 111' ' ' VAL . 45.6 m-85 -53.67 -46.87 70.76 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.517 0.599 . . . . 0.0 112.052 172.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -59.81 -39.25 84.37 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 117.912 -1.042 . . . . 0.0 112.971 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.34 -39.85 89.46 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 120.283 1.401 . . . . 0.0 113.377 172.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 17.5 t -65.88 -47.31 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 CA-C-N 119.754 1.161 . . . . 0.0 111.084 174.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.64 -40.84 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.223 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.76 -44.66 86.31 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.997 1.271 . . . . 0.0 111.22 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -60.08 -54.56 36.39 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 121.784 -0.573 . . . . 0.0 112.993 171.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -44.46 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 118.353 1.076 . . . . 0.0 110.465 -177.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 138' ' ' ALA . . . . . 0.473 ' HB1' ' CD1' ' B' ' 103' ' ' PHE . . . -65.04 -41.74 94.96 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.579 1.152 . . . . 0.0 113.315 176.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -64.55 -19.55 65.69 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.416 1.007 . . . . 0.0 112.404 172.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.35 24.26 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.095 -1.003 . . . . 0.0 111.897 165.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.38 -27.65 69.23 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.551 -1.343 . . . . 0.0 112.799 174.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -75.11 -15.58 60.59 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.611 1.964 . . . . 0.0 113.922 172.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -52.87 -44.76 67.07 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.943 1.701 . . . . 0.0 114.286 -173.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -68.94 -15.0 63.37 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 173.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.555 1.16 0 C-N-CA 126.595 1.958 . . . . 0.0 113.281 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.272 3.0 p . . . . . 0 N--CA 1.513 2.698 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 58.6 mt -141.96 165.98 25.97 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 120.645 1.566 . . . . 0.0 113.282 -172.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.35 165.79 24.37 Favored Pre-proline 0 N--CA 1.479 0.983 0 C-N-CA 126.826 2.051 . . . . 0.0 113.15 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -78.76 -49.74 0.08 OUTLIER 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 123.362 2.708 . . . . 0.0 114.138 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.72 -29.19 70.48 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 121.367 -0.833 . . . . 0.0 112.408 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -47.93 -61.43 1.96 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.856 1.262 . . . . 0.0 112.2 165.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -54.51 -47.25 73.3 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.82 0.848 . . . . 0.0 110.599 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 56.5 m -54.99 -49.23 72.01 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 118.819 0.736 . . . . 0.0 112.6 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -66.44 -37.43 85.14 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.997 0.817 . . . . 0.0 112.993 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 84.9 t -63.5 -48.34 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 118.753 -0.641 . . . . 0.0 110.922 174.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -58.32 -44.27 88.55 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.496 1.044 . . . . 0.0 111.284 174.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.88 -53.36 59.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.376 0.671 . . . . 0.0 111.661 176.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.2 -52.42 65.38 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.225 0.61 . . . . 0.0 111.598 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -62.21 -27.34 68.91 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.25 -42.03 98.03 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.613 1.101 . . . . 0.0 113.42 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -70.98 -36.01 72.33 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 118.592 1.196 . . . . 0.0 111.195 173.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.97 -43.0 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.436 1.094 . . . . 0.0 111.856 174.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.78 -142.6 7.12 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.501 1.048 . . . . 0.0 114.568 175.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.72 -21.82 63.34 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -66.26 -10.91 46.78 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.344 1.058 . . . . 0.0 113.394 177.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.481 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -44.8 -48.22 10.94 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.88 1.272 . . . . 0.0 113.589 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.27 -36.12 92.39 Favored Glycine 0 N--CA 1.467 0.748 0 O-C-N 121.893 -0.505 . . . . 0.0 113.859 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.38 -46.51 83.0 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.395 1.078 . . . . 0.0 110.11 175.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -64.04 -36.2 83.23 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.75 0.82 . . . . 0.0 111.972 176.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.88 -46.36 82.66 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-N 118.67 0.668 . . . . 0.0 112.862 171.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.75 92.54 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.194 0.997 . . . . 0.0 111.602 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.97 -41.39 97.96 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 123.592 0.757 . . . . 0.0 111.86 173.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.18 -39.02 93.45 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.347 0.976 . . . . 0.0 112.671 176.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 45.5 mt -66.46 -50.83 62.01 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.632 1.173 . . . . 0.0 112.079 173.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -57.33 -45.59 84.12 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.363 -0.836 . . . . 0.0 111.786 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -47.47 79.95 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.18 1.792 . . . . 0.0 112.088 172.106 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 62.9 ttp -57.76 -49.64 75.92 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 118.69 0.677 . . . . 0.0 111.772 174.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -61.31 -40.25 93.5 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 pp -84.0 -29.63 26.81 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 66.2 m -68.65 -44.1 74.84 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.79 1.177 . . . . 0.0 112.316 170.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -127.58 81.28 70.46 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 125.89 1.676 . . . . 0.0 109.72 -174.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -50.1 -27.36 16.84 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.815 3.01 . . . . 0.0 115.193 175.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 2.2 p -51.92 -35.84 46.95 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.78 1.232 . . . . 0.0 113.122 170.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 69.7 p -64.33 -27.82 69.29 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -63.18 -37.26 86.54 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.619 1.099 . . . . 0.0 112.527 177.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.19 -32.27 73.79 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 121.179 -0.951 . . . . 0.0 113.016 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -62.81 -26.35 68.7 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -176.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -156.78 110.85 1.97 Allowed Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 123.446 0.699 . . . . 0.0 109.813 161.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -74.81 -133.77 0.01 OUTLIER 'Trans proline' 0 CA--C 1.549 1.253 0 C-N-CA 123.817 3.012 . . . . 0.0 109.552 171.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 p80 58.32 -11.85 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 127.579 2.352 . . . . 0.0 116.709 -174.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -72.29 114.95 10.95 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.523 1.929 . . . . 0.0 112.418 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -80.67 69.87 7.29 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.326 1.45 . . . . 0.0 111.148 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 36.8 mt -69.54 31.82 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.872 1.669 . . . . 0.0 114.836 -175.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 33.9 m -72.89 7.96 1.77 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.283 2.233 . . . . 0.0 114.962 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 12.5 m170 75.61 124.3 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 129.106 2.963 . . . . 0.0 112.657 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.92 2.04 59.64 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 124.909 1.243 . . . . 0.0 114.986 -175.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -53.98 117.01 2.87 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.835 2.054 . . . . 0.0 114.681 -170.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.72 -37.17 73.06 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.512 1.125 . . . . 0.0 113.373 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -68.17 -31.61 71.28 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 176.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 64.5 t -72.95 -48.34 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 119.897 1.226 . . . . 0.0 110.857 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -60.27 -41.92 94.29 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.338 0.517 . . . . 0.0 111.721 173.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.43 -48.67 80.44 Favored Glycine 0 N--CA 1.469 0.89 0 C-N-CA 124.168 0.889 . . . . 0.0 113.106 175.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -58.71 -43.05 90.0 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.868 1.334 . . . . 0.0 111.681 173.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.84 -50.69 49.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 121.437 -0.79 . . . . 0.0 113.581 170.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -55.06 -45.01 75.26 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.268 1.027 . . . . 0.0 112.201 172.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -63.6 -50.45 69.38 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.876 0.871 . . . . 0.0 112.512 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 80.6 t -54.74 -47.25 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.841 0.746 . . . . 0.0 110.859 174.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 63' ' ' ALA . . . . . 0.481 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -62.89 -41.29 99.37 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 178.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.96 -38.46 91.19 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.77 0.713 . . . . 0.0 111.394 175.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 65' ' ' ALA . . . . . 0.475 ' HB1' HD11 ' C' ' 83' ' ' LEU . . . -66.22 -30.35 70.78 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 169.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.46 -43.42 94.3 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.894 1.225 . . . . 0.0 111.001 167.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 29.8 m -58.8 -46.39 87.7 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 120.266 1.394 . . . . 0.0 112.662 170.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -30.58 69.96 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.002 -1.061 . . . . 0.0 112.941 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.79 -56.77 16.0 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.269 1.028 . . . . 0.0 110.441 163.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 71.4 t -53.14 -41.54 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.709 1.14 . . . . 0.0 112.674 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.64 -23.88 67.56 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -138.3 29.67 2.45 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.442 1.497 . . . . 0.0 111.87 -172.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 12.9 p -62.76 -30.18 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -162.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -78.02 -15.14 59.19 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 173.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.3 17.5 10.64 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.883 2.473 . . . . 0.0 111.053 -173.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 13.3 ttp -55.91 -29.53 5.91 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 126.359 1.864 . . . . 0.0 115.906 -170.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -50.05 23.39 0.02 OUTLIER 'Trans proline' 0 CA--C 1.553 1.426 1 C-N-CA 126.743 4.962 . . . . 0.0 119.09 161.112 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -150.18 -36.05 0.16 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.745 2.018 . . . . 0.0 111.014 169.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.77 -33.97 64.82 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 mt -96.83 7.6 46.24 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -175.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 67.3 m -55.47 -38.38 69.02 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 120.672 1.578 . . . . 0.0 114.601 -175.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.09 -32.84 73.43 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.913 -1.117 . . . . 0.0 112.677 172.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 83' ' ' LEU . . . . . 0.475 HD11 ' HB1' ' C' ' 65' ' ' ALA . 2.3 mt -79.78 -31.0 40.82 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.624 1.17 . . . . 0.0 111.206 179.061 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 45.1 t -54.82 -49.62 70.57 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 117.74 -1.124 . . . . 0.0 110.767 162.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -57.19 -36.69 71.13 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.45 1.477 . . . . 0.0 113.572 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -56.76 -62.23 1.88 Allowed 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.023 0.829 . . . . 0.0 110.853 170.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.57 -25.5 66.67 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -178.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.49 -33.2 16.04 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.926 1.239 . . . . 0.0 113.547 -173.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -135.19 2.79 3.08 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 -169.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -135.98 -18.2 1.6 Allowed 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 16.7 mt -141.23 -46.46 0.38 Allowed 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 116.539 2.051 . . . . 0.0 116.539 -172.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 46.46 32.62 1.65 Allowed 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 126.413 1.885 . . . . 0.0 115.708 -176.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 95.3 t -71.3 142.09 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.392 1.077 . . . . 0.0 111.93 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -58.65 131.74 85.74 Favored Pre-proline 0 CA--C 1.554 1.131 0 C-N-CA 125.051 1.34 . . . . 0.0 111.693 172.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -45.22 -19.84 0.4 Allowed 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.765 3.643 . . . . 0.0 116.793 173.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 10.2 p -47.92 -40.71 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 120.105 -1.622 . . . . 0.0 113.402 170.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -63.38 -33.9 76.56 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.198 -0.939 . . . . 0.0 112.379 174.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 98' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -57.98 -49.56 76.4 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.449 1.022 . . . . 0.0 109.316 173.345 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -57.89 -40.3 79.94 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.927 0.87 . . . . 0.0 110.978 -174.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.28 -51.12 62.83 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.653 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 52.4 tp -57.67 -48.05 80.58 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.644 -0.66 . . . . 0.0 112.666 176.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 88.1 p -63.58 -43.41 97.08 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.329 0.968 . . . . 0.0 111.681 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -58.51 -51.99 67.55 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.618 0.367 . . . . 0.0 110.633 172.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 92.7 m -60.49 -32.43 71.42 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 36.5 mt -68.5 -48.23 64.94 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.153 0.981 . . . . 0.0 111.809 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 18.1 mt -54.72 -40.57 69.37 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.488 -0.757 . . . . 0.0 110.64 173.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 76.2 t -63.52 -45.73 96.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.04 0.936 . . . . 0.0 112.877 174.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 19.6 p -67.57 -32.23 72.84 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 120.328 1.422 . . . . 0.0 112.446 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.75 -45.14 91.19 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.996 0.816 . . . . 0.0 111.082 169.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.06 -32.87 64.47 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.41 -12.24 61.45 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -128.56 -16.85 4.23 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -173.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.0 mp -114.38 124.49 30.64 Favored Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 124.969 1.308 . . . . 0.0 109.197 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -40.19 -61.03 0.49 Allowed 'Trans proline' 0 C--N 1.358 1.037 1 C-N-CA 125.789 4.326 . . . . 0.0 117.981 -159.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -132.62 40.96 3.23 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 125.321 1.448 . . . . 0.0 108.836 176.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -21.37 6.33 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -164.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -62.85 7.94 0.07 Allowed 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 165.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.82 149.87 5.77 Favored Pre-proline 0 N--CA 1.477 0.911 0 CA-C-N 120.856 1.662 . . . . 0.0 111.268 -178.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -48.95 -40.06 40.29 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.526 2.151 . . . . 0.0 114.784 173.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.02 -60.21 2.35 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 174.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.93 -37.96 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 120.954 -1.091 . . . . 0.0 112.694 -169.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 122' ' ' HIS . . . . . 0.438 ' CD2' HG22 ' D' ' 34' ' ' VAL . 1.7 t60 -78.36 -43.71 26.99 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.382 1.473 . . . . 0.0 113.57 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.32 -48.32 76.96 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 119.832 1.196 . . . . 0.0 109.438 172.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 29.3 m -53.74 -63.24 1.21 Allowed 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.572 0.749 . . . . 0.0 112.046 173.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 37.6 mt -61.12 -40.81 95.18 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 120.516 -1.365 . . . . 0.0 113.895 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -64.23 -48.73 74.69 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 120.29 1.404 . . . . 0.0 111.702 177.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -28.24 65.44 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.69 0.677 . . . . 0.0 112.721 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -67.95 -45.57 73.87 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.511 1.051 . . . . 0.0 111.501 169.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.11 -31.2 69.82 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.289 -1.507 . . . . 0.0 111.443 170.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.87 -30.8 65.8 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 172.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 78.9 p -78.71 -42.27 28.81 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.25 -1.531 . . . . 0.0 111.627 170.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 73.4 t -50.41 -54.53 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.659 1.183 . . . . 0.0 109.586 169.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 87.4 p -63.68 -46.71 84.3 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 1.9 m -48.34 -51.73 24.86 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.003 0.82 . . . . 0.0 110.657 173.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.13 -43.39 88.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 123.153 0.581 . . . . 0.0 111.535 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -31.96 65.49 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.928 0.891 . . . . 0.0 112.891 175.053 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 98.9 m -93.93 -7.97 41.48 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.3 2.24 . . . . 0.0 112.883 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.473 0.711 0 C-N-CA 125.162 1.385 . . . . 0.0 111.49 -171.35 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 1' ' ' VAL . . . . . 0.451 HG13 ' H ' ' D' ' 2' ' ' HIS 0.313 5.3 p . . . . . 0 N--CA 1.516 2.85 0 CA-C-O 117.004 -1.474 . . . . 0.0 112.95 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 2' ' ' HIS . . . . . 0.451 ' H ' HG13 ' D' ' 1' ' ' VAL . 44.4 m80 20.25 70.68 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 128.212 2.605 . . . . 0.0 115.355 -177.347 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.41 156.79 12.25 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.198 -177.186 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.49 147.25 83.35 Favored Pre-proline 0 N--CA 1.477 0.888 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.013 162.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -50.84 -38.46 57.45 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.909 2.406 . . . . 0.0 114.837 175.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -73.72 -36.03 65.16 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.907 0.776 . . . . 0.0 111.942 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -41.22 81.27 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.542 -0.724 . . . . 0.0 111.371 171.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -54.72 -51.3 66.05 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.682 170.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 45.8 m -55.34 -43.06 74.62 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.603 1.092 . . . . 0.0 112.185 174.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.38 -48.08 81.77 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 118.938 0.79 . . . . 0.0 112.966 177.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 3.6 p -69.31 -55.34 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 CA-C-N 119.494 1.043 . . . . 0.0 112.426 174.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -68.54 -34.74 76.39 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.708 -1.245 . . . . 0.0 112.715 -169.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.54 85.66 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.564 1.075 . . . . 0.0 112.127 174.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 tt -68.09 -35.4 78.11 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.33 -0.856 . . . . 0.0 111.008 172.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -32.12 71.94 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 167.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.53 -37.37 93.22 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.189 0.9 . . . . 0.0 114.099 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -90.42 -16.9 28.17 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.68 135.39 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.763 0.825 . . . . 0.0 112.65 -167.334 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -87.07 88.12 7.62 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.759 0.824 . . . . 0.0 109.17 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 20' ' ' VAL . . . . . 0.531 HG13 HD22 ' D' ' 68' ' ' LEU . 70.5 t -52.98 -38.87 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-N 119.553 1.069 . . . . 0.0 113.828 -170.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -45.42 76.69 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 118.97 0.804 . . . . 0.0 112.85 175.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -79.26 -52.8 7.65 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.874 -0.516 . . . . 0.0 110.848 -175.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.05 -30.76 48.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.414 0 C-N-CA 123.772 0.829 . . . . 0.0 111.897 175.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.46 -45.67 17.69 Favored Glycine 0 C--N 1.341 0.854 0 CA-C-N 119.304 0.956 . . . . 0.0 111.985 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.63 -45.08 97.04 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-N 118.021 0.911 . . . . 0.0 112.52 170.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.16 -29.41 68.28 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-O 118.039 -0.982 . . . . 0.0 112.136 174.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 27' ' ' ALA . . . . . 0.51 ' HA ' HG11 ' D' ' 113' ' ' VAL . . . -68.91 -62.32 1.43 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 121.268 1.849 . . . . 0.0 111.703 172.155 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 17.4 tp -64.06 -37.37 87.19 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.661 -0.649 . . . . 0.0 110.453 -176.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.695 ' O ' HG13 ' D' ' 33' ' ' VAL . . . -48.89 -62.75 4.34 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-O 118.18 -1.344 . . . . 0.0 111.985 161.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -50.5 -26.17 4.85 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 120.359 2.08 . . . . 0.0 114.305 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 tt -77.67 -51.25 10.9 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 120.562 1.528 . . . . 0.0 111.523 168.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 32' ' ' LEU . . . . . 0.408 ' HB3' HD11 ' D' ' 48' ' ' LEU . 5.1 mp -76.46 -9.04 58.35 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 120.885 -1.135 . . . . 0.0 113.115 -176.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 33' ' ' VAL . . . . . 0.695 HG13 ' O ' ' D' ' 29' ' ' GLY . 2.9 m -74.8 -26.58 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 119.846 1.203 . . . . 0.0 114.116 172.299 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 34' ' ' VAL . . . . . 0.438 HG22 ' CD2' ' C' ' 122' ' ' HIS . 0.3 OUTLIER -76.16 1.51 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 CA-C-N 119.947 1.249 . . . . 0.0 113.845 -166.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.31 42.34 1.25 Allowed Pre-proline 0 CA--C 1.556 1.199 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -162.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -73.89 164.24 35.07 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.451 2.101 . . . . 0.0 111.747 177.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -54.31 -32.96 57.76 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.406 1.082 . . . . 0.0 113.438 168.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 16.8 p -57.68 -20.53 34.48 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 120.558 -1.339 . . . . 0.0 113.661 173.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -60.01 -16.79 33.73 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 171.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.23 -41.78 19.1 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 121.468 1.94 . . . . 0.0 112.109 169.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -74.62 3.14 8.29 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -50.59 -23.07 2.31 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -50.49 -34.04 23.55 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 171.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.09 6.07 27.06 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 176.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -123.91 23.83 8.49 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.373 1.869 . . . . 0.0 111.284 -174.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.13 -97.34 0.03 OUTLIER Glycine 0 CA--C 1.538 1.517 0 C-N-CA 125.778 1.656 . . . . 0.0 116.137 168.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.81 -94.5 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 125.643 1.577 . . . . 0.0 112.681 -174.374 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 48' ' ' LEU . . . . . 0.408 HD11 ' HB3' ' D' ' 32' ' ' LEU . 10.2 tt 58.6 -23.44 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 129.187 2.995 . . . . 0.0 117.995 174.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 59.7 p -53.8 -17.15 2.13 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.597 2.359 . . . . 0.0 115.944 -175.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 13.3 p -135.29 159.62 71.11 Favored Pre-proline 0 N--CA 1.471 0.608 0 C-N-CA 125.709 1.604 . . . . 0.0 111.659 166.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.45 -50.17 11.62 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.454 2.77 . . . . 0.0 114.535 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.24 -34.77 75.69 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.534 -0.729 . . . . 0.0 112.072 176.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.19 70.67 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 118.272 -0.87 . . . . 0.0 111.511 176.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 1.3 p -58.78 -31.65 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 CA-C-N 121.303 1.865 . . . . 0.0 114.239 -174.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 6.1 ptp -90.56 -17.94 26.09 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 177.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.79 -14.07 55.7 Favored Glycine 0 CA--C 1.54 1.649 0 C-N-CA 124.216 0.912 . . . . 0.0 114.439 170.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -65.23 120.9 71.32 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 127.014 2.126 . . . . 0.0 113.381 -173.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -63.4 -32.5 71.61 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.815 2.344 . . . . 0.0 112.764 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -70.43 -38.94 74.63 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.969 0.907 . . . . 0.0 112.301 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.82 -41.84 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.528 -0.733 . . . . 0.0 111.077 171.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -66.07 -43.88 86.1 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.479 1.036 . . . . 0.0 111.672 175.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.53 -50.37 72.96 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.799 1.181 . . . . 0.0 113.33 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -64.5 -35.86 82.33 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 120.837 -1.165 . . . . 0.0 111.707 173.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.52 -48.51 83.94 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 124.415 1.007 . . . . 0.0 112.716 173.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -58.35 -39.02 78.37 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.496 1.118 . . . . 0.0 111.977 171.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -66.8 -52.94 38.05 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.236 1.015 . . . . 0.0 113.471 175.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 4.4 m -59.94 -38.57 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 120.2 1.364 . . . . 0.0 111.633 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 68' ' ' LEU . . . . . 0.531 HD22 HG13 ' D' ' 20' ' ' VAL . 7.0 tt -69.08 -45.06 71.25 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.281 -0.887 . . . . 0.0 111.912 175.465 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.74 -41.66 75.77 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 124.884 1.231 . . . . 0.0 112.022 177.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.08 -46.18 90.21 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 171.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -55.97 -41.46 74.8 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 119.628 1.104 . . . . 0.0 112.134 170.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -63.8 -44.08 94.36 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.181 0.993 . . . . 0.0 112.138 176.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.18 -30.21 66.25 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.602 1.161 . . . . 0.0 112.027 170.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.51 -63.19 5.45 Favored Glycine 0 C--N 1.341 0.83 0 C-N-CA 124.864 1.221 . . . . 0.0 110.733 168.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.4 -32.18 62.45 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.776 1.288 . . . . 0.0 113.87 177.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.72 -28.9 68.05 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 173.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -142.82 44.95 1.59 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.43 1.492 . . . . 0.0 113.244 -169.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.68 -19.57 58.79 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.699 -1.25 . . . . 0.0 114.029 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.93 -40.54 22.31 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.648 1.979 . . . . 0.0 113.927 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -157.16 134.48 10.49 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.333 1.053 . . . . 0.0 111.204 169.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 47.5 mt -104.2 -43.43 5.24 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.472 0.709 . . . . 0.0 112.201 -173.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -57.55 -24.9 58.75 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.507 1.523 . . . . 0.0 113.954 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.79 4.0 59.19 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 126.216 1.865 . . . . 0.0 115.554 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.25 -19.85 5.42 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 119.1 1.45 . . . . 0.0 113.376 173.226 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -106.71 13.17 28.38 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.668 1.187 . . . . 0.0 113.966 174.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.34 -40.2 64.71 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.833 1.197 . . . . 0.0 113.754 -177.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 6.2 p -64.39 -42.43 96.13 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.315 1.046 . . . . 0.0 112.666 173.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 15.5 mt -70.13 -32.7 70.83 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.615 -0.678 . . . . 0.0 111.95 175.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 7.3 t -63.08 -46.49 87.18 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.999 0.92 . . . . 0.0 111.359 172.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.83 -37.78 88.15 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.112 -0.992 . . . . 0.0 112.716 171.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.71 -56.59 18.03 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.489 -1.382 . . . . 0.0 111.9 174.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -74.07 -21.8 59.78 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -174.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 38.2 t -97.58 -53.39 3.45 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 174.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -85.63 -38.72 18.09 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.669 1.577 . . . . 0.0 113.254 -171.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -85.37 -28.65 25.03 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 77.2 mt -119.42 -39.7 2.86 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -174.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 50.89 18.16 0.49 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 127.683 2.393 . . . . 0.0 116.348 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 1.2 m -52.16 140.96 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.931 1.692 . . . . 0.0 112.675 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.0 136.24 96.59 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-O 119.091 -0.481 . . . . 0.0 112.239 -175.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -48.67 -35.42 29.81 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 124.235 3.29 . . . . 0.0 116.673 -175.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -50.12 -30.54 11.35 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.286 -1.509 . . . . 0.0 113.279 173.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -62.79 -37.73 87.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.295 1.038 . . . . 0.0 111.548 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 103' ' ' PHE . . . . . 0.472 ' CD1' ' HB1' ' D' ' 138' ' ' ALA . 0.4 OUTLIER -61.55 -46.18 91.01 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.601 1.091 . . . . 0.0 110.628 172.808 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 104' ' ' ARG . . . . . 0.408 ' N ' ' CD1' ' D' ' 103' ' ' PHE . 8.3 tpm_? -64.73 -36.96 85.97 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.974 0.909 . . . . 0.0 110.101 -173.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.78 -47.54 85.85 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.09 0.956 . . . . 0.0 112.007 170.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -38.19 85.53 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.581 1.082 . . . . 0.0 111.355 176.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 107' ' ' GLY . . . . . 0.419 ' O ' HG13 ' D' ' 111' ' ' VAL . . . -64.05 -54.44 30.4 Favored Glycine 0 N--CA 1.464 0.507 0 O-C-N 121.569 -0.707 . . . . 0.0 113.227 174.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -58.11 -31.99 67.67 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 121.96 0.886 . . . . 0.0 111.557 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 6.8 t -63.67 -57.06 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 120.85 -1.156 . . . . 0.0 112.008 167.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 48.3 tp -56.43 -45.46 80.75 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.383 0.992 . . . . 0.0 111.803 -177.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 111' ' ' VAL . . . . . 0.675 HG12 ' HB3' ' D' ' 130' ' ' TYR . 2.6 m -61.59 -26.76 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 121.447 -0.783 . . . . 0.0 112.45 178.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 20.1 t -94.2 -35.08 12.65 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 -172.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 113' ' ' VAL . . . . . 0.51 HG11 ' HA ' ' D' ' 27' ' ' ALA . 0.2 OUTLIER -55.88 -38.52 52.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 CA-C-N 120.213 1.37 . . . . 0.0 110.246 167.269 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 35.7 mt -63.93 -43.45 95.85 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 118.177 0.444 . . . . 0.0 111.405 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.1 -21.93 65.39 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 170.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -60.06 2.49 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.247 0.93 . . . . 0.0 111.01 167.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -25.81 66.57 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.564 0.62 . . . . 0.0 112.537 -170.288 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -129.87 39.14 3.73 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.0 1.72 . . . . 0.0 110.32 -175.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -48.97 -40.49 27.59 Favored Glycine 0 N--CA 1.475 1.257 0 C-N-CA 125.145 1.355 . . . . 0.0 114.584 178.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -9.7 5.06 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 171.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -134.82 11.25 3.66 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.225 1.81 . . . . 0.0 113.052 -176.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.16 27.1 0.06 Allowed 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 -168.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 19.2 p -43.54 144.82 1.23 Allowed Pre-proline 0 N--CA 1.486 1.328 0 CA-C-N 120.292 1.405 . . . . 0.0 114.182 -159.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -41.91 -47.35 6.54 Favored 'Trans proline' 0 CA--C 1.547 1.125 0 C-N-CA 122.835 2.357 . . . . 0.0 115.389 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.47 -23.7 31.84 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 121.828 1.685 . . . . 0.0 115.26 173.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -47.93 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 121.194 1.816 . . . . 0.0 110.397 173.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -64.44 -43.83 93.05 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.311 -0.868 . . . . 0.0 111.435 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.57 -32.65 69.13 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.463 0.705 . . . . 0.0 112.581 174.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.56 -52.29 22.66 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.577 0.751 . . . . 0.0 110.448 176.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 130' ' ' TYR . . . . . 0.675 ' HB3' HG12 ' D' ' 111' ' ' VAL . 45.0 m-85 -53.66 -46.78 70.7 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.013 0.525 . . . . 0.0 112.043 172.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -59.97 -39.09 84.45 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 117.837 -1.077 . . . . 0.0 112.961 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.22 -40.08 90.05 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 120.376 1.444 . . . . 0.0 113.329 172.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 17.8 t -65.92 -47.29 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 CA-C-N 119.616 1.098 . . . . 0.0 111.024 174.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.64 -40.84 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.27 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.86 -44.68 86.75 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.934 1.243 . . . . 0.0 111.185 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.96 -54.54 36.66 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 121.846 -0.534 . . . . 0.0 113.007 171.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.76 -44.35 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 118.384 1.092 . . . . 0.0 110.361 -177.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 138' ' ' ALA . . . . . 0.472 ' HB1' ' CD1' ' D' ' 103' ' ' PHE . . . -64.92 -42.0 95.07 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.728 1.211 . . . . 0.0 113.222 176.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -64.44 -19.48 65.57 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.367 0.985 . . . . 0.0 112.403 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.98 -42.28 24.23 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.058 -1.026 . . . . 0.0 111.905 165.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.32 -27.75 69.26 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 120.497 -1.377 . . . . 0.0 112.836 174.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -75.06 -15.55 60.62 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.415 1.886 . . . . 0.0 114.072 172.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -52.76 -44.74 66.7 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 120.794 1.634 . . . . 0.0 114.175 -173.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -69.14 -14.87 63.24 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 174.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -102.3 -19.52 14.99 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 126.701 2.0 . . . . 0.0 113.2 178.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . 0.28 0.2 OUTLIER . . . . . 0 C--O 1.254 1.33 0 C-N-CA 128.718 2.807 . . . . 0.0 115.028 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.509 2.495 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.5 mt -137.5 -176.86 4.55 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 119.946 -1.722 . . . . 0.0 111.126 -169.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.95 167.83 16.44 Favored Pre-proline 0 N--CA 1.487 1.375 0 C-N-CA 124.691 1.196 . . . . 0.0 112.718 -176.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.53 -50.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.272 1.981 . . . . 0.0 114.525 -169.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.25 -35.14 73.6 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -169.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -63.5 -37.71 88.33 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.127 -0.983 . . . . 0.0 112.341 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -59.17 -42.44 90.81 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.718 1.145 . . . . 0.0 111.945 173.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.8 m -59.39 -40.66 87.3 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.045 0.538 . . . . 0.0 111.12 174.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -67.96 -36.91 80.87 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.758 -0.588 . . . . 0.0 112.206 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.7 t -61.08 -48.07 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 119.435 1.016 . . . . 0.0 111.244 169.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.14 -44.29 97.56 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.669 0.668 . . . . 0.0 111.812 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.42 -52.96 63.41 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.427 0.691 . . . . 0.0 111.448 174.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.79 -53.82 52.04 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.14 0.976 . . . . 0.0 112.546 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.2 t-105 -63.39 -30.04 71.24 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.327 -0.858 . . . . 0.0 112.919 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.73 -36.68 90.62 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.456 1.027 . . . . 0.0 113.221 169.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -73.95 -36.81 64.66 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 118.456 1.128 . . . . 0.0 111.468 172.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.34 -54.4 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.777 0.831 . . . . 0.0 111.268 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.13 -128.06 4.41 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.336 0.97 . . . . 0.0 113.863 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.07 -22.44 50.37 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -72.31 -7.0 47.17 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.79 -44.2 63.35 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.789 -1.194 . . . . 0.0 112.772 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.04 -46.07 94.8 Favored Glycine 0 N--CA 1.469 0.895 0 C-N-CA 123.812 0.72 . . . . 0.0 113.829 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -67.86 -36.93 81.16 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.491 1.145 . . . . 0.0 112.05 177.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -66.86 -37.59 84.74 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.071 -1.018 . . . . 0.0 112.585 173.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.67 -44.01 90.62 Favored Glycine 0 CA--C 1.532 1.139 0 O-C-N 121.098 -1.001 . . . . 0.0 112.286 173.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.72 -50.67 71.5 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.161 0.984 . . . . 0.0 110.971 174.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -65.26 -24.77 67.41 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.092 0.957 . . . . 0.0 113.331 177.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.36 -38.6 49.81 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.499 1.045 . . . . 0.0 111.821 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.4 mt -60.93 -44.05 97.79 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.505 0.722 . . . . 0.0 110.727 169.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -61.09 -49.56 76.82 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.351 0.66 . . . . 0.0 112.203 173.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -60.46 -36.88 79.29 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.654 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.8 ttp -55.38 -52.23 64.23 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.947 1.249 . . . . 0.0 111.349 169.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -55.97 27.87 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.02 0.373 . . . . 0.0 111.648 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.11 -29.68 69.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.625 0.648 . . . . 0.0 112.025 -173.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.68 ' HA ' ' HB2' ' B' ' 128' ' ' ALA . 8.2 t -72.31 -24.11 61.27 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 177.356 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -150.86 67.35 7.8 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 123.799 0.84 . . . . 0.0 110.247 -172.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -51.28 -27.8 24.44 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 123.808 3.005 . . . . 0.0 115.329 -171.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.43 -33.8 14.97 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.758 1.623 . . . . 0.0 114.39 172.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.5 p -70.9 -17.99 62.69 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 120.901 1.682 . . . . 0.0 114.295 175.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -57.73 -31.05 66.05 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 120.771 1.623 . . . . 0.0 112.958 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 t -73.21 -18.22 61.27 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.763 1.024 . . . . 0.0 113.763 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -32.76 74.36 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 120.695 -1.253 . . . . 0.0 112.208 177.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -147.97 78.01 9.86 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 125.656 1.582 . . . . 0.0 111.443 175.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -77.68 -0.9 11.08 Favored 'Trans proline' 0 CA--C 1.548 1.195 0 C-N-CA 123.653 2.902 . . . . 0.0 114.383 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.03 0.17 0.43 Allowed 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 -176.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.93 147.61 42.51 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.248 1.419 . . . . 0.0 112.824 -176.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -76.93 152.06 35.47 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.485 0.714 . . . . 0.0 110.401 167.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -154.45 13.87 0.43 Allowed 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 -174.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -86.63 56.41 3.99 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.119 1.368 . . . . 0.0 112.921 -173.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 68.97 118.18 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 127.566 2.346 . . . . 0.0 113.623 -177.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.33 14.08 74.99 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 121.242 -0.911 . . . . 0.0 115.064 174.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 t -58.49 133.61 55.95 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.338 1.055 . . . . 0.0 112.921 178.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.66 -27.67 68.85 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 173.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -80.64 -40.25 25.94 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.615 -0.678 . . . . 0.0 111.688 175.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.3 t -66.22 -34.01 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 121.463 -0.773 . . . . 0.0 111.794 175.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -59.87 -38.19 81.46 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 120.004 1.275 . . . . 0.0 112.718 174.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.77 -53.19 6.57 Favored Glycine 0 N--CA 1.47 0.922 0 C-N-CA 124.351 0.976 . . . . 0.0 111.854 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.36 -33.8 68.15 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.761 -0.847 . . . . 0.0 112.117 175.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -61.73 -50.66 63.81 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 125.034 1.302 . . . . 0.0 113.801 170.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -56.77 -36.13 69.46 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 118.958 1.379 . . . . 0.0 113.232 170.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -66.28 -51.76 54.26 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.005 0.82 . . . . 0.0 112.889 173.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 77.8 t -56.78 -43.35 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 CA-C-N 119.42 1.009 . . . . 0.0 111.093 173.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.57 80.78 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.133 0.973 . . . . 0.0 113.237 174.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.98 -38.82 87.34 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.96 0.8 . . . . 0.0 112.228 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.49 94.21 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 170.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.18 -44.89 88.23 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 118.818 -0.61 . . . . 0.0 111.581 172.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.9 m -57.28 -49.27 76.59 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.702 1.137 . . . . 0.0 111.9 172.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -21.93 65.52 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 120.089 1.313 . . . . 0.0 113.03 177.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.23 -51.9 18.87 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 119.472 1.033 . . . . 0.0 110.418 167.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.1 t -54.55 -46.94 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.821 1.191 . . . . 0.0 111.543 177.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.38 -21.43 50.2 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.024 1.329 . . . . 0.0 113.961 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -143.24 35.67 1.35 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.564 1.146 . . . . 0.0 111.214 -176.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.05 -23.77 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 119.602 -1.936 . . . . 0.0 116.001 -162.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -119.1 27.48 8.82 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.61 1.164 . . . . 0.0 112.402 170.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -153.68 29.02 0.48 Allowed 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 129.339 3.055 . . . . 0.0 111.661 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.9 ptt? -101.22 18.07 0.05 OUTLIER Pre-proline 0 N--CA 1.482 1.132 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 -176.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -64.86 -41.59 17.48 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 CA-C-N 123.459 2.271 . . . . 0.0 113.743 -161.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -84.82 -19.37 32.6 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.127 0.971 . . . . 0.0 112.909 171.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.43 -10.0 52.31 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -173.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.0 mt -107.39 5.26 27.19 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 120.958 -1.088 . . . . 0.0 112.984 168.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.6 m -59.37 -35.05 73.18 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.572 -1.33 . . . . 0.0 113.344 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.23 -16.22 42.84 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 172.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mt -97.29 -38.6 9.6 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.336 1.454 . . . . 0.0 110.68 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.5 t -52.21 -42.57 63.66 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.571 1.148 . . . . 0.0 111.418 161.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.64 -53.83 41.62 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.673 1.189 . . . . 0.0 111.949 170.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -54.52 -53.31 56.14 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.319 0.963 . . . . 0.0 110.983 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -52.89 -43.52 66.23 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.84 1.256 . . . . 0.0 113.607 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.8 -31.91 14.18 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -174.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -84.57 -45.47 12.53 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.169 0.988 . . . . 0.0 112.837 -175.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -147.66 52.34 1.05 Allowed 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -178.407 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.37 -62.08 0.84 Allowed 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.391 -0.818 . . . . 0.0 111.158 169.306 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 57.32 18.27 4.23 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 124.661 1.184 . . . . 0.0 113.623 -175.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.3 t -83.14 143.04 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 126.582 1.953 . . . . 0.0 111.655 -173.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -58.78 143.3 82.89 Favored Pre-proline 0 CA--C 1.55 0.978 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 172.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -50.73 -16.99 2.7 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 124.311 3.341 . . . . 0.0 116.574 173.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.8 p -47.92 -41.01 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 119.735 1.152 . . . . 0.0 112.995 171.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -65.36 -34.08 77.48 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.429 -0.796 . . . . 0.0 112.565 175.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -59.34 -51.81 68.32 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 119.625 1.102 . . . . 0.0 109.104 170.056 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -55.83 -51.71 66.54 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.333 0.587 . . . . 0.0 109.899 -175.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.3 mt -58.85 -50.1 75.25 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 124.006 0.922 . . . . 0.0 112.2 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.53 -41.46 93.07 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.83 1.195 . . . . 0.0 112.61 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.9 m -66.0 -46.05 79.36 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.167 1.349 . . . . 0.0 112.886 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -61.21 -43.81 98.28 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.505 1.048 . . . . 0.0 111.233 173.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 91.1 m -67.25 -34.12 76.78 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.196 -0.94 . . . . 0.0 113.489 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.4 mt -64.55 -47.12 79.93 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.042 1.292 . . . . 0.0 111.174 170.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.7 mt -53.91 -42.59 68.91 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 121.69 -0.631 . . . . 0.0 111.381 171.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 37.1 t -69.35 -38.12 76.81 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 117.749 -1.119 . . . . 0.0 113.593 177.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.6 p -73.05 -39.37 65.99 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 121.839 2.108 . . . . 0.0 112.477 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.73 -59.32 5.19 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 167.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -47.65 -47.21 29.39 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.8 -20.02 59.95 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 -174.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -131.17 -16.36 3.17 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -172.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.1 75.63 53.44 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 129.891 3.277 . . . . 0.0 106.995 170.156 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -44.62 146.03 2.4 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.879 3.053 . . . . 0.0 114.413 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.41 16.91 0.05 Allowed 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 176.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 52.01 19.02 0.92 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.931 2.092 . . . . 0.0 114.208 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.6 p90 44.2 8.41 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 128.997 2.919 . . . . 0.0 117.207 -166.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.0 144.03 81.7 Favored Pre-proline 0 N--CA 1.478 0.93 0 O-C-N 120.513 -1.367 . . . . 0.0 111.547 -176.357 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -64.34 -33.34 59.19 Favored 'Trans proline' 0 CA--C 1.536 0.59 0 C-N-CA 122.519 2.146 . . . . 0.0 112.422 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.0 -39.45 72.4 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.519 -0.738 . . . . 0.0 112.423 176.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.5 t -71.63 -38.65 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-N 119.879 1.218 . . . . 0.0 111.293 174.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -61.84 -34.39 75.88 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.248 -0.908 . . . . 0.0 113.235 172.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.27 -57.14 9.19 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.495 0.589 . . . . 0.0 110.151 165.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.4 p -58.62 -55.45 34.9 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 117.687 -1.149 . . . . 0.0 113.445 -165.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.34 -43.69 97.01 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 120.11 1.323 . . . . 0.0 112.203 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.18 -51.34 31.89 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.163 0.585 . . . . 0.0 111.387 -175.103 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -35.84 74.63 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.063 0.545 . . . . 0.0 111.321 169.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -67.61 -44.82 77.15 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 119.701 1.137 . . . . 0.0 111.129 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.86 -28.97 68.77 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 120.465 1.484 . . . . 0.0 111.595 173.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.26 97.13 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 118.131 -0.938 . . . . 0.0 113.243 166.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 94.1 p -76.55 -35.49 58.21 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 121.535 1.971 . . . . 0.0 113.795 176.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 95.8 t -54.66 -53.59 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 119.495 1.043 . . . . 0.0 108.963 165.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.0 t -52.39 -60.34 3.34 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.907 173.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 28.4 m -51.4 -47.71 62.85 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 117.893 -1.051 . . . . 0.0 112.554 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 81.5 t -70.93 -38.48 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-N 120.417 1.462 . . . . 0.0 111.972 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.84 -41.74 78.45 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 120.27 1.395 . . . . 0.0 110.312 168.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 69.9 p -92.06 31.16 1.3 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.058 1.743 . . . . 0.0 113.596 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 CA--C 1.545 0.784 0 O-C-N 120.443 -1.41 . . . . 0.0 111.285 175.819 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.315 7.4 p . . . . . 0 N--CA 1.511 2.604 0 CA-C-O 117.58 -1.2 . . . . 0.0 112.979 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 5.2 t60 35.18 74.03 0.07 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.075 2.15 . . . . 0.0 115.58 178.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 68.3 mt -54.43 122.54 10.69 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.318 -0.864 . . . . 0.0 111.37 176.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 63.6 m -52.55 132.47 45.24 Favored Pre-proline 0 N--CA 1.478 0.968 0 CA-C-O 117.291 -1.338 . . . . 0.0 109.523 168.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -48.72 -41.62 37.88 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.445 2.764 . . . . 0.0 116.602 -171.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.41 -36.81 79.63 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.297 -0.877 . . . . 0.0 112.382 176.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.11 -39.54 75.42 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.434 -0.791 . . . . 0.0 111.926 172.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.13 -47.21 78.59 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 117.526 -1.225 . . . . 0.0 110.386 167.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.0 t -56.8 -47.04 81.13 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.897 1.226 . . . . 0.0 111.611 175.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.87 -57.28 11.52 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.499 1.12 . . . . 0.0 113.826 177.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.527 HG23 ' CE1' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -70.96 -49.83 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 119.107 0.867 . . . . 0.0 111.555 176.864 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -66.42 -35.53 80.54 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.807 1.185 . . . . 0.0 112.154 -167.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.84 -38.01 87.75 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.463 1.029 . . . . 0.0 112.459 172.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 tt -70.46 -35.05 73.1 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.364 -0.835 . . . . 0.0 111.377 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -36.57 75.36 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.44 1.096 . . . . 0.0 112.9 166.16 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.46 -41.45 98.63 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.799 1.19 . . . . 0.0 113.957 175.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -87.3 -16.91 33.74 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.13 131.21 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.939 1.296 . . . . 0.0 111.814 -178.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -88.33 77.71 8.13 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.596 1.158 . . . . 0.0 109.861 -177.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 62.0 t -49.84 -38.89 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 124.731 1.212 . . . . 0.0 113.731 -169.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -13.57 62.37 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.894 1.278 . . . . 0.0 114.045 -178.393 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -124.87 -50.03 1.72 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.916 1.286 . . . . 0.0 111.198 -176.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.85 -29.56 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.107 -0.996 . . . . 0.0 112.846 173.229 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.65 -40.01 11.42 Favored Glycine 0 N--CA 1.47 0.958 0 O-C-N 121.344 -0.848 . . . . 0.0 112.715 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.96 -43.06 99.87 Favored Glycine 0 N--CA 1.476 1.321 0 CA-C-N 118.131 0.966 . . . . 0.0 112.02 169.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -56.57 -56.54 20.0 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 124.42 1.088 . . . . 0.0 111.13 166.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.51 94.55 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 121.351 1.887 . . . . 0.0 114.344 -175.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 tp -69.51 -49.74 51.78 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.096 0.862 . . . . 0.0 111.745 176.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.63 -39.62 96.79 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-N 118.263 0.483 . . . . 0.0 112.232 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -54.52 -45.73 73.41 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 117.133 -1.413 . . . . 0.0 112.01 172.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.26 -49.06 17.8 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.918 1.236 . . . . 0.0 112.12 -177.26 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.498 HD22 ' H ' ' B' ' 32' ' ' LEU . 2.3 mm? -62.53 -44.39 96.47 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.983 0.913 . . . . 0.0 112.706 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -78.14 -27.87 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 O-C-N 121.408 -0.808 . . . . 0.0 112.576 -177.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 19.2 t -67.77 -46.44 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 126.663 1.985 . . . . 0.0 111.049 175.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -133.74 83.75 46.64 Favored Pre-proline 0 CA--C 1.541 0.611 0 C-N-CA 124.61 1.164 . . . . 0.0 110.483 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -50.18 -18.65 3.51 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 124.613 3.542 . . . . 0.0 117.091 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 -60.26 -33.73 72.72 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.129 1.331 . . . . 0.0 112.945 170.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 73.9 p -62.96 -20.84 65.63 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 15.6 tm0? -53.42 -30.75 41.95 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.976 0.91 . . . . 0.0 113.136 167.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -60.02 -15.71 24.91 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 120.84 1.654 . . . . 0.0 114.339 175.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -108.82 1.61 21.05 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.989 1.716 . . . . 0.0 113.344 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -53.33 59.47 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.156 1.344 . . . . 0.0 112.513 -173.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 26.13 5.15 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.392 1 C-N-CA 134.585 5.154 . . . . 0.0 120.677 -176.442 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -162.48 -28.43 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.928 2.091 . . . . 0.0 113.007 -169.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -52.36 -32.55 38.88 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 176.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.56 159.51 17.32 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.859 1.218 . . . . 0.0 114.891 175.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 49.5 t0 42.5 -98.53 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 127.028 2.131 . . . . 0.0 114.078 -173.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 47.59 9.93 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 118.972 2.953 . . . . 0.0 118.972 176.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -57.71 -22.18 44.85 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -172.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 69.3 p -134.54 162.45 57.66 Favored Pre-proline 0 N--CA 1.471 0.586 0 C-N-CA 126.205 1.802 . . . . 0.0 110.573 171.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -50.06 -40.72 50.25 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.104 2.536 . . . . 0.0 114.263 167.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -62.75 -44.51 96.01 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.482 0.713 . . . . 0.0 111.795 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.86 -45.02 94.52 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.616 0.766 . . . . 0.0 112.796 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -66.21 -37.65 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 O-C-N 120.988 -1.07 . . . . 0.0 112.781 -177.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 3.0 ttm -79.64 -12.93 59.81 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.69 -21.86 10.04 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.074 1.321 . . . . 0.0 115.11 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -55.16 117.15 13.4 Favored Pre-proline 0 CA--C 1.554 1.13 0 CA-C-N 119.221 1.51 . . . . 0.0 111.893 177.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -51.35 -40.28 62.08 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 124.072 3.181 . . . . 0.0 115.159 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -26.16 61.53 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.038 -1.038 . . . . 0.0 112.514 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 97.7 t -69.13 -33.4 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 119.488 1.04 . . . . 0.0 111.456 169.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -64.71 -44.81 89.04 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.457 1.481 . . . . 0.0 111.746 168.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.08 -49.42 77.72 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 118.776 0.717 . . . . 0.0 112.804 174.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -67.12 -28.29 68.03 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.691 -1.255 . . . . 0.0 112.195 174.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.73 -49.07 82.52 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 125.815 1.674 . . . . 0.0 113.094 168.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -58.55 -40.19 82.32 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.992 -0.711 . . . . 0.0 111.564 168.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -63.77 -51.82 63.11 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.326 1.05 . . . . 0.0 112.639 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 13.1 p -62.51 -46.62 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 119.273 0.942 . . . . 0.0 112.317 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 tt -69.39 -37.38 77.49 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.508 -0.745 . . . . 0.0 110.866 177.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.8 -43.92 48.24 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 125.262 1.41 . . . . 0.0 112.718 170.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.67 80.41 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 118.733 1.266 . . . . 0.0 112.428 172.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -59.01 -37.02 75.93 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.285 -1.51 . . . . 0.0 113.279 172.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.3 t -67.86 -43.92 78.31 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.978 1.311 . . . . 0.0 112.884 175.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -56.59 -37.42 70.61 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.998 0.919 . . . . 0.0 111.225 168.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.16 -57.61 18.29 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 123.429 0.538 . . . . 0.0 112.294 170.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.7 mt -57.94 -24.26 57.16 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 176.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.47 -19.73 27.58 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.573 1.549 . . . . 0.0 114.824 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -141.19 41.04 1.78 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.688 1.595 . . . . 0.0 112.764 -172.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 95.8 mt -55.8 -19.19 10.49 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 120.634 -1.291 . . . . 0.0 114.222 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -52.69 -42.06 64.45 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.816 1.646 . . . . 0.0 113.186 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -153.73 113.49 3.85 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.691 1.596 . . . . 0.0 110.212 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 88.5 mt -94.32 2.43 55.84 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.253 1.021 . . . . 0.0 113.453 176.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -87.21 -53.24 4.95 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.525 -1.359 . . . . 0.0 112.443 -174.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.18 -36.77 71.71 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.605 0.622 . . . . 0.0 113.467 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.8 p -69.31 -12.64 61.83 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.231 1.813 . . . . 0.0 114.486 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -130.03 9.65 5.33 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.191 1.396 . . . . 0.0 112.912 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.37 -34.51 70.77 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 -170.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 21.9 p -65.81 -39.31 90.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.996 0.918 . . . . 0.0 112.018 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 53.0 mt -73.65 -40.77 63.49 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.755 1.222 . . . . 0.0 111.638 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 98.6 p -64.43 -41.52 96.54 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.781 1.173 . . . . 0.0 111.445 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.2 -48.57 79.94 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.382 0.673 . . . . 0.0 112.67 170.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.6 tp -51.27 -55.16 19.69 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.645 0.778 . . . . 0.0 111.828 173.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -74.72 -31.04 61.73 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.096 -1.003 . . . . 0.0 113.329 -173.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 85.2 m -78.66 -39.03 38.05 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.6 1.091 . . . . 0.0 113.799 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -107.65 -24.49 11.72 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -169.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -24.86 19.76 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 174.468 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 32.0 mt -128.23 -44.81 1.4 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.515 1.126 . . . . 0.0 113.585 -172.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 15.2 t60 55.97 22.32 5.69 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 127.659 2.383 . . . . 0.0 116.39 -176.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 23.9 m -61.13 154.23 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 120.733 -1.229 . . . . 0.0 112.595 173.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.03 157.58 86.8 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 127.9 2.48 . . . . 0.0 113.08 -176.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.02 -41.24 40.62 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 124.646 3.564 . . . . 0.0 115.204 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -61.07 -30.11 70.14 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.923 -1.11 . . . . 0.0 113.13 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -62.7 -41.02 98.91 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.13 0.877 . . . . 0.0 111.388 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -65.49 -46.78 78.38 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.557 0.743 . . . . 0.0 110.325 174.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -55.45 -43.8 75.75 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.076 0.55 . . . . 0.0 110.961 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 34.9 mt -58.37 -45.08 88.92 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.015 1.326 . . . . 0.0 113.431 175.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 tt -58.88 -46.58 87.51 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.593 1.088 . . . . 0.0 110.534 173.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.12 -38.44 95.58 Favored Glycine 0 CA--C 1.534 1.277 0 O-C-N 121.107 -0.996 . . . . 0.0 113.929 174.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -63.44 -39.93 95.79 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.652 1.226 . . . . 0.0 111.803 174.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.54 -54.21 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.447 -0.783 . . . . 0.0 110.708 167.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 45.9 tp -50.98 -53.57 32.05 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.375 1.07 . . . . 0.0 111.944 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 24.7 m -60.03 -35.73 62.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 118.928 0.785 . . . . 0.0 112.564 177.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 24.3 t -64.3 -38.27 90.45 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.784 0.72 . . . . 0.0 111.719 178.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 1.9 m -67.93 -43.69 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.05 -1.031 . . . . 0.0 111.46 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -38.43 84.44 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.585 -0.697 . . . . 0.0 111.595 172.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.66 -21.44 62.8 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.146 0.884 . . . . 0.0 112.895 172.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -63.11 1.46 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.493 0.717 . . . . 0.0 111.559 166.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -66.4 -27.43 67.84 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 119.568 1.077 . . . . 0.0 113.753 -170.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -114.58 28.13 8.95 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.185 1.794 . . . . 0.0 111.072 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.87 -36.92 51.65 Favored Glycine 0 N--CA 1.472 1.085 0 C-N-CA 124.763 1.173 . . . . 0.0 115.396 -175.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -65.39 -7.18 12.6 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.531 1.533 . . . . 0.0 114.66 173.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -126.27 22.73 7.12 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.173 1.789 . . . . 0.0 111.949 -168.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -59.65 80.62 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 127.299 2.24 . . . . 0.0 113.922 175.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.92 148.59 87.67 Favored Pre-proline 0 N--CA 1.482 1.133 0 O-C-N 120.231 -1.543 . . . . 0.0 111.588 176.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 124' ' ' PRO . . . . . 0.448 ' CB ' ' HD3' ' B' ' 125' ' ' PRO 0.364 12.5 Cg_exo -33.37 -93.54 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 2.011 1 C-N-CA 126.865 5.043 . . . . 0.0 118.199 -173.191 . . . . . . . . 4 3 . 1 . 018 nuclear build core ' B' B ' 125' ' ' PRO . . . . . 0.448 ' HD3' ' CB ' ' B' ' 124' ' ' PRO . 70.6 Cg_exo -70.13 17.82 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 CA-C-N 124.576 2.67 . . . . 0.0 118.585 169.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 2.4 p -53.91 -42.96 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-N 123.261 2.755 . . . . 0.0 113.871 -167.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -64.16 -41.36 97.17 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.245 -0.909 . . . . 0.0 111.802 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 128' ' ' ALA . . . . . 0.68 ' HB2' ' HA ' ' A' ' 35' ' ' SER . . . -60.74 -46.14 91.58 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.437 1.095 . . . . 0.0 111.789 174.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.67 95.95 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.288 1.035 . . . . 0.0 111.088 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.527 ' CE1' HG23 ' B' ' 11' ' ' VAL . 37.6 m-85 -59.77 -52.29 66.12 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 118.591 -0.718 . . . . 0.0 112.415 168.144 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -38.04 64.83 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.839 1.2 . . . . 0.0 112.505 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -61.69 -51.86 66.67 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.796 1.239 . . . . 0.0 113.378 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.4 -36.29 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 CA-C-N 120.041 1.291 . . . . 0.0 113.018 175.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 26.1 t -59.13 -45.6 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.949 1.299 . . . . 0.0 111.394 173.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.11 94.5 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.124 0.875 . . . . 0.0 111.774 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.65 -50.52 64.64 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 121.851 -0.531 . . . . 0.0 112.827 170.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 33.1 t -61.04 -44.59 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 117.98 0.89 . . . . 0.0 112.277 175.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -57.7 -49.73 75.54 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.32 0.964 . . . . 0.0 111.969 175.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.4 -36.88 85.18 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.167 0.587 . . . . 0.0 112.184 176.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.65 95.96 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.416 -0.802 . . . . 0.0 112.63 172.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 8.6 mt -68.25 -31.95 71.8 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 120.599 -1.313 . . . . 0.0 112.202 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.46 -6.65 41.95 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 169.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -56.31 -41.49 76.05 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.149 -1.595 . . . . 0.0 113.188 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -70.31 5.7 1.63 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.316 1.446 . . . . 0.0 114.838 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 . . . . . 0 CA--C 1.551 1.007 0 CA-C-N 120.387 1.449 . . . . 0.0 113.628 167.995 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.51 2.551 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 45.2 mt -137.53 -176.93 4.57 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 119.967 -1.708 . . . . 0.0 111.212 -169.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.91 167.93 16.11 Favored Pre-proline 0 N--CA 1.487 1.384 0 C-N-CA 124.689 1.196 . . . . 0.0 112.837 -176.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.61 -50.12 0.09 OUTLIER 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.317 2.011 . . . . 0.0 114.429 -169.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.34 -34.88 73.19 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -169.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -63.64 -37.38 87.11 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.085 -1.01 . . . . 0.0 112.379 177.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -59.55 -42.38 92.27 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.688 1.131 . . . . 0.0 111.827 173.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 38.7 m -59.48 -41.01 88.82 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.189 0.596 . . . . 0.0 110.939 174.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -67.48 -37.04 82.28 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.724 -0.61 . . . . 0.0 112.253 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 69.9 t -61.16 -48.06 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.481 1.037 . . . . 0.0 111.227 170.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -60.99 -44.33 97.56 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.763 0.711 . . . . 0.0 111.898 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.39 -53.0 63.23 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.426 0.69 . . . . 0.0 111.429 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.72 -53.88 51.16 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.056 0.942 . . . . 0.0 112.589 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -63.3 -29.99 71.21 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.21 -0.931 . . . . 0.0 112.956 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.92 -36.51 90.39 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.408 1.004 . . . . 0.0 113.215 169.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -73.96 -36.73 64.63 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 118.411 1.105 . . . . 0.0 111.528 172.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 90.6 t -59.39 -54.4 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.826 0.85 . . . . 0.0 111.205 176.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.05 -128.1 4.34 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.326 0.965 . . . . 0.0 113.883 -177.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.01 -22.48 49.84 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -72.37 -6.79 45.88 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.01 -44.03 63.96 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 120.854 -1.154 . . . . 0.0 112.792 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.15 -45.93 95.03 Favored Glycine 0 C--N 1.341 0.854 0 CA-C-O 119.297 -0.724 . . . . 0.0 113.881 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -67.88 -36.96 81.16 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.57 1.185 . . . . 0.0 112.053 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -66.8 -37.8 85.24 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 121.135 -0.978 . . . . 0.0 112.507 173.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.46 -43.97 91.27 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 121.186 -0.946 . . . . 0.0 112.368 173.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.86 -50.55 72.11 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.105 0.962 . . . . 0.0 111.072 174.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -65.25 -24.74 67.41 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 124.116 0.966 . . . . 0.0 113.443 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.45 -38.41 49.46 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.555 1.07 . . . . 0.0 111.884 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.09 -44.03 97.98 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.523 0.729 . . . . 0.0 110.658 169.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -61.06 -49.48 77.18 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.307 0.643 . . . . 0.0 112.278 173.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -60.52 -36.93 79.57 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 117.902 -1.047 . . . . 0.0 112.583 175.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 26.8 ttp -55.44 -52.14 64.58 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.977 1.262 . . . . 0.0 111.396 169.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -55.87 29.1 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 117.956 0.344 . . . . 0.0 111.644 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.06 -29.67 69.52 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.583 0.628 . . . . 0.0 112.158 -173.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 35' ' ' SER . . . . . 0.681 ' HA ' ' HB2' ' D' ' 128' ' ' ALA . 8.2 t -72.24 -24.22 61.34 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 177.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -150.81 67.51 7.88 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 123.762 0.825 . . . . 0.0 110.198 -172.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -51.53 -27.65 25.84 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.835 3.023 . . . . 0.0 115.242 -171.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.18 -33.85 13.24 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.889 1.676 . . . . 0.0 114.417 172.438 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 35.9 p -71.14 -18.07 62.52 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 120.856 1.662 . . . . 0.0 114.039 175.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -57.61 -31.21 66.0 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 120.93 1.696 . . . . 0.0 112.952 -178.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 1.7 t -73.22 -18.03 61.28 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -32.64 74.13 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.772 -1.205 . . . . 0.0 112.195 177.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -148.07 78.16 9.72 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.665 1.586 . . . . 0.0 111.446 174.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -77.65 -0.86 11.04 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 C-N-CA 123.739 2.959 . . . . 0.0 114.372 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.17 0.28 0.44 Allowed 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 -176.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.99 147.7 42.51 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.3 1.44 . . . . 0.0 112.826 -176.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -77.17 152.15 34.96 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.461 0.704 . . . . 0.0 110.407 167.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -154.57 14.04 0.42 Allowed 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 115.254 1.576 . . . . 0.0 115.254 -174.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -86.8 56.41 3.99 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.156 1.383 . . . . 0.0 112.875 -173.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 69.13 118.15 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.567 2.347 . . . . 0.0 113.761 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.24 14.34 74.61 Favored Glycine 0 CA--C 1.536 1.389 0 O-C-N 121.135 -0.978 . . . . 0.0 115.088 174.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -58.51 133.89 56.22 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.444 1.097 . . . . 0.0 112.86 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.14 -26.68 68.45 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.038 0.935 . . . . 0.0 113.378 173.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -81.69 -40.33 22.97 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.737 -0.602 . . . . 0.0 111.741 175.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -66.14 -33.84 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 121.286 -0.884 . . . . 0.0 111.882 175.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -60.27 -37.77 81.48 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 120.041 1.292 . . . . 0.0 112.69 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.88 -53.15 6.49 Favored Glycine 0 N--CA 1.471 1.03 0 C-N-CA 124.395 0.997 . . . . 0.0 111.85 177.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.41 -33.95 68.4 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.801 -0.823 . . . . 0.0 111.973 175.245 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -61.6 -50.66 63.99 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 124.973 1.273 . . . . 0.0 113.806 170.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -56.79 -36.21 69.62 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 118.988 1.394 . . . . 0.0 113.166 170.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -66.12 -51.74 55.08 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.087 0.858 . . . . 0.0 112.943 173.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 76.5 t -57.01 -43.17 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 119.475 1.034 . . . . 0.0 111.091 174.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.82 -48.46 81.24 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.015 0.926 . . . . 0.0 113.261 174.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.07 -38.78 87.46 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.924 0.784 . . . . 0.0 112.217 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.26 -45.56 94.02 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 170.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.27 -44.6 88.5 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.628 172.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 96.2 m -57.55 -49.18 77.19 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.736 1.153 . . . . 0.0 111.822 172.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -22.23 65.65 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 120.143 1.338 . . . . 0.0 113.018 177.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.19 -51.63 20.26 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 119.495 1.043 . . . . 0.0 110.394 167.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 69.9 t -54.59 -47.16 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 119.963 1.256 . . . . 0.0 111.465 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.29 -21.49 49.14 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.092 1.357 . . . . 0.0 113.899 -178.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -143.2 35.58 1.35 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.58 1.152 . . . . 0.0 111.313 -176.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.16 -23.69 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 119.555 -1.966 . . . . 0.0 115.927 -162.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -119.1 27.36 8.89 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.642 1.177 . . . . 0.0 112.469 170.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -153.71 29.15 0.47 Allowed 'General case' 0 CA--C 1.559 1.307 0 C-N-CA 129.186 2.994 . . . . 0.0 111.531 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 15.1 ptt? -101.2 18.08 0.05 OUTLIER Pre-proline 0 N--CA 1.481 1.085 0 N-CA-C 116.261 1.949 . . . . 0.0 116.261 -176.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -64.9 -41.75 16.75 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 CA-C-N 123.475 2.277 . . . . 0.0 113.651 -161.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -84.6 -19.54 32.87 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.053 0.941 . . . . 0.0 113.005 171.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.19 -10.15 52.21 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -173.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 52.2 mt -107.31 5.44 27.52 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.695 1.134 . . . . 0.0 113.102 168.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 58.7 m -59.52 -35.09 73.49 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.649 -1.282 . . . . 0.0 113.357 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.16 -16.31 43.26 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 172.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mt -97.04 -38.75 9.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.483 1.513 . . . . 0.0 110.725 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 14.9 t -52.08 -42.71 63.42 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.693 1.197 . . . . 0.0 111.418 161.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.67 -53.82 42.05 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.711 1.204 . . . . 0.0 111.927 170.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -54.58 -53.07 59.43 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.367 0.985 . . . . 0.0 111.017 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -53.05 -43.63 66.78 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.793 1.237 . . . . 0.0 113.58 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.79 -31.83 14.22 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -173.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -84.48 -45.59 12.5 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.092 0.957 . . . . 0.0 112.819 -176.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER -147.52 51.81 1.06 Allowed 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -178.256 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.93 -62.23 0.86 Allowed 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.496 -0.753 . . . . 0.0 111.193 169.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 57.24 18.47 4.27 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.64 1.176 . . . . 0.0 113.549 -175.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 58.2 t -83.2 143.06 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 126.516 1.926 . . . . 0.0 111.637 -173.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -58.79 143.32 82.91 Favored Pre-proline 0 CA--C 1.551 1.003 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 172.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -50.77 -17.01 2.74 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 124.291 3.327 . . . . 0.0 116.536 173.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.04 -40.72 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 119.783 1.174 . . . . 0.0 112.994 171.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -65.51 -34.08 77.42 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.444 -0.788 . . . . 0.0 112.507 175.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 98' ' ' PHE . . . . . 0.438 ' C ' ' CD1' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -59.57 -51.48 69.66 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.598 1.09 . . . . 0.0 109.029 170.212 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -56.16 -51.67 67.14 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.274 0.559 . . . . 0.0 109.866 -175.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 63.8 mt -58.72 -50.17 74.88 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.932 0.893 . . . . 0.0 112.24 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.46 -41.53 93.27 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.829 1.195 . . . . 0.0 112.588 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 37.6 m -66.01 -46.13 79.04 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 120.215 1.371 . . . . 0.0 112.791 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -61.19 -43.8 98.31 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.602 1.092 . . . . 0.0 111.265 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 90.6 m -67.41 -33.8 75.91 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 27.5 mt -64.58 -47.26 79.37 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.145 1.338 . . . . 0.0 111.222 170.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 7.7 mt -53.9 -42.67 68.94 Favored 'General case' 0 C--O 1.224 -0.246 0 O-C-N 121.623 -0.673 . . . . 0.0 111.371 171.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 37.2 t -69.21 -38.1 77.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 117.784 -1.103 . . . . 0.0 113.68 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 32.2 p -72.83 -39.83 66.28 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 121.761 2.073 . . . . 0.0 112.536 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 19.8 mt -56.43 -59.39 5.04 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 167.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -47.67 -47.26 29.59 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.62 -20.15 60.02 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 -174.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -131.17 -16.16 3.2 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -172.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.23 75.62 52.58 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 129.953 3.301 . . . . 0.0 106.994 170.174 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -44.71 146.09 2.45 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.86 3.04 . . . . 0.0 114.412 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.6 17.14 0.05 Allowed 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 176.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 51.96 18.88 0.88 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.813 2.045 . . . . 0.0 114.4 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 43.0 p90 44.36 8.42 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 128.953 2.901 . . . . 0.0 117.151 -166.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.08 144.08 81.52 Favored Pre-proline 0 N--CA 1.478 0.946 0 O-C-N 120.573 -1.329 . . . . 0.0 111.522 -176.334 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -64.44 -33.37 57.92 Favored 'Trans proline' 0 CA--C 1.537 0.675 0 C-N-CA 122.396 2.064 . . . . 0.0 112.339 175.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.56 72.86 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.647 0.658 . . . . 0.0 112.383 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 58.9 t -71.77 -38.53 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 119.863 1.21 . . . . 0.0 111.132 174.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -61.95 -34.43 76.1 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.324 -0.86 . . . . 0.0 113.153 172.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.22 -56.92 10.07 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.656 0.662 . . . . 0.0 110.144 165.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 26.7 p -59.04 -55.16 38.72 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 117.741 -1.123 . . . . 0.0 113.519 -164.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.32 -43.59 97.36 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 120.019 1.281 . . . . 0.0 112.268 -175.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.2 -51.36 31.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.28 0.632 . . . . 0.0 111.346 -175.101 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.18 -36.13 74.78 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.101 0.56 . . . . 0.0 111.313 169.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -67.43 -44.76 77.95 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 119.735 1.152 . . . . 0.0 111.322 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.94 -28.87 68.64 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.527 1.512 . . . . 0.0 111.577 173.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.42 97.38 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-O 118.118 -0.944 . . . . 0.0 113.219 166.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 95.3 p -76.66 -35.38 58.0 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 121.516 1.962 . . . . 0.0 113.736 176.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.63 -53.65 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.625 1.102 . . . . 0.0 108.998 165.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 26.6 t -52.35 -60.26 3.44 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.907 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 26.6 m -51.66 -47.56 63.73 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 117.916 -1.04 . . . . 0.0 112.564 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 80.8 t -71.02 -38.42 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 120.497 1.499 . . . . 0.0 111.98 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.81 -41.94 78.69 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 120.247 1.385 . . . . 0.0 110.316 168.527 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 70.2 p -91.91 31.32 1.25 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.971 1.708 . . . . 0.0 113.411 175.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 CA--C 1.545 0.755 0 O-C-N 120.499 -1.376 . . . . 0.0 111.366 175.656 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.315 7.4 p . . . . . 0 N--CA 1.513 2.718 0 CA-C-O 117.614 -1.184 . . . . 0.0 112.987 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 5.2 t60 34.99 74.07 0.07 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.057 2.143 . . . . 0.0 115.595 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 67.6 mt -54.58 122.66 11.05 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.371 -0.831 . . . . 0.0 111.269 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 61.6 m -52.55 132.43 45.22 Favored Pre-proline 0 N--CA 1.478 0.946 0 CA-C-O 117.253 -1.356 . . . . 0.0 109.558 168.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -48.76 -41.77 37.92 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.482 2.788 . . . . 0.0 116.512 -170.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -68.24 -36.93 80.23 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.484 -0.76 . . . . 0.0 112.367 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.01 -39.38 75.88 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.348 -0.845 . . . . 0.0 112.063 172.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -47.26 79.18 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 117.557 -1.211 . . . . 0.0 110.367 167.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 20.6 t -56.84 -47.02 81.29 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 120.05 1.295 . . . . 0.0 111.639 175.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.9 -57.31 11.45 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.491 1.116 . . . . 0.0 113.891 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 11' ' ' VAL . . . . . 0.522 HG23 ' CE1' ' D' ' 130' ' ' TYR . 0.2 OUTLIER -70.77 -49.89 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 119.177 0.899 . . . . 0.0 111.63 176.692 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 17.6 m -66.29 -35.53 80.63 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.78 1.173 . . . . 0.0 112.229 -167.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.9 -38.07 87.77 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.395 0.998 . . . . 0.0 112.464 172.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 tt -70.38 -34.95 73.17 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.253 -0.904 . . . . 0.0 111.334 173.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -36.53 76.0 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.638 1.175 . . . . 0.0 112.725 166.307 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.45 -41.8 98.75 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.81 1.195 . . . . 0.0 113.963 175.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -86.85 -16.93 34.62 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 175.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.14 131.26 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.883 1.273 . . . . 0.0 111.865 -178.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -88.47 77.88 7.98 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.548 1.139 . . . . 0.0 109.813 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -50.0 -38.95 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 124.813 1.245 . . . . 0.0 113.676 -168.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -13.56 62.36 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.833 1.253 . . . . 0.0 114.136 -178.498 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -124.6 -50.13 1.75 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.725 1.21 . . . . 0.0 111.17 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.71 -29.63 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 119.285 0.948 . . . . 0.0 112.798 173.237 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.77 -39.89 11.42 Favored Glycine 0 N--CA 1.472 1.064 0 O-C-N 121.337 -0.852 . . . . 0.0 112.676 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.95 -43.05 99.87 Favored Glycine 0 N--CA 1.476 1.305 0 CA-C-N 118.16 0.98 . . . . 0.0 112.008 169.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -56.69 -56.58 19.63 Favored 'General case' 0 C--O 1.214 -0.793 0 C-N-CA 124.487 1.115 . . . . 0.0 111.014 167.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.58 94.3 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 121.43 1.923 . . . . 0.0 114.369 -176.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 33.6 tp -69.63 -49.52 53.08 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.136 0.88 . . . . 0.0 111.834 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.62 -39.68 96.86 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-N 118.298 0.499 . . . . 0.0 112.22 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -54.49 -45.72 73.29 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 117.163 -1.398 . . . . 0.0 112.037 172.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -49.24 17.01 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 120.086 1.312 . . . . 0.0 112.057 -177.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 32' ' ' LEU . . . . . 0.495 HD22 ' H ' ' D' ' 32' ' ' LEU . 2.3 mm? -62.4 -44.32 96.72 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.109 0.964 . . . . 0.0 112.736 179.212 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -78.34 -27.91 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 121.374 -0.829 . . . . 0.0 112.508 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 19.1 t -67.77 -46.35 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.71 2.004 . . . . 0.0 111.07 175.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -133.78 83.68 46.61 Favored Pre-proline 0 CA--C 1.539 0.549 0 C-N-CA 124.619 1.167 . . . . 0.0 110.472 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_exo -50.08 -18.79 3.48 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 124.714 3.609 . . . . 0.0 117.04 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 -60.24 -33.79 72.78 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 120.135 1.334 . . . . 0.0 112.979 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 73.0 p -62.72 -20.99 65.45 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -53.4 -30.67 41.24 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.909 0.884 . . . . 0.0 113.135 167.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -60.04 -15.73 25.29 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 120.979 1.718 . . . . 0.0 114.228 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -108.88 1.48 20.85 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.077 1.751 . . . . 0.0 113.299 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -53.32 59.61 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.205 1.366 . . . . 0.0 112.475 -173.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 26.05 5.1 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.471 1 C-N-CA 134.547 5.139 . . . . 0.0 120.627 -176.386 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -162.3 -28.56 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.049 2.14 . . . . 0.0 113.087 -169.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -52.28 -32.55 37.95 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 176.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.64 159.49 17.55 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.841 1.21 . . . . 0.0 114.858 175.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 49.4 t0 42.49 -98.42 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 127.084 2.154 . . . . 0.0 114.078 -173.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 47.43 10.02 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 119.019 2.97 . . . . 0.0 119.019 176.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -57.8 -22.15 45.8 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -172.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 68.8 p -134.43 162.48 57.47 Favored Pre-proline 0 N--CA 1.473 0.713 0 C-N-CA 126.209 1.804 . . . . 0.0 110.643 171.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -50.01 -40.67 49.79 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.069 2.513 . . . . 0.0 114.399 167.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -62.8 -44.53 95.91 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.503 0.721 . . . . 0.0 111.725 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.72 -45.12 94.22 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.661 0.784 . . . . 0.0 112.88 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -66.21 -37.79 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 O-C-N 121.1 -1.0 . . . . 0.0 112.669 -177.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 3.0 ttm -79.56 -12.75 59.84 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.94 -21.89 9.82 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.988 1.28 . . . . 0.0 115.079 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -55.14 117.04 12.98 Favored Pre-proline 0 CA--C 1.557 1.237 0 CA-C-N 119.185 1.492 . . . . 0.0 111.926 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -51.24 -40.32 61.04 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 123.946 3.097 . . . . 0.0 115.167 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -26.1 61.57 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.999 -1.063 . . . . 0.0 112.582 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.21 -33.24 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 CA-C-N 119.44 1.018 . . . . 0.0 111.513 169.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.71 -45.02 88.36 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 120.426 1.466 . . . . 0.0 111.739 168.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.85 -49.45 77.66 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -67.16 -28.3 68.0 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.469 -1.394 . . . . 0.0 112.215 174.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.81 -49.08 82.38 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.828 1.68 . . . . 0.0 113.043 168.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -58.51 -40.26 82.37 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 122.042 -0.681 . . . . 0.0 111.497 168.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -63.69 -51.8 63.47 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.299 1.04 . . . . 0.0 112.661 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 13.8 p -62.53 -46.54 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 119.354 0.979 . . . . 0.0 112.363 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.57 -37.44 76.99 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.482 -0.761 . . . . 0.0 110.751 177.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.59 -43.99 46.39 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 125.161 1.363 . . . . 0.0 112.904 169.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.33 -48.48 81.11 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.558 1.179 . . . . 0.0 112.516 172.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -59.09 -37.02 76.13 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.316 -1.49 . . . . 0.0 113.24 172.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 7.3 t -67.73 -44.14 78.3 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.167 1.387 . . . . 0.0 112.753 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -56.55 -37.32 70.35 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.902 0.881 . . . . 0.0 111.27 168.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.16 -57.65 18.11 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 123.453 0.549 . . . . 0.0 112.313 170.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.5 mt -57.78 -24.43 57.11 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 176.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.43 -19.76 27.59 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.567 1.547 . . . . 0.0 114.882 175.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -141.19 41.07 1.78 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.648 1.579 . . . . 0.0 112.767 -172.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 96.2 mt -55.65 -19.19 9.71 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.65 -1.282 . . . . 0.0 114.257 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -52.83 -42.14 64.88 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.733 1.613 . . . . 0.0 113.126 172.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -153.63 113.31 3.84 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.678 1.591 . . . . 0.0 110.223 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 88.6 mt -94.25 2.48 55.88 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.11 0.964 . . . . 0.0 113.445 176.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -87.17 -53.06 5.06 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 120.45 -1.406 . . . . 0.0 112.449 -174.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.24 -36.82 71.18 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 123.661 0.648 . . . . 0.0 113.555 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.9 p -69.37 -12.6 61.79 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.21 1.804 . . . . 0.0 114.431 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -130.06 9.53 5.31 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.241 1.416 . . . . 0.0 112.952 -177.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.22 -34.5 70.48 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -170.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 21.8 p -65.97 -39.28 90.24 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.96 0.904 . . . . 0.0 111.908 171.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 53.3 mt -73.74 -40.59 63.42 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.581 1.152 . . . . 0.0 111.645 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 96.5 p -64.34 -41.66 96.65 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 119.82 1.191 . . . . 0.0 111.462 176.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -58.12 -48.44 80.2 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.562 -0.711 . . . . 0.0 112.685 170.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 15.4 tp -51.6 -55.09 21.21 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.738 0.815 . . . . 0.0 111.712 173.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -74.75 -30.92 61.64 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.106 -0.996 . . . . 0.0 113.247 -173.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 85.2 m -78.77 -39.17 36.73 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.684 1.129 . . . . 0.0 113.793 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -107.42 -24.53 11.79 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -169.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.2 -24.99 19.75 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.983 0.811 . . . . 0.0 113.077 174.48 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 32.3 mt -128.2 -44.84 1.41 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.528 1.131 . . . . 0.0 113.591 -172.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 15.0 t60 56.2 22.16 5.89 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 127.544 2.337 . . . . 0.0 116.391 -176.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 23.2 m -61.19 154.32 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 O-C-N 120.766 -1.209 . . . . 0.0 112.549 173.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.14 157.64 86.56 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 127.923 2.489 . . . . 0.0 113.078 -176.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -49.05 -41.29 40.77 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 124.625 3.55 . . . . 0.0 115.187 178.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -61.02 -30.11 70.11 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 120.856 -1.153 . . . . 0.0 113.289 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -62.67 -40.88 98.47 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.98 0.809 . . . . 0.0 111.49 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -65.65 -46.79 77.82 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.58 0.752 . . . . 0.0 110.25 174.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -55.47 -43.81 75.87 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.994 0.518 . . . . 0.0 110.974 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 34.9 mt -58.36 -44.92 89.03 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.925 1.29 . . . . 0.0 113.495 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.02 -46.51 88.03 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.702 1.137 . . . . 0.0 110.491 173.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.21 -38.41 95.59 Favored Glycine 0 CA--C 1.535 1.302 0 O-C-N 121.137 -0.977 . . . . 0.0 113.918 174.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -63.37 -40.03 96.15 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.582 1.191 . . . . 0.0 111.716 174.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 71.0 t -59.39 -54.45 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.314 -0.866 . . . . 0.0 110.61 167.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 45.8 tp -50.91 -53.59 31.4 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.301 1.04 . . . . 0.0 111.968 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 24.9 m -60.06 -35.69 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 118.849 0.749 . . . . 0.0 112.522 177.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 24.5 t -64.47 -38.08 89.76 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.763 0.711 . . . . 0.0 111.681 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 1.9 m -68.0 -43.68 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 121.09 -1.006 . . . . 0.0 111.486 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -38.64 85.33 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.504 -0.748 . . . . 0.0 111.609 172.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.55 -21.52 62.65 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.056 0.843 . . . . 0.0 112.923 172.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.79 -63.27 1.42 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.591 0.756 . . . . 0.0 111.476 166.44 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -66.2 -27.33 67.9 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -170.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -114.72 27.95 9.08 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.175 1.79 . . . . 0.0 111.119 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.57 -37.47 50.15 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.927 1.251 . . . . 0.0 115.412 -175.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -64.95 -7.5 11.81 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.541 1.536 . . . . 0.0 114.791 173.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -125.9 21.97 7.48 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.111 1.765 . . . . 0.0 111.877 -168.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -58.77 83.84 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 127.045 2.138 . . . . 0.0 113.749 175.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.26 149.5 94.33 Favored Pre-proline 0 N--CA 1.481 1.106 0 O-C-N 120.353 -1.467 . . . . 0.0 111.444 176.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 124' ' ' PRO . . . . . 0.447 ' CB ' ' HD3' ' D' ' 125' ' ' PRO 0.364 13.1 Cg_exo -33.62 -93.35 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.052 1 C-N-CA 126.978 5.119 . . . . 0.0 118.159 -173.896 . . . . . . . . 4 3 . 1 . 018 nuclear build core ' D' D ' 125' ' ' PRO . . . . . 0.447 ' HD3' ' CB ' ' D' ' 124' ' ' PRO . 71.6 Cg_exo -70.21 17.84 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 CA-C-N 124.538 2.656 . . . . 0.0 118.718 169.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 2.0 p -53.76 -43.11 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 CA-C-N 123.273 2.76 . . . . 0.0 113.881 -167.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -64.46 -41.16 96.69 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.42 -0.8 . . . . 0.0 111.691 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 128' ' ' ALA . . . . . 0.681 ' HB2' ' HA ' ' C' ' 35' ' ' SER . . . -60.94 -46.11 92.01 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.324 1.05 . . . . 0.0 111.755 174.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.23 -43.59 95.92 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.147 0.979 . . . . 0.0 111.206 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 130' ' ' TYR . . . . . 0.522 ' CE1' HG23 ' D' ' 11' ' ' VAL . 37.8 m-85 -59.75 -52.34 65.92 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 118.565 -0.731 . . . . 0.0 112.422 168.11 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.02 -37.92 64.6 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.837 1.199 . . . . 0.0 112.583 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -61.84 -51.76 66.92 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.827 1.251 . . . . 0.0 113.404 173.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.36 -36.33 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 CA-C-N 119.941 1.246 . . . . 0.0 112.962 175.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 25.8 t -59.26 -45.61 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.963 1.305 . . . . 0.0 111.336 173.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.14 94.42 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.141 0.882 . . . . 0.0 111.727 175.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.58 -50.65 63.46 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 123.374 0.512 . . . . 0.0 112.86 170.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 32.8 t -60.89 -44.62 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 117.921 0.86 . . . . 0.0 112.319 175.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -57.79 -49.67 75.84 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.311 0.96 . . . . 0.0 111.932 175.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.27 -37.03 85.64 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.751 -0.593 . . . . 0.0 112.272 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.69 96.22 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.348 -0.845 . . . . 0.0 112.648 172.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 8.7 mt -68.18 -31.95 71.85 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 120.556 -1.34 . . . . 0.0 112.153 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.46 -6.64 41.94 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 169.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -56.21 -41.63 75.91 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.191 -1.568 . . . . 0.0 113.114 -173.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -70.35 5.84 1.59 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.349 1.46 . . . . 0.0 114.876 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -59.0 -17.8 28.37 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 120.346 1.43 . . . . 0.0 113.671 168.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 3.2 p80 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 125.472 1.509 . . . . 0.0 114.956 176.767 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.497 1.912 0 CA-C-O 116.147 -1.883 . . . . 0.0 108.468 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.403 ' CD1' HG22 ' A' ' 73' ' ' VAL . 46.1 mt 131.7 -169.87 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 131.157 3.783 . . . . 0.0 111.15 -173.253 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.52 165.28 23.73 Favored Pre-proline 0 N--CA 1.476 0.843 0 C-N-CA 127.003 2.121 . . . . 0.0 112.363 -173.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.78 -39.77 1.71 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.215 1.944 . . . . 0.0 112.111 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.49 -34.19 60.84 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 118.816 -0.612 . . . . 0.0 112.201 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.434 ' OD2' ' HE3' ' A' ' 127' ' ' LYS . 0.6 OUTLIER -61.17 -44.41 97.34 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 119.953 1.251 . . . . 0.0 110.702 178.076 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -51.75 -50.86 59.8 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.938 0.895 . . . . 0.0 112.338 173.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.3 m -54.85 -44.43 73.97 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.259 0.936 . . . . 0.0 111.469 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -72.42 -33.09 66.86 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.8 -51.06 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-N 119.175 0.898 . . . . 0.0 110.384 169.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -60.88 -41.32 95.75 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.746 0.819 . . . . 0.0 111.021 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.58 -54.14 49.98 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.302 0.641 . . . . 0.0 111.384 172.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.8 -54.06 47.13 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.657 0.662 . . . . 0.0 111.973 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -65.65 -25.07 67.18 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.028 0.931 . . . . 0.0 113.463 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.85 -36.8 93.88 Favored Glycine 0 CA--C 1.534 1.263 0 O-C-N 121.18 -0.95 . . . . 0.0 113.253 169.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -77.1 -32.48 56.63 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 118.043 0.922 . . . . 0.0 111.765 172.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.6 t -58.94 -50.98 77.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.146 0.978 . . . . 0.0 111.41 173.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.45 -134.62 6.6 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 123.887 0.756 . . . . 0.0 113.79 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.73 -19.57 64.08 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -70.4 -6.51 36.14 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.042 -1.036 . . . . 0.0 113.54 176.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -40.05 -56.42 1.87 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.443 1.497 . . . . 0.0 113.074 175.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.95 -33.47 87.33 Favored Glycine 0 N--CA 1.468 0.83 0 O-C-N 121.657 -0.652 . . . . 0.0 114.247 -178.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.36 -47.57 85.26 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.385 1.074 . . . . 0.0 109.755 173.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -67.47 -37.94 83.65 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.901 0.48 . . . . 0.0 111.964 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.81 -49.27 80.52 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-N 118.625 0.648 . . . . 0.0 112.708 171.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.72 -49.83 75.91 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.138 0.969 . . . . 0.0 111.292 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -57.32 -37.26 72.23 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 173.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -67.92 -37.31 81.51 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.198 0.908 . . . . 0.0 113.033 -179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.46 -46.41 88.61 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.148 0.979 . . . . 0.0 111.531 170.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.42 -48.04 83.01 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.792 -0.568 . . . . 0.0 112.023 176.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -54.33 -46.18 72.84 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 118.198 -0.906 . . . . 0.0 111.753 172.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.8 ttp -57.48 -46.61 83.5 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.977 0.808 . . . . 0.0 112.675 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.43 -54.14 50.2 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.583 0.629 . . . . 0.0 110.918 172.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.8 -40.64 97.14 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.297 0.639 . . . . 0.0 112.273 -173.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.8 p -76.51 -29.68 56.88 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.133 1.373 . . . . 0.0 112.922 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.89 76.01 23.62 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.714 1.606 . . . . 0.0 109.32 -172.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -49.53 -28.1 15.71 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 124.279 3.319 . . . . 0.0 115.392 -177.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -40.64 -44.99 2.26 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.631 1.972 . . . . 0.0 113.343 165.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 p -63.34 -26.21 68.66 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -176.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -54.78 -30.98 58.16 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.611 1.096 . . . . 0.0 113.04 174.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 t -59.03 -31.41 68.81 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 175.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.422 ' CD1' HG22 ' A' ' 93' ' ' VAL . 30.2 m-85 -80.27 12.06 3.16 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.828 1.251 . . . . 0.0 113.6 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -123.64 63.39 27.4 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 126.583 1.953 . . . . 0.0 110.586 172.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -70.42 -4.65 14.9 Favored 'Trans proline' 0 CA--C 1.548 1.18 0 C-N-CA 123.917 3.078 . . . . 0.0 114.512 -176.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.85 22.03 1.6 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.127 1.771 . . . . 0.0 113.736 -170.018 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -129.03 109.17 10.98 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.75 1.22 . . . . 0.0 110.31 -168.254 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -73.9 113.38 10.99 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.613 -0.68 . . . . 0.0 111.203 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.8 mt -89.1 35.01 0.79 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.008 0.923 . . . . 0.0 112.216 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.0 m -53.38 150.99 5.85 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.519 1.528 . . . . 0.0 112.105 174.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -58.33 125.07 21.7 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.23 -0.919 . . . . 0.0 110.976 176.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.63 20.58 78.6 Favored Glycine 0 CA--C 1.541 1.66 0 CA-C-O 118.842 -0.977 . . . . 0.0 115.074 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.51 117.18 2.27 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.062 1.431 . . . . 0.0 114.102 -175.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.33 -35.92 68.16 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.436 1.095 . . . . 0.0 113.01 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -63.22 -38.35 90.81 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 173.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.6 t -70.46 -42.89 78.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 CA-C-N 119.789 1.177 . . . . 0.0 110.874 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -60.66 -47.79 84.66 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.876 0.871 . . . . 0.0 111.561 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.98 -57.45 19.66 Favored Glycine 0 C--O 1.222 -0.656 0 C-N-CA 125.154 1.359 . . . . 0.0 111.882 173.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -52.32 -43.77 64.73 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.68 1.24 . . . . 0.0 112.237 176.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.47 -49.1 40.27 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.262 -0.743 . . . . 0.0 114.249 170.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -55.8 -44.91 78.25 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.417 1.109 . . . . 0.0 111.934 172.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -62.84 -52.07 64.56 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 118.945 0.793 . . . . 0.0 111.649 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.0 t -53.25 -47.45 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.993 0.917 . . . . 0.0 110.805 175.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.52 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -73.62 -34.42 65.02 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -176.496 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -65.39 -36.65 84.63 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 121.162 -0.961 . . . . 0.0 111.58 170.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.44 -30.13 70.42 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.154 -0.966 . . . . 0.0 112.787 168.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -45.72 90.09 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.733 -1.23 . . . . 0.0 111.255 166.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 54.0 m -55.36 -46.41 76.44 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 120.143 1.338 . . . . 0.0 112.479 169.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.93 -27.5 65.81 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.839 -1.163 . . . . 0.0 112.816 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.57 -56.61 14.6 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 117.182 -1.39 . . . . 0.0 110.422 160.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -48.47 -39.6 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 CA-C-N 121.359 1.89 . . . . 0.0 112.666 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.17 -24.7 66.7 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -145.43 42.16 1.26 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.002 1.721 . . . . 0.0 112.95 -169.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.403 HG22 ' CD1' ' A' ' 2' ' ' LEU . 7.3 p -87.31 -45.76 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -161.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -80.29 -7.91 59.24 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 120.696 1.589 . . . . 0.0 111.729 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -119.49 2.68 11.25 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.325 -1.484 . . . . 0.0 113.57 -170.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 mtt -27.31 88.33 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.19 0 C-N-CA 128.216 2.607 . . . . 0.0 115.427 -167.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -91.57 49.62 0.66 Allowed 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.522 2.814 . . . . 0.0 111.487 -165.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . 0.339 0.0 OUTLIER 72.44 16.49 4.94 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.503 1.921 . . . . 0.0 114.457 -164.591 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.12 -16.81 61.22 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -177.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.1 mt -101.48 4.19 40.97 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 119.589 1.086 . . . . 0.0 112.504 170.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.6 t -59.74 -36.64 77.01 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.777 -1.202 . . . . 0.0 113.649 -174.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.7 -28.15 63.57 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.252 0.933 . . . . 0.0 112.571 172.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mt -85.17 -43.1 14.12 Favored 'General case' 0 CA--C 1.526 0.052 0 C-N-CA 124.722 1.209 . . . . 0.0 110.341 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -55.47 -38.75 69.49 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.874 -0.584 . . . . 0.0 111.606 169.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -64.37 -48.25 76.19 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.069 1.348 . . . . 0.0 112.561 171.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.17 -45.58 72.13 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.451 1.023 . . . . 0.0 110.254 175.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -69.37 -61.99 1.56 Allowed 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.657 -0.652 . . . . 0.0 110.242 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.6 -28.48 65.63 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -173.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -109.18 3.87 22.29 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.067 0.947 . . . . 0.0 112.993 -174.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -142.04 -35.95 0.43 Allowed 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -176.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.87 -48.42 0.33 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 115.659 1.726 . . . . 0.0 115.659 -173.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 52.54 50.0 19.17 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 127.642 2.377 . . . . 0.0 114.955 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.422 HG22 ' CD1' ' A' ' 42' ' ' TYR . 6.3 t -59.35 148.37 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.508 0.723 . . . . 0.0 112.076 175.328 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.501 ' HB2' HG12 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -64.2 139.68 97.75 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 123.978 0.911 . . . . 0.0 111.587 175.389 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.23 -13.02 1.77 Allowed 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 124.019 3.146 . . . . 0.0 115.547 170.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.501 HG12 ' HB2' ' A' ' 94' ' ' ASP . 9.3 p -51.43 -45.39 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 120.79 1.632 . . . . 0.0 111.946 168.281 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.11 -37.85 78.17 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.439 -0.788 . . . . 0.0 111.03 174.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.446 ' CG ' ' HB3' ' A' ' 133' ' ' SER . 12.4 t80 -60.27 -51.01 71.36 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 118.561 -0.733 . . . . 0.0 110.881 173.112 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -57.59 -32.21 66.95 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 119.283 0.947 . . . . 0.0 112.262 -177.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.8 mt -70.65 -57.76 4.37 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.412 1.085 . . . . 0.0 110.003 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.3 tp -50.54 -45.1 56.7 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.837 1.655 . . . . 0.0 112.725 176.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.9 p -65.66 -44.96 84.73 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.371 -0.83 . . . . 0.0 112.827 -178.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -39.07 88.85 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.566 -0.708 . . . . 0.0 111.068 170.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 76.8 m -64.25 -38.4 90.92 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.579 -0.701 . . . . 0.0 111.188 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.1 mt -63.66 -49.7 72.16 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.228 1.011 . . . . 0.0 111.638 173.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.2 mt -49.58 -47.44 49.41 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.283 0.947 . . . . 0.0 110.608 173.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.2 t -54.34 -48.56 67.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 123.353 0.661 . . . . 0.0 112.405 173.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -38.68 89.23 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 120.402 1.455 . . . . 0.0 112.581 177.085 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mt -59.23 -44.16 92.34 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.853 0.751 . . . . 0.0 109.836 176.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.65 -35.75 68.73 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.417 -0.802 . . . . 0.0 112.876 175.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.21 -6.98 10.82 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -137.91 -31.09 0.79 Allowed 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -173.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.2 170.32 16.57 Favored Pre-proline 0 CA--C 1.555 1.157 0 C-N-CA 124.919 1.287 . . . . 0.0 109.949 168.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -75.07 -128.67 0.01 OUTLIER 'Trans proline' 0 CA--C 1.546 1.096 0 C-N-CA 122.741 2.294 . . . . 0.0 108.798 164.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.4 61.07 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.408 1.483 . . . . 0.0 113.847 172.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.86 -17.11 1.22 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 119.394 -2.066 . . . . 0.0 114.462 176.076 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.407 ' CE2' ' HA ' ' B' ' 113' ' ' VAL . 0.2 OUTLIER -97.31 28.68 3.54 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 127.296 2.239 . . . . 0.0 112.793 179.332 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.5 170.88 1.16 Allowed Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 119.127 -2.233 . . . . 0.0 111.226 168.257 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -56.78 -51.4 9.09 Favored 'Trans proline' 0 C--N 1.346 0.434 0 CA-C-N 122.744 2.016 . . . . 0.0 111.615 166.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.2 -34.46 77.69 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.665 -0.683 . . . . 0.0 112.705 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.8 t -96.9 -38.05 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.661 1.118 . . . . 0.0 112.781 -176.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -69.68 -49.48 53.11 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 120.482 1.492 . . . . 0.0 111.603 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.04 -50.74 72.41 Favored 'General case' 0 C--N 1.345 0.412 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.3 t -48.66 -60.86 2.37 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 118.082 -0.961 . . . . 0.0 112.897 174.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.95 -41.54 91.11 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.913 1.233 . . . . 0.0 112.17 -173.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.83 -50.37 72.54 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.444 1.02 . . . . 0.0 111.963 176.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.434 ' HE3' ' OD2' ' A' ' 6' ' ' ASP . 0.0 OUTLIER -71.73 -31.02 66.26 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 178.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -60.54 -56.64 18.94 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.781 1.233 . . . . 0.0 109.842 171.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.53 -37.47 81.29 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.671 177.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.52 -38.13 74.16 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 120.495 1.498 . . . . 0.0 114.2 170.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.1 m -70.99 -36.91 72.66 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 120.215 -1.553 . . . . 0.0 112.684 170.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 94.8 t -57.56 -49.38 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-O 117.18 -1.39 . . . . 0.0 109.485 171.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.446 ' HB3' ' CG ' ' A' ' 98' ' ' PHE . 1.4 p -60.43 -43.69 96.53 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 120.98 1.718 . . . . 0.0 113.209 174.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 42.9 m -51.0 -48.32 61.42 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.965 1.257 . . . . 0.0 110.913 174.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 64.0 t -78.94 -26.31 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -3.07 29.83 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.351 -1.468 . . . . 0.0 113.369 168.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 84.9 m -123.45 -17.91 6.37 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.405 1.482 . . . . 0.0 112.473 -176.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.8 p . . . . . 0 CA--C 1.546 0.801 0 O-C-N 120.882 -1.136 . . . . 0.0 112.613 173.62 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' VAL . . . . . 0.431 HG11 HD22 ' B' ' 78' ' ' LEU 0.301 1.4 p . . . . . 0 N--CA 1.515 2.812 0 CA-C-O 117.638 -1.173 . . . . 0.0 112.779 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 35.97 67.19 0.31 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 126.887 2.075 . . . . 0.0 114.742 172.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.21 162.59 4.39 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.349 0.66 . . . . 0.0 112.407 -173.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.15 151.16 87.21 Favored Pre-proline 0 N--CA 1.479 1.019 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.452 166.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -52.85 -35.48 70.26 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 122.61 2.207 . . . . 0.0 114.662 172.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -73.4 -42.54 61.99 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.531 -0.73 . . . . 0.0 112.388 176.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -63.5 -44.99 92.74 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.481 -0.762 . . . . 0.0 111.534 173.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -51.53 66.94 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.486 1.114 . . . . 0.0 110.524 172.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.8 t -51.44 -48.44 62.73 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.556 0.616 . . . . 0.0 111.067 175.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.4 -56.95 15.54 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 4.1 p -62.75 -49.26 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 120.144 1.338 . . . . 0.0 111.621 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -75.21 -33.43 61.37 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.927 0.785 . . . . 0.0 112.58 -171.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.85 -35.77 79.14 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 120.3 1.409 . . . . 0.0 111.768 172.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -36.34 77.31 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.384 -0.822 . . . . 0.0 111.336 172.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -58.61 -42.78 88.94 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.927 0.891 . . . . 0.0 112.146 167.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.16 -31.67 59.33 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.461 1.505 . . . . 0.0 115.618 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -94.61 -12.3 27.71 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 118.41 1.105 . . . . 0.0 113.519 174.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.46 137.48 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 124.144 0.978 . . . . 0.0 111.801 -168.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -85.02 83.54 8.02 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 175.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 41.8 t -53.47 -33.74 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 119.699 1.136 . . . . 0.0 113.266 -169.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -38.81 92.31 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.617 1.567 . . . . 0.0 112.713 174.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -107.15 -40.14 5.51 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.451 0.7 . . . . 0.0 111.676 -166.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.26 -33.6 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 119.327 0.967 . . . . 0.0 110.805 162.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.12 -47.89 7.27 Favored Glycine 0 C--N 1.342 0.906 0 O-C-N 121.504 -0.748 . . . . 0.0 111.387 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.88 -43.3 94.85 Favored Glycine 0 C--N 1.337 0.611 0 CA-C-N 117.678 0.739 . . . . 0.0 112.572 171.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.56 ' HB2' HH11 ' B' ' 30' ' ' ARG . 4.4 pt-20 -72.14 -43.61 64.41 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 116.851 -1.547 . . . . 0.0 111.98 176.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.99 95.72 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 122.612 2.46 . . . . 0.0 112.229 177.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.2 tp -68.14 -45.45 73.55 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-O 119.377 -0.344 . . . . 0.0 111.702 177.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.36 -44.14 93.59 Favored Glycine 0 N--CA 1.465 0.621 0 O-C-N 120.881 -1.137 . . . . 0.0 111.52 171.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.56 HH11 ' HB2' ' B' ' 26' ' ' GLU . 0.6 OUTLIER -63.39 -21.7 66.44 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 116.829 -1.558 . . . . 0.0 113.759 177.297 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 tp -65.97 -55.23 17.82 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.85 1.659 . . . . 0.0 110.205 161.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.83 -31.66 72.42 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.465 -0.772 . . . . 0.0 112.016 -172.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.513 HG22 ' HA ' ' B' ' 30' ' ' ARG . 12.4 m -68.5 -19.81 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 t -63.52 -3.99 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 CA-C-N 120.876 1.671 . . . . 0.0 112.056 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 45.38 45.52 2.35 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 126.14 1.776 . . . . 0.0 111.704 -161.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -76.15 167.41 25.99 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 121.018 1.145 . . . . 0.0 109.203 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -51.85 -23.09 4.34 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 168.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 3.1 p -57.56 -23.62 51.6 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.768 -1.208 . . . . 0.0 112.567 171.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -55.55 -19.24 9.34 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.741 1.216 . . . . 0.0 113.32 174.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.422 ' HD3' ' CD2' ' B' ' 41' ' ' PHE . 0.0 OUTLIER -51.13 -39.99 57.5 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.315 1.871 . . . . 0.0 112.749 167.496 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 41' ' ' PHE . . . . . 0.422 ' CD2' ' HD3' ' B' ' 40' ' ' ARG . 68.0 m-85 -88.87 6.49 38.91 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.405 1.082 . . . . 0.0 113.462 -178.322 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.24 -27.01 5.3 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 176.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -50.63 -18.2 0.65 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 128.6 2.76 . . . . 0.0 116.369 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 30.4 p -109.13 -3.16 17.54 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.722 1.609 . . . . 0.0 114.176 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -96.74 -17.14 20.49 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -171.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.06 150.78 0.55 Allowed Glycine 0 CA--C 1.536 1.396 0 CA-C-N 119.47 1.032 . . . . 0.0 114.619 -178.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 t0 37.54 -82.67 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 128.807 2.843 . . . . 0.0 115.939 -172.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 42.66 -12.01 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.236 1 C-N-CA 132.527 4.331 . . . . 0.0 121.61 176.44 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 21.9 t -58.15 -17.34 17.85 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.175 1.79 . . . . 0.0 114.551 -171.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.1 p -136.7 166.45 27.44 Favored Pre-proline 0 N--CA 1.472 0.646 0 C-N-CA 126.71 2.004 . . . . 0.0 109.782 -176.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -59.63 -53.44 3.33 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 121.702 1.601 . . . . 0.0 112.47 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.42 -36.14 73.14 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.213 1.005 . . . . 0.0 111.73 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.7 -59.87 4.52 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.258 0.623 . . . . 0.0 111.634 170.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.6 p -65.59 -35.27 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 120.485 -1.385 . . . . 0.0 113.479 -171.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 5.9 mtt -77.2 -30.79 54.94 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.54 0.736 . . . . 0.0 112.862 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.47 -24.46 23.82 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 123.905 0.764 . . . . 0.0 114.32 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -61.83 125.76 85.64 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 124.642 1.177 . . . . 0.0 112.996 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.33 -38.23 35.75 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.305 2.67 . . . . 0.0 113.645 -170.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -61.76 -38.55 88.44 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.186 0.903 . . . . 0.0 112.512 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 95.7 t -65.16 -37.63 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-O 118.701 -0.666 . . . . 0.0 110.806 172.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -67.93 -47.54 68.45 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 120.117 1.326 . . . . 0.0 111.873 175.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.86 75.63 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.97 0.908 . . . . 0.0 113.247 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.39 -36.53 80.51 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.748 -1.22 . . . . 0.0 111.09 171.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.0 -48.09 64.04 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 126.145 1.831 . . . . 0.0 113.192 169.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -60.56 -34.53 74.29 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 118.536 -0.745 . . . . 0.0 112.622 171.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -68.8 -50.35 50.96 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.103 0.961 . . . . 0.0 113.044 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -52.43 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 119.992 1.269 . . . . 0.0 111.139 175.155 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 tt -72.64 -32.26 65.75 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.944 -0.472 . . . . 0.0 112.263 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.72 -35.7 75.48 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 125.031 1.301 . . . . 0.0 112.793 170.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.14 86.74 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.726 1.263 . . . . 0.0 111.184 166.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.428 ' CE1' HG11 ' B' ' 137' ' ' VAL . 2.0 m-30 -59.18 -34.56 72.27 Favored 'General case' 0 CA--C 1.552 1.053 0 O-C-N 120.518 -1.364 . . . . 0.0 111.584 177.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -44.32 76.99 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.449 1.1 . . . . 0.0 113.63 171.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.22 -34.13 68.24 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.692 0.797 . . . . 0.0 111.457 170.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.42 -63.71 4.77 Favored Glycine 0 C--O 1.221 -0.679 0 CA-C-O 119.019 -0.878 . . . . 0.0 111.535 167.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.01 -31.53 30.06 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 118.983 1.391 . . . . 0.0 114.124 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.27 -25.62 51.59 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.788 1.635 . . . . 0.0 115.117 175.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -146.01 44.79 1.26 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.827 1.651 . . . . 0.0 112.645 -170.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.431 HD22 HG11 ' B' ' 1' ' ' VAL . 33.1 mt -57.45 -18.01 16.12 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -178.413 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -50.67 -39.87 52.15 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.465 1.506 . . . . 0.0 113.86 170.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -150.98 96.33 2.31 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.903 0.881 . . . . 0.0 112.096 -175.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.43 HD21 HD23 ' B' ' 78' ' ' LEU . 28.8 mt -81.46 -45.76 15.54 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.47 -0.768 . . . . 0.0 112.98 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -56.88 -23.85 47.64 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 173.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.5 -7.67 64.84 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.464 1.507 . . . . 0.0 115.142 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.81 -19.08 12.55 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 118.925 1.363 . . . . 0.0 112.758 175.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' PHE . . . . . 0.522 ' CE2' HG23 ' B' ' 137' ' ' VAL . 18.5 m-85 -108.43 5.57 25.45 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.09 -39.34 55.88 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 121.002 1.728 . . . . 0.0 114.992 -173.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 10.6 p -64.84 -35.95 82.75 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.424 1.09 . . . . 0.0 112.833 172.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.95 -41.77 70.67 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 124.578 1.151 . . . . 0.0 110.55 172.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -56.96 -42.41 80.06 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.651 1.114 . . . . 0.0 111.007 172.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -65.69 -45.1 84.11 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.328 -0.858 . . . . 0.0 112.688 172.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.07 -50.85 70.31 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 120.699 -1.251 . . . . 0.0 112.081 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -78.81 -8.33 58.69 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -176.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' B' ' 97' ' ' HIS . 11.4 t -119.61 -65.8 1.13 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.776 0.717 . . . . 0.0 112.764 176.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.59 -35.9 82.5 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.524 -1.36 . . . . 0.0 114.132 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -94.43 -69.36 0.76 Allowed 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 65.2 mt -77.69 -33.13 53.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.29 1.036 . . . . 0.0 112.147 -175.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' HIS . . . . . 0.404 ' HA ' ' HA ' ' B' ' 93' ' ' CYS . 0.1 OUTLIER 52.54 21.61 1.87 Allowed 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -176.514 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -45.79 127.99 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.185 1.394 . . . . 0.0 111.01 174.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.27 132.56 91.59 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-O 118.854 -0.593 . . . . 0.0 111.805 -173.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -47.94 -24.91 5.65 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 124.805 3.67 . . . . 0.0 118.488 -174.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -51.25 -35.56 37.77 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.913 1.233 . . . . 0.0 112.094 171.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -66.43 -35.16 79.62 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.482 1.513 . . . . 0.0 111.433 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -65.36 -46.62 79.45 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.784 0.834 . . . . 0.0 110.833 175.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -62.71 -43.72 98.07 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 121.726 -0.609 . . . . 0.0 111.798 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 19.8 mt -55.04 -49.72 70.87 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 119.387 -0.34 . . . . 0.0 111.382 172.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.54 -33.88 70.38 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.323 0.649 . . . . 0.0 112.63 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -68.15 -51.78 31.36 Favored Glycine 0 N--CA 1.467 0.746 0 O-C-N 121.27 -0.893 . . . . 0.0 113.763 169.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -63.74 -33.96 76.81 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.981 -0.717 . . . . 0.0 112.572 -177.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 15.5 m -67.74 -42.19 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 117.799 -1.096 . . . . 0.0 112.375 169.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 41.7 tp -60.09 -48.79 80.24 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 121.147 1.794 . . . . 0.0 111.337 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 33.6 m -59.23 -34.78 54.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.623 0.647 . . . . 0.0 111.909 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 8.1 t -64.34 -41.27 96.86 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.709 0.686 . . . . 0.0 112.802 171.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 113' ' ' VAL . . . . . 0.407 ' HA ' ' CE2' ' A' ' 117' ' ' PHE 0.266 1.5 m -72.21 -38.52 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 O-C-N 120.464 -1.398 . . . . 0.0 113.052 -179.8 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 21.8 mt -55.94 -42.86 76.82 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.389 0.675 . . . . 0.0 110.552 170.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.47 -22.25 64.9 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 115.049 1.499 . . . . 0.0 115.049 176.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -76.63 -63.55 1.32 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 121.371 1.896 . . . . 0.0 111.382 168.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -63.57 -23.26 67.31 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -168.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -125.7 18.89 7.99 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.137 1.375 . . . . 0.0 112.779 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -47.94 -41.01 20.56 Favored Glycine 0 N--CA 1.479 1.536 0 C-N-CA 125.3 1.429 . . . . 0.0 116.304 -172.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -58.98 -16.94 20.5 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 126.112 1.765 . . . . 0.0 114.83 176.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -134.14 13.39 3.9 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.336 2.254 . . . . 0.0 111.947 -177.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -95.58 59.5 2.12 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.651 1.18 . . . . 0.0 112.079 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 54.0 p -54.93 157.06 6.05 Favored Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 125.643 1.577 . . . . 0.0 113.325 -172.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -48.36 -47.05 21.18 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 121.943 1.762 . . . . 0.0 114.883 173.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -59.68 -31.23 93.91 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.091 1.86 . . . . 0.0 114.98 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.37 -40.51 73.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 121.264 1.847 . . . . 0.0 112.852 -178.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 8.6 tm0? -57.82 -51.83 67.96 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.95 -44.23 86.84 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 123.683 0.793 . . . . 0.0 112.718 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -56.51 -54.32 47.15 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.877 1.271 . . . . 0.0 111.558 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -53.15 -50.6 64.23 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.589 0.631 . . . . 0.0 112.126 171.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -36.61 72.8 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 118.421 -0.799 . . . . 0.0 111.781 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -69.87 -38.29 76.36 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.706 1.139 . . . . 0.0 112.847 177.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.77 -47.36 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 CA-C-N 119.574 1.079 . . . . 0.0 110.559 167.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 65.9 t -78.5 -26.33 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 122.842 0.457 . . . . 0.0 112.176 -171.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.85 97.56 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.042 -1.661 . . . . 0.0 110.56 167.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.52 -47.39 90.19 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 124.146 0.879 . . . . 0.0 113.088 169.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 137' ' ' VAL . . . . . 0.522 HG23 ' CE2' ' B' ' 85' ' ' PHE . 0.4 OUTLIER -57.15 -46.03 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 CA-C-N 119.313 1.556 . . . . 0.0 111.837 174.448 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.91 89.91 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.858 0.754 . . . . 0.0 111.311 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.31 -39.22 86.22 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.58 0.752 . . . . 0.0 112.776 172.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.61 -42.41 78.18 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.721 -0.612 . . . . 0.0 112.285 175.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.17 -41.12 98.01 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.443 1.474 . . . . 0.0 111.53 173.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.6 -11.45 11.45 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.709 1.203 . . . . 0.0 114.092 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -53.47 -35.42 60.54 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 121.55 1.977 . . . . 0.0 114.237 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -76.37 -6.95 53.86 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 176.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.113 0 C-N-CA 126.649 1.98 . . . . 0.0 113.783 -176.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.5 2.06 0 CA-C-O 116.314 -1.803 . . . . 0.0 108.351 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 46.3 mt 131.56 -169.95 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 131.256 3.822 . . . . 0.0 111.234 -173.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.34 165.26 23.45 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 127.145 2.178 . . . . 0.0 112.383 -173.326 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -73.72 -40.04 1.63 Allowed 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.299 1.999 . . . . 0.0 111.992 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.39 -34.19 61.07 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 118.771 -0.633 . . . . 0.0 112.264 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 6' ' ' ASP . . . . . 0.437 ' OD2' ' HE3' ' C' ' 127' ' ' LYS . 0.6 OUTLIER -61.09 -44.57 97.16 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.898 1.226 . . . . 0.0 110.713 178.011 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -51.6 -50.87 59.37 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.939 0.895 . . . . 0.0 112.381 173.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 53.4 m -54.84 -44.38 73.87 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.234 0.925 . . . . 0.0 111.533 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -72.43 -33.18 66.91 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.56 -51.23 70.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 119.206 0.912 . . . . 0.0 110.486 169.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.71 -41.62 95.6 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.875 0.87 . . . . 0.0 111.042 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.34 -54.18 49.66 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.382 0.673 . . . . 0.0 111.474 172.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.79 -54.03 47.46 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.576 0.625 . . . . 0.0 111.996 176.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -65.62 -25.03 67.2 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.98 -36.7 93.81 Favored Glycine 0 CA--C 1.535 1.282 0 O-C-N 121.177 -0.952 . . . . 0.0 113.208 169.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -77.08 -32.47 56.76 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 118.095 0.948 . . . . 0.0 111.829 172.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.19 -50.94 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.214 1.006 . . . . 0.0 111.318 173.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.55 -134.65 6.72 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 123.742 0.687 . . . . 0.0 113.798 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.91 -19.42 64.2 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -70.43 -6.54 36.5 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.114 -0.991 . . . . 0.0 113.58 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.54 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -40.05 -56.4 1.87 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.496 1.518 . . . . 0.0 112.986 175.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.95 -33.62 87.73 Favored Glycine 0 N--CA 1.468 0.825 0 O-C-N 121.71 -0.619 . . . . 0.0 114.226 -178.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.31 -47.64 85.01 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.477 1.111 . . . . 0.0 109.628 173.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -67.53 -37.6 82.98 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 122.973 0.509 . . . . 0.0 112.057 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.11 -49.02 82.81 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-N 118.662 0.665 . . . . 0.0 112.669 171.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.96 -49.82 75.9 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.118 0.959 . . . . 0.0 111.214 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -57.47 -37.33 72.71 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 173.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -67.83 -37.27 81.71 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.177 0.899 . . . . 0.0 113.002 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.34 -46.3 89.31 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.192 0.997 . . . . 0.0 111.634 170.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.65 -47.88 83.38 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.741 -0.599 . . . . 0.0 112.006 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 71.6 mtt85 -54.49 -46.11 73.38 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 118.153 -0.927 . . . . 0.0 111.711 173.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 63.8 ttp -57.49 -46.57 83.58 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.954 0.797 . . . . 0.0 112.521 177.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.5 -54.09 50.74 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 118.636 0.653 . . . . 0.0 111.008 172.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.75 -40.65 97.24 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.304 0.641 . . . . 0.0 112.131 -173.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 86.4 p -76.55 -29.78 56.82 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.038 1.335 . . . . 0.0 112.942 -176.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.77 76.3 23.78 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.769 1.628 . . . . 0.0 109.316 -172.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.51 -28.42 16.28 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 124.202 3.268 . . . . 0.0 115.317 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -40.64 -44.18 2.08 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.43 1.892 . . . . 0.0 113.44 165.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 64.8 p -64.01 -26.41 68.56 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -54.82 -31.12 58.88 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.649 1.113 . . . . 0.0 112.908 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 1.1 t -58.83 -31.35 68.4 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 42' ' ' TYR . . . . . 0.425 ' CD1' HG22 ' C' ' 93' ' ' VAL . 29.9 m-85 -80.27 11.79 3.33 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.855 1.262 . . . . 0.0 113.568 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -123.34 63.34 24.31 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 126.625 1.97 . . . . 0.0 110.661 172.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -70.38 -4.61 14.8 Favored 'Trans proline' 0 CA--C 1.547 1.165 0 C-N-CA 123.801 3.0 . . . . 0.0 114.544 -176.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.75 21.99 1.62 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.267 1.827 . . . . 0.0 113.893 -170.096 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -128.94 109.14 10.99 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.758 1.223 . . . . 0.0 110.328 -168.353 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -73.9 113.48 11.11 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.666 -0.646 . . . . 0.0 111.211 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 21.7 mt -89.08 34.93 0.79 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.975 0.91 . . . . 0.0 112.347 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 19.9 m -53.31 150.98 5.72 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.446 1.498 . . . . 0.0 112.22 174.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -58.25 125.03 21.48 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.217 -0.927 . . . . 0.0 111.064 176.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.71 20.53 78.66 Favored Glycine 0 CA--C 1.54 1.621 0 CA-C-O 118.772 -1.016 . . . . 0.0 115.092 -177.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.55 117.26 2.33 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.047 1.423 . . . . 0.0 114.206 -175.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.38 -35.94 68.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.482 1.113 . . . . 0.0 113.037 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -63.2 -38.31 90.65 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 173.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 96.2 t -70.56 -42.79 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 CA-C-N 119.721 1.146 . . . . 0.0 110.797 176.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -60.86 -47.68 85.25 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.882 0.873 . . . . 0.0 111.483 175.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.95 -57.51 19.33 Favored Glycine 0 C--O 1.223 -0.589 0 C-N-CA 125.244 1.402 . . . . 0.0 111.897 173.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -52.33 -43.68 64.72 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.681 1.24 . . . . 0.0 112.278 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.4 -49.29 39.19 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 123.987 0.803 . . . . 0.0 114.102 170.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -55.85 -44.85 78.42 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.418 1.109 . . . . 0.0 111.916 172.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -62.9 -51.98 64.83 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.058 0.845 . . . . 0.0 111.652 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 94.9 t -53.18 -47.76 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.041 0.936 . . . . 0.0 110.691 175.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 63' ' ' ALA . . . . . 0.54 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -73.25 -34.5 65.89 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -176.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -65.47 -36.59 84.33 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.12 -0.988 . . . . 0.0 111.612 170.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.18 70.4 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.119 -0.988 . . . . 0.0 112.708 168.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.26 -45.68 90.35 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 120.67 -1.269 . . . . 0.0 111.239 166.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 53.3 m -55.51 -46.05 77.04 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.219 1.372 . . . . 0.0 112.524 169.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -27.73 66.13 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.977 -1.077 . . . . 0.0 112.805 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.67 -56.37 16.27 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 117.35 -1.309 . . . . 0.0 110.469 160.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 92.9 t -48.62 -39.29 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 CA-C-N 121.396 1.907 . . . . 0.0 112.693 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.57 -24.68 66.39 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 175.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -145.45 42.0 1.25 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.005 1.722 . . . . 0.0 112.957 -169.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 7.5 p -87.27 -45.75 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 O-C-N 120.099 -1.625 . . . . 0.0 115.024 -161.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -80.37 -8.3 59.45 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-N 120.719 1.6 . . . . 0.0 111.669 174.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -118.7 1.94 11.64 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.402 -1.436 . . . . 0.0 113.556 -171.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 1.6 mtt -26.16 87.52 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.183 0 C-N-CA 128.304 2.642 . . . . 0.0 115.594 -167.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -90.91 47.31 0.67 Allowed 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.521 2.814 . . . . 0.0 111.607 -165.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . 0.342 0.0 OUTLIER 74.58 16.07 3.24 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 126.921 2.088 . . . . 0.0 114.397 -164.061 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.97 -16.69 60.42 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 116.173 1.916 . . . . 0.0 116.173 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 64.1 mt -101.52 4.22 40.89 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.614 1.097 . . . . 0.0 112.49 170.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 35.9 t -59.45 -36.95 76.9 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.735 -1.228 . . . . 0.0 113.662 -174.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.67 -28.07 63.43 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.156 0.889 . . . . 0.0 112.674 172.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mt -85.13 -43.12 14.13 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.841 1.257 . . . . 0.0 110.385 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -55.64 -38.54 69.66 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.844 -0.598 . . . . 0.0 111.528 169.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -64.62 -48.0 76.5 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.031 1.333 . . . . 0.0 112.66 171.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.29 -45.38 72.5 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.464 1.029 . . . . 0.0 110.334 175.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -69.28 -62.18 1.49 Allowed 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 121.655 -0.653 . . . . 0.0 110.361 178.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.64 -28.36 65.61 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -173.389 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -109.1 3.89 22.46 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.236 1.014 . . . . 0.0 113.03 -174.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -142.2 -36.04 0.42 Allowed 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -176.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.85 -48.35 0.33 Allowed 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -173.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 33.4 ttt85 52.61 49.8 19.57 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 127.549 2.339 . . . . 0.0 114.974 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 93' ' ' VAL . . . . . 0.425 HG22 ' CD1' ' C' ' 42' ' ' TYR . 6.3 t -59.35 148.42 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 123.49 0.716 . . . . 0.0 112.143 175.414 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 94' ' ' ASP . . . . . 0.489 ' HB2' HG12 ' C' ' 96' ' ' VAL . 0.0 OUTLIER -64.18 139.61 97.73 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 123.927 0.891 . . . . 0.0 111.591 175.463 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -52.17 -13.04 1.73 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 124.108 3.205 . . . . 0.0 115.547 170.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 96' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' C' ' 94' ' ' ASP . 9.2 p -51.35 -45.5 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 120.722 1.601 . . . . 0.0 111.962 168.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -58.97 -38.01 78.11 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.382 -0.824 . . . . 0.0 111.004 174.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 98' ' ' PHE . . . . . 0.453 ' CG ' ' HB3' ' C' ' 133' ' ' SER . 12.3 t80 -60.15 -51.25 70.42 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.826 173.137 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -57.24 -32.26 66.37 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 119.385 0.993 . . . . 0.0 112.152 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 56.9 mt -70.98 -57.36 4.63 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.216 1.006 . . . . 0.0 109.864 175.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 tp -51.2 -44.51 61.61 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.632 1.573 . . . . 0.0 112.729 176.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 88.4 p -66.1 -44.7 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.377 -0.827 . . . . 0.0 112.769 -178.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -38.87 88.88 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.691 -0.63 . . . . 0.0 111.181 170.46 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 104' ' ' CYS . . . . . 0.428 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 76.3 m -64.28 -38.65 91.79 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.599 -0.688 . . . . 0.0 111.2 179.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 49.2 mt -63.16 -50.37 70.65 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 124.248 1.019 . . . . 0.0 111.551 172.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 10.4 mt -49.07 -47.45 44.98 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.476 1.034 . . . . 0.0 110.754 173.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.31 -48.35 67.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 123.412 0.685 . . . . 0.0 112.515 173.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -38.57 88.04 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.222 1.374 . . . . 0.0 112.384 177.315 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mt -59.29 -44.02 92.53 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.873 0.761 . . . . 0.0 109.904 176.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.76 -35.65 68.88 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.52 -0.737 . . . . 0.0 112.889 175.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.3 -7.05 11.49 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -137.82 -31.04 0.8 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -173.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 9.4 mp -76.2 170.45 15.96 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 124.808 1.243 . . . . 0.0 109.926 168.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -75.08 -128.55 0.01 OUTLIER 'Trans proline' 0 CA--C 1.545 1.038 0 C-N-CA 122.698 2.266 . . . . 0.0 108.908 164.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.47 61.06 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.274 1.43 . . . . 0.0 113.825 172.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -17.32 1.22 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 119.471 -2.018 . . . . 0.0 114.608 175.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 117' ' ' PHE . . . . . 0.402 ' CE2' ' HA ' ' D' ' 113' ' ' VAL . 0.2 OUTLIER -97.17 28.59 3.53 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.176 2.19 . . . . 0.0 112.852 179.404 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.58 170.76 1.24 Allowed Pre-proline 0 N--CA 1.496 1.869 0 O-C-N 119.103 -2.248 . . . . 0.0 111.145 168.407 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -56.84 -50.78 10.58 Favored 'Trans proline' 0 C--N 1.347 0.477 0 CA-C-N 122.635 1.977 . . . . 0.0 111.644 167.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.45 77.94 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 4.8 t -96.91 -37.97 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 119.6 1.091 . . . . 0.0 112.783 -176.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -69.75 -49.43 53.2 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.49 1.495 . . . . 0.0 111.461 176.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.14 -50.56 73.06 Favored 'General case' 0 C--N 1.345 0.403 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 10.2 t -48.68 -60.95 2.31 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 118.157 -0.925 . . . . 0.0 112.845 174.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 82.0 mt -65.9 -41.44 91.46 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.786 1.175 . . . . 0.0 112.269 -173.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.97 -50.31 72.61 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.473 1.033 . . . . 0.0 111.963 176.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 127' ' ' LYS . . . . . 0.437 ' HE3' ' OD2' ' C' ' 6' ' ' ASP . 0.0 OUTLIER -71.61 -31.32 66.78 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 178.82 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -60.36 -56.81 16.94 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.744 1.217 . . . . 0.0 109.879 171.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.36 -37.61 81.25 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.702 177.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.44 -38.2 74.04 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 120.58 1.536 . . . . 0.0 114.164 170.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 16.3 m -70.89 -37.14 72.99 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.261 -1.524 . . . . 0.0 112.804 170.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 95.2 t -57.41 -49.4 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 117.116 -1.421 . . . . 0.0 109.578 171.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 133' ' ' SER . . . . . 0.453 ' HB3' ' CG ' ' C' ' 98' ' ' PHE . 1.4 p -60.27 -43.81 95.86 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 121.04 1.745 . . . . 0.0 113.329 174.413 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 43.2 m -50.72 -48.62 58.83 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.922 1.237 . . . . 0.0 110.917 174.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 63.6 t -78.86 -26.4 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -177.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -3.24 30.37 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 120.342 -1.474 . . . . 0.0 113.279 168.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 82.4 m -123.43 -17.69 6.44 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.366 1.466 . . . . 0.0 112.498 -176.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 35.4 p . . . . . 0 CA--C 1.545 0.76 0 O-C-N 120.828 -1.17 . . . . 0.0 112.648 173.578 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 1' ' ' VAL . . . . . 0.429 HG11 HD22 ' D' ' 78' ' ' LEU 0.308 1.4 p . . . . . 0 N--CA 1.515 2.79 0 CA-C-O 117.618 -1.182 . . . . 0.0 112.723 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 36.02 67.31 0.31 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 127.033 2.133 . . . . 0.0 114.66 172.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.23 162.39 4.6 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.375 0.67 . . . . 0.0 112.496 -173.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.87 151.22 85.8 Favored Pre-proline 0 N--CA 1.481 1.077 0 CA-C-O 118.545 -0.741 . . . . 0.0 109.582 166.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -52.77 -35.68 70.23 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.729 2.286 . . . . 0.0 114.537 172.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -73.4 -42.54 61.97 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.584 -0.698 . . . . 0.0 112.378 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -63.49 -44.92 92.98 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.431 -0.793 . . . . 0.0 111.541 173.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.78 -51.38 67.62 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.314 1.046 . . . . 0.0 110.665 172.36 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 40.5 t -51.62 -48.28 63.35 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.582 0.628 . . . . 0.0 111.061 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.26 -56.99 14.88 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 4.0 p -62.86 -49.23 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 120.032 1.287 . . . . 0.0 111.616 -178.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -75.27 -33.28 61.25 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.872 0.76 . . . . 0.0 112.56 -171.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.96 -35.72 78.86 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 120.457 1.48 . . . . 0.0 111.704 172.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -36.37 77.35 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.435 -0.791 . . . . 0.0 111.427 172.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -58.53 -42.81 88.62 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.934 0.894 . . . . 0.0 112.082 167.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.17 -31.71 59.38 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.519 1.533 . . . . 0.0 115.485 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -94.61 -12.55 27.24 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 118.436 1.118 . . . . 0.0 113.503 174.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.34 137.54 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 124.172 0.989 . . . . 0.0 111.889 -168.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -85.11 83.72 7.94 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 175.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 42.5 t -53.69 -33.59 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 O-C-N 120.803 -1.185 . . . . 0.0 113.304 -169.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -38.79 92.25 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.707 1.603 . . . . 0.0 112.772 174.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -107.22 -40.26 5.46 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.329 0.652 . . . . 0.0 111.576 -166.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.24 -33.54 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 119.332 0.969 . . . . 0.0 110.723 162.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.16 -48.01 7.17 Favored Glycine 0 C--N 1.343 0.959 0 O-C-N 121.513 -0.742 . . . . 0.0 111.292 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.02 -43.35 95.09 Favored Glycine 0 C--N 1.338 0.669 0 CA-C-N 117.758 0.779 . . . . 0.0 112.564 171.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 26' ' ' GLU . . . . . 0.566 ' HB2' HH11 ' D' ' 30' ' ' ARG . 4.3 pt-20 -71.76 -43.64 65.41 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-O 116.743 -1.598 . . . . 0.0 112.1 175.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.97 96.14 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 122.588 2.449 . . . . 0.0 112.084 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 31.3 tp -68.17 -45.36 73.68 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.81 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.15 -44.41 93.16 Favored Glycine 0 N--CA 1.466 0.672 0 O-C-N 120.87 -1.143 . . . . 0.0 111.593 171.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 30' ' ' ARG . . . . . 0.566 HH11 ' HB2' ' D' ' 26' ' ' GLU . 0.6 OUTLIER -63.23 -21.8 66.46 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 116.793 -1.575 . . . . 0.0 113.991 177.139 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.64 -55.27 18.4 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 120.882 1.674 . . . . 0.0 110.475 160.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.86 -31.76 72.58 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.494 -0.754 . . . . 0.0 111.993 -172.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 33' ' ' VAL . . . . . 0.518 HG22 ' HA ' ' D' ' 30' ' ' ARG . 12.2 m -68.27 -20.07 25.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 178.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 t -63.36 -4.1 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 CA-C-N 120.761 1.618 . . . . 0.0 112.095 176.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 45.57 45.4 2.31 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 126.187 1.795 . . . . 0.0 111.729 -161.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -76.17 167.5 25.8 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 N-CA-C 109.192 -1.119 . . . . 0.0 109.192 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -51.83 -23.06 4.25 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 168.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 3.2 p -57.56 -23.64 51.74 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 120.723 -1.236 . . . . 0.0 112.538 171.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -55.54 -19.23 9.28 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.796 1.238 . . . . 0.0 113.348 174.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 40' ' ' ARG . . . . . 0.417 ' HD3' ' CD2' ' D' ' 41' ' ' PHE . 0.0 OUTLIER -51.18 -39.99 57.64 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 121.268 1.849 . . . . 0.0 112.742 167.53 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 41' ' ' PHE . . . . . 0.417 ' CD2' ' HD3' ' D' ' 40' ' ' ARG . 67.3 m-85 -88.95 6.56 38.9 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.436 1.095 . . . . 0.0 113.472 -178.345 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.14 -27.04 5.16 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 176.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -50.61 -18.17 0.64 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.618 2.767 . . . . 0.0 116.367 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 30.7 p -109.24 -3.03 17.53 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.756 1.623 . . . . 0.0 114.161 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -96.76 -17.17 20.45 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -171.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.16 150.78 0.57 Allowed Glycine 0 CA--C 1.537 1.429 0 CA-C-N 119.329 0.968 . . . . 0.0 114.611 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 12.7 t0 37.51 -82.62 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 128.963 2.905 . . . . 0.0 115.834 -173.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 42.81 -12.25 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.251 1 C-N-CA 132.513 4.325 . . . . 0.0 121.588 176.398 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 21.9 t -57.99 -17.29 16.34 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.21 1.804 . . . . 0.0 114.635 -171.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 50' ' ' THR . . . . . 0.4 ' HB ' ' HD2' ' D' ' 51' ' ' PRO . 2.1 p -136.86 166.25 28.78 Favored Pre-proline 0 N--CA 1.471 0.611 0 C-N-CA 126.742 2.017 . . . . 0.0 109.82 -176.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 51' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' D' ' 50' ' ' THR . 9.8 Cg_endo -59.51 -53.53 3.32 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 121.693 1.596 . . . . 0.0 112.37 174.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.49 -35.91 72.95 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.135 0.974 . . . . 0.0 111.769 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.78 -60.04 4.25 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.296 0.638 . . . . 0.0 111.635 170.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 1.5 p -65.43 -35.27 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 120.552 -1.342 . . . . 0.0 113.53 -171.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 5.9 mtt -77.13 -30.61 55.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.555 0.742 . . . . 0.0 112.867 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.61 -24.13 24.35 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.928 0.775 . . . . 0.0 114.277 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -62.16 125.86 86.38 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 124.647 1.179 . . . . 0.0 112.769 -174.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.12 -38.27 37.46 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.16 2.574 . . . . 0.0 113.891 -170.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -61.55 -40.23 93.97 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.216 -0.927 . . . . 0.0 112.394 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 99.5 t -63.36 -38.05 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.658 0.783 . . . . 0.0 110.912 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -67.94 -47.79 67.71 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 120.14 1.336 . . . . 0.0 111.901 175.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.71 76.52 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.032 0.933 . . . . 0.0 113.326 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -36.58 80.61 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.796 -1.19 . . . . 0.0 111.055 171.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.06 -48.01 64.64 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 126.179 1.847 . . . . 0.0 113.167 169.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -60.66 -34.44 74.31 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 118.461 -0.78 . . . . 0.0 112.638 171.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -68.99 -50.32 50.01 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.375 0.989 . . . . 0.0 113.079 176.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -52.61 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 120.112 1.324 . . . . 0.0 111.118 174.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 tt -72.5 -32.31 66.07 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -177.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.59 -35.89 75.45 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.082 1.325 . . . . 0.0 112.82 170.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.53 -47.21 86.6 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.708 1.254 . . . . 0.0 111.173 166.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 71' ' ' PHE . . . . . 0.429 ' CE1' HG11 ' D' ' 137' ' ' VAL . 2.0 m-30 -58.98 -34.73 72.16 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 120.459 -1.401 . . . . 0.0 111.645 177.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.77 -44.36 77.66 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.527 1.131 . . . . 0.0 113.593 171.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -34.0 68.4 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.682 0.793 . . . . 0.0 111.456 170.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.25 -63.93 4.6 Favored Glycine 0 C--N 1.338 0.684 0 CA-C-O 118.976 -0.902 . . . . 0.0 111.671 167.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 5.8 mt -51.78 -31.72 28.13 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.018 1.409 . . . . 0.0 114.085 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.22 -25.69 51.92 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.773 1.629 . . . . 0.0 115.13 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -145.94 44.81 1.26 Allowed 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.798 1.639 . . . . 0.0 112.632 -170.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 78' ' ' LEU . . . . . 0.45 HD23 HD21 ' D' ' 81' ' ' LEU . 32.4 mt -57.43 -18.08 16.32 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -178.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -50.47 -40.01 49.64 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.517 1.527 . . . . 0.0 113.791 170.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.0 96.15 2.29 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.032 0.933 . . . . 0.0 112.053 -175.42 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 81' ' ' LEU . . . . . 0.45 HD21 HD23 ' D' ' 78' ' ' LEU . 28.8 mt -81.27 -45.75 15.79 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -57.0 -23.82 49.03 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 173.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.46 -7.82 64.76 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.504 1.526 . . . . 0.0 115.023 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.65 -19.16 12.59 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 118.937 1.368 . . . . 0.0 112.81 175.494 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 85' ' ' PHE . . . . . 0.534 ' CE2' HG23 ' D' ' 137' ' ' VAL . 18.6 m-85 -108.44 5.36 25.25 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 177.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.05 -39.45 56.01 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 121.092 1.769 . . . . 0.0 114.97 -173.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 10.1 p -64.69 -35.97 82.77 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.389 1.076 . . . . 0.0 112.981 172.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.88 -41.67 71.03 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 124.533 1.133 . . . . 0.0 110.601 172.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -57.18 -42.23 80.8 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.711 1.141 . . . . 0.0 110.947 172.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -65.91 -44.72 84.39 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.285 -0.884 . . . . 0.0 112.635 172.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 51.3 tp -62.3 -50.76 70.4 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 120.584 -1.322 . . . . 0.0 112.08 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 56.4 m80 -78.99 -8.4 58.88 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -176.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 93' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' D' ' 97' ' ' HIS . 11.3 t -119.45 -66.04 1.11 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.835 0.743 . . . . 0.0 112.744 176.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.3 -36.08 82.93 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.544 -1.348 . . . . 0.0 114.064 -177.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -94.39 -69.23 0.76 Allowed 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 65.2 mt -77.84 -32.92 52.39 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.335 1.054 . . . . 0.0 112.171 -175.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 97' ' ' HIS . . . . . 0.417 ' HA ' ' HA ' ' D' ' 93' ' ' CYS . 0.1 OUTLIER 52.31 21.57 1.73 Allowed 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -176.416 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -45.8 127.9 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.94 1.296 . . . . 0.0 111.137 174.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -68.22 132.58 91.66 Favored Pre-proline 0 CA--C 1.548 0.892 0 CA-C-O 118.705 -0.664 . . . . 0.0 111.918 -173.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -48.11 -24.71 5.84 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 124.951 3.767 . . . . 0.0 118.42 -174.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -51.36 -35.52 38.88 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.934 1.243 . . . . 0.0 112.11 171.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -66.6 -35.23 79.68 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.471 1.508 . . . . 0.0 111.277 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -65.29 -46.55 79.96 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.708 0.803 . . . . 0.0 110.814 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 41.0 mtt85 -62.79 -43.69 98.14 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.715 -0.615 . . . . 0.0 111.75 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 19.5 mt -55.1 -49.77 70.88 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.242 172.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.4 -34.0 70.26 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.378 0.671 . . . . 0.0 112.641 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 107' ' ' GLY . . . . . 0.405 ' HA3' HG11 ' D' ' 134' ' ' VAL . . . -68.2 -51.55 32.4 Favored Glycine 0 N--CA 1.466 0.686 0 O-C-N 121.309 -0.869 . . . . 0.0 113.864 169.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -63.88 -33.7 76.3 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 122.069 -0.666 . . . . 0.0 112.661 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 15.8 m -68.03 -42.03 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 117.776 -1.107 . . . . 0.0 112.481 169.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 42.2 tp -59.91 -49.13 78.88 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 121.214 1.825 . . . . 0.0 111.329 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 33.6 m -59.01 -34.86 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 118.629 0.649 . . . . 0.0 111.917 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 8.0 t -64.41 -41.06 96.84 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.648 0.658 . . . . 0.0 112.762 171.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 113' ' ' VAL . . . . . 0.402 ' HA ' ' CE2' ' C' ' 117' ' ' PHE 0.265 1.5 m -72.46 -38.36 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 120.271 1.396 . . . . 0.0 112.977 -179.608 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 21.6 mt -56.0 -42.91 77.13 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.386 0.674 . . . . 0.0 110.576 170.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.31 -22.43 64.88 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -76.52 -63.68 1.28 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 121.406 1.912 . . . . 0.0 111.359 168.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -63.31 -23.42 67.41 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.951 0.722 . . . . 0.0 112.951 -168.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -125.71 18.79 7.98 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.117 1.367 . . . . 0.0 112.76 -175.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -47.91 -40.83 20.09 Favored Glycine 0 N--CA 1.48 1.592 0 C-N-CA 125.326 1.441 . . . . 0.0 116.378 -172.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -59.19 -16.88 22.99 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 126.0 1.72 . . . . 0.0 114.834 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -134.17 13.35 3.89 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.371 2.268 . . . . 0.0 111.929 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -95.43 59.42 2.16 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.688 1.195 . . . . 0.0 112.163 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 52.6 p -54.93 157.02 6.1 Favored Pre-proline 0 N--CA 1.478 0.966 0 C-N-CA 125.653 1.581 . . . . 0.0 113.393 -172.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -48.35 -46.95 21.47 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 121.882 1.721 . . . . 0.0 114.903 173.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -59.72 -31.24 93.85 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 122.07 1.847 . . . . 0.0 114.863 172.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.36 -40.54 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 121.212 1.824 . . . . 0.0 112.779 -178.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -58.01 -51.62 68.89 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.98 87.89 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.531 0.733 . . . . 0.0 112.668 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -56.65 -54.24 48.43 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.96 1.304 . . . . 0.0 111.57 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -53.17 -50.67 64.13 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.699 0.681 . . . . 0.0 112.154 170.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -36.52 72.89 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.797 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -69.77 -38.26 76.66 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.714 1.143 . . . . 0.0 112.924 176.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 22.4 t -59.81 -47.34 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-N 119.664 1.12 . . . . 0.0 110.493 167.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 134' ' ' VAL . . . . . 0.405 HG11 ' HA3' ' D' ' 107' ' ' GLY . 65.2 t -78.67 -26.21 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 121.943 -0.473 . . . . 0.0 112.08 -171.238 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.81 97.5 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 120.143 -1.598 . . . . 0.0 110.596 167.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.7 -47.39 90.51 Favored Glycine 0 CA--C 1.532 1.099 0 CA-C-O 118.98 -0.9 . . . . 0.0 112.956 169.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 137' ' ' VAL . . . . . 0.534 HG23 ' CE2' ' D' ' 85' ' ' PHE . 0.4 OUTLIER -57.08 -45.94 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 119.232 1.516 . . . . 0.0 111.867 174.659 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.44 -43.67 89.71 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 118.707 0.685 . . . . 0.0 111.413 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.3 -39.3 86.48 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.7 0.8 . . . . 0.0 112.754 172.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.55 -42.49 78.32 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.74 -0.6 . . . . 0.0 112.44 175.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 7.0 mt -62.0 -41.24 97.84 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.311 1.414 . . . . 0.0 111.549 172.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.49 -11.51 11.12 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.691 1.196 . . . . 0.0 114.117 171.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -53.6 -35.37 60.79 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 121.403 1.91 . . . . 0.0 114.153 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -76.34 -7.08 54.21 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.83 -21.81 5.47 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 126.546 1.939 . . . . 0.0 113.664 -176.177 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 . . . . . 0 C--O 1.256 1.43 0 C-N-CA 129.042 2.937 . . . . 0.0 114.778 -174.115 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.277 9.2 p . . . . . 0 N--CA 1.511 2.616 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 47.4 mt -111.02 176.03 5.18 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 120.443 1.474 . . . . 0.0 111.926 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -94.24 163.49 23.12 Favored Pre-proline 0 N--CA 1.479 0.977 0 C-N-CA 125.366 1.466 . . . . 0.0 110.708 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -74.89 -43.0 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 121.943 1.762 . . . . 0.0 113.02 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.11 -45.83 72.61 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.763 -0.586 . . . . 0.0 111.972 -175.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -66.21 -32.96 74.7 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 118.449 -0.786 . . . . 0.0 111.668 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -52.93 -53.09 54.59 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.375 0.989 . . . . 0.0 111.633 170.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.3 m -58.09 -40.6 81.53 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.603 0.761 . . . . 0.0 111.332 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -68.15 -34.55 76.54 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 177.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.77 -50.37 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.411 1.005 . . . . 0.0 110.435 167.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -56.61 -47.12 80.32 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 118.973 0.806 . . . . 0.0 111.615 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.55 -48.11 81.97 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.245 1.018 . . . . 0.0 112.064 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.1 -51.99 61.37 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 175.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 17.6 t-105 -64.9 -25.91 68.09 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.137 -0.977 . . . . 0.0 113.29 -177.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.36 -42.21 93.54 Favored Glycine 0 CA--C 1.538 1.518 0 O-C-N 121.175 -0.953 . . . . 0.0 113.21 166.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -69.16 -31.52 70.23 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.121 0.96 . . . . 0.0 112.223 174.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 21' ' ' ALA . 86.0 t -68.93 -14.19 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 125.556 1.542 . . . . 0.0 113.397 176.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.52 134.95 4.13 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 124.907 1.241 . . . . 0.0 114.816 176.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 59.62 -32.16 0.05 Allowed 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 128.665 2.786 . . . . 0.0 116.961 -171.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -78.66 -11.08 59.96 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.757 1.223 . . . . 0.0 114.013 173.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -49.84 -48.87 50.79 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.798 1.239 . . . . 0.0 113.504 -175.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.19 -38.16 91.79 Favored Glycine 0 N--CA 1.472 1.044 0 O-C-N 121.785 -0.572 . . . . 0.0 113.901 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -58.82 -45.61 89.57 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.528 1.131 . . . . 0.0 111.202 171.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -64.99 -39.08 92.93 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.361 -0.837 . . . . 0.0 112.682 174.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.63 -47.61 90.08 Favored Glycine 0 CA--C 1.534 1.242 0 CA-C-N 119.049 0.841 . . . . 0.0 112.716 172.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.61 -47.24 87.09 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.87 0.868 . . . . 0.0 111.615 176.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -59.07 -40.45 85.25 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 121.51 -0.744 . . . . 0.0 112.846 171.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.24 93.69 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.596 1.089 . . . . 0.0 112.136 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.9 mt -63.06 -50.49 70.41 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.256 1.023 . . . . 0.0 111.697 172.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.55 -49.02 79.22 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.53 0.732 . . . . 0.0 112.644 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.8 ttm105 -60.39 -41.16 93.26 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.949 1.3 . . . . 0.0 111.287 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 39.2 ttp -60.2 -49.14 78.79 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.351 0.978 . . . . 0.0 112.917 170.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.78 -38.96 76.36 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.974 -0.454 . . . . 0.0 112.144 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.7 mt -75.5 -41.56 54.97 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.715 0.806 . . . . 0.0 112.683 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.0 p -75.14 -22.72 57.96 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -174.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -139.41 73.39 36.43 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.899 1.28 . . . . 0.0 109.914 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -48.9 -27.72 12.01 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 124.84 3.693 . . . . 0.0 115.441 -174.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -35.48 -45.88 0.36 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 128.038 2.535 . . . . 0.0 113.445 166.11 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.3 p -60.05 -27.37 66.88 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.477 1.511 . . . . 0.0 114.866 -177.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -60.22 -24.51 64.89 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.315 0.962 . . . . 0.0 113.239 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -57.62 -28.18 63.44 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -65.56 -21.88 66.64 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.454 -0.779 . . . . 0.0 112.981 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 t80 33.26 57.09 1.53 Allowed Pre-proline 0 CA--C 1.558 1.262 0 C-N-CA 127.938 2.495 . . . . 0.0 114.147 175.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -81.04 51.56 3.99 Favored 'Trans proline' 0 CA--C 1.549 1.229 0 C-N-CA 124.797 3.664 . . . . 0.0 113.718 -157.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.265 31.2 p80 46.38 31.56 1.31 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 127.107 2.163 . . . . 0.0 114.729 -169.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -90.55 152.39 20.93 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.671 1.188 . . . . 0.0 111.04 168.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -121.08 109.44 15.04 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.149 1.38 . . . . 0.0 108.63 168.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.6 mt -76.96 31.27 0.13 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.1 1.36 . . . . 0.0 112.975 -176.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.8 t -62.38 152.9 32.79 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.302 1.441 . . . . 0.0 112.015 177.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -56.57 116.48 3.14 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.736 0.814 . . . . 0.0 111.421 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.69 12.74 79.53 Favored Glycine 0 CA--C 1.539 1.559 0 CA-C-O 118.83 -0.983 . . . . 0.0 115.397 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.4 t -51.61 116.45 2.11 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.113 1.456 . . . . 0.0 114.071 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.44 -27.04 68.27 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.11 -45.09 87.83 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.934 0.788 . . . . 0.0 111.833 174.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.81 -42.45 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.668 0.787 . . . . 0.0 111.254 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.73 -47.88 81.66 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.178 0.591 . . . . 0.0 111.743 175.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.86 -50.88 59.95 Favored Glycine 0 N--CA 1.468 0.768 0 C-N-CA 124.764 1.173 . . . . 0.0 112.409 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -59.39 -39.49 83.54 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.445 1.122 . . . . 0.0 112.054 174.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.33 -51.81 48.65 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 121.293 -0.879 . . . . 0.0 113.306 168.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -57.3 -41.76 80.46 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.401 1.08 . . . . 0.0 113.013 172.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -63.0 -51.94 64.9 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.948 1.249 . . . . 0.0 112.469 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 77.0 t -56.02 -44.58 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-N 119.361 0.982 . . . . 0.0 110.923 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -64.59 -46.14 83.98 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 177.067 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.88 -36.05 83.09 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.163 -0.961 . . . . 0.0 111.875 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.17 -37.92 89.11 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 169.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.97 -42.56 97.22 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 118.958 0.799 . . . . 0.0 112.069 168.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 57.1 m -58.68 -45.59 89.1 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.515 1.507 . . . . 0.0 111.788 172.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -57.96 -42.35 84.8 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.771 1.228 . . . . 0.0 112.497 172.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.93 -53.73 55.08 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.612 0.642 . . . . 0.0 111.328 171.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.9 t -56.7 -39.98 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.174 0.99 . . . . 0.0 111.993 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.06 -18.45 65.35 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -138.93 25.07 2.55 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.053 1.341 . . . . 0.0 112.313 -173.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.3 p -63.15 -23.42 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 -151.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.75 -4.38 57.7 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 174.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -124.02 2.32 8.65 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.769 2.428 . . . . 0.0 112.544 176.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.1 ptt? -54.67 -22.94 0.82 Allowed Pre-proline 0 CA--C 1.542 0.658 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 175.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -46.52 -23.38 2.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 123.236 2.624 . . . . 0.0 116.276 163.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -103.41 -42.43 5.71 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.611 1.096 . . . . 0.0 112.48 167.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.54 -11.05 21.23 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 88.1 mt -109.35 7.77 25.23 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.042 1.337 . . . . 0.0 113.537 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 94.9 p -56.03 -33.61 65.09 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -175.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.79 -17.54 49.95 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 174.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.2 mt -106.13 -39.44 5.96 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.233 1.013 . . . . 0.0 111.357 -169.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.8 p -55.82 -43.61 77.12 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.936 -0.554 . . . . 0.0 110.283 157.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -56.98 -52.77 63.93 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 171.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.1 pp -60.94 -37.29 81.82 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.987 1.267 . . . . 0.0 112.832 -175.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -72.37 -47.33 50.27 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.592 1.087 . . . . 0.0 111.264 173.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.2 70.43 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -116.02 12.3 15.61 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -173.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -145.17 -28.71 0.46 Allowed 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 116.747 2.129 . . . . 0.0 116.747 176.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 70.0 mt -139.49 -25.88 0.83 Allowed 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 117.061 2.245 . . . . 0.0 117.061 -166.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 27.71 42.78 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 130.392 3.477 . . . . 0.0 117.431 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 76.4 t -69.56 138.89 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 O-C-N 120.948 -1.095 . . . . 0.0 110.522 173.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.85 161.26 78.81 Favored Pre-proline 0 CA--C 1.556 1.208 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.34 -14.67 4.71 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 124.514 3.476 . . . . 0.0 118.761 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.2 p -55.45 -38.5 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 122.079 2.218 . . . . 0.0 112.415 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -65.34 -29.97 70.77 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.418 ' CD1' ' HB3' ' A' ' 133' ' ' SER . 0.0 OUTLIER -59.42 -57.51 12.65 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.828 1.195 . . . . 0.0 109.126 168.525 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -54.2 -48.92 70.46 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.139 0.576 . . . . 0.0 109.971 -172.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 56.9 mt -56.95 -61.11 2.67 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.36 1.064 . . . . 0.0 111.81 175.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -35.68 81.18 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.602 1.092 . . . . 0.0 111.625 -174.159 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.1 m -65.39 -44.16 88.38 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.818 1.19 . . . . 0.0 113.165 174.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -57.78 -46.8 84.06 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.252 -0.905 . . . . 0.0 110.564 170.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 99.3 m -63.68 -33.77 76.37 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 178.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.3 mt -64.88 -54.17 35.13 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 124.589 1.156 . . . . 0.0 111.067 171.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.4 mt -51.66 -44.02 62.89 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.602 0.761 . . . . 0.0 110.781 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.9 t -53.94 -48.09 63.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.53 1.132 . . . . 0.0 112.639 171.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -40.14 95.6 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.557 1.526 . . . . 0.0 113.457 171.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.8 mt -63.99 -43.98 94.03 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.098 0.863 . . . . 0.0 110.073 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.16 -34.79 46.49 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.175 0.99 . . . . 0.0 113.519 171.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.19 -9.84 59.67 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 -174.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -132.98 -31.13 1.31 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -175.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -72.46 171.47 9.77 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 118.855 0.752 . . . . 0.0 109.808 166.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.43 -158.47 0.01 OUTLIER 'Trans proline' 0 CA--C 1.546 1.091 0 C-N-CA 124.153 3.235 . . . . 0.0 113.241 156.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.7 52.57 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.02 1.728 . . . . 0.0 114.511 173.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -6.29 0.11 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.762 2.425 . . . . 0.0 115.643 -178.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -79.77 14.5 1.7 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.565 1.546 . . . . 0.0 113.871 168.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.5 p -54.16 155.87 6.18 Favored Pre-proline 0 N--CA 1.472 0.664 0 CA-C-N 119.383 0.992 . . . . 0.0 111.189 174.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -52.37 -31.56 47.98 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.478 2.119 . . . . 0.0 115.055 168.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.27 -33.33 65.19 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 175.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.1 t -110.7 -29.03 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 O-C-N 121.081 -1.012 . . . . 0.0 112.746 -166.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.37 -53.09 21.2 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 120.501 -1.374 . . . . 0.0 112.603 177.111 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.88 91.2 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 118.587 0.63 . . . . 0.0 110.539 172.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.6 t -49.2 -61.59 2.0 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.937 0.895 . . . . 0.0 111.943 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.05 -40.69 87.16 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.752 0.705 . . . . 0.0 112.717 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.66 -52.96 54.58 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.644 1.111 . . . . 0.0 111.984 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER -69.29 -25.42 64.24 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.319 0.648 . . . . 0.0 112.006 178.499 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -64.75 -54.87 24.67 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.912 1.233 . . . . 0.0 112.222 165.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.95 -37.47 82.48 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.894 1.224 . . . . 0.0 112.324 177.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.39 90.94 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 170.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.8 t -63.54 -42.01 98.42 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 120.384 -1.447 . . . . 0.0 112.318 170.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 66.8 t -58.73 -48.98 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 O-C-N 120.984 -1.073 . . . . 0.0 111.183 174.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.418 ' HB3' ' CD1' ' A' ' 98' ' ' PHE . 84.3 p -69.06 -40.62 78.41 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.338 0.972 . . . . 0.0 113.108 177.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.9 m -47.77 -51.15 23.42 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.001 1.32 . . . . 0.0 110.339 167.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 26.8 t -62.78 -44.76 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 O-C-N 121.438 -0.789 . . . . 0.0 111.586 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -13.64 23.79 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 176.043 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 2.5 t -115.59 -5.01 12.19 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.928 1.291 . . . . 0.0 113.051 175.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 68.7 m . . . . . 0 CA--C 1.547 0.865 0 O-C-N 120.662 -1.274 . . . . 0.0 110.971 149.674 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.339 2.6 p . . . . . 0 N--CA 1.513 2.709 0 CA-C-O 116.83 -1.557 . . . . 0.0 112.713 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 7.7 p80 24.7 71.51 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 127.581 2.352 . . . . 0.0 115.969 176.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.24 156.3 15.74 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.706 0.802 . . . . 0.0 111.64 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.6 p -68.12 160.88 72.46 Favored Pre-proline 0 N--CA 1.479 1.014 0 O-C-N 121.724 -0.61 . . . . 0.0 110.542 163.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.52 -40.24 84.54 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 122.571 2.181 . . . . 0.0 113.673 172.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.66 -40.76 72.81 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.273 0.629 . . . . 0.0 112.196 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -60.66 -51.3 69.98 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.675 -0.64 . . . . 0.0 111.01 172.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -57.34 -44.37 84.21 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 118.055 -0.974 . . . . 0.0 111.604 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.5 t -55.85 -49.97 71.87 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.651 0.659 . . . . 0.0 111.078 175.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.0 -51.11 71.48 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.446 HG23 ' CE1' ' B' ' 130' ' ' TYR . 2.8 p -66.37 -50.4 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 119.47 1.032 . . . . 0.0 112.108 177.269 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 27.1 m -67.92 -37.99 82.36 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 121.418 -0.801 . . . . 0.0 111.426 -170.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.71 94.24 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.255 0.934 . . . . 0.0 112.582 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.25 -40.68 77.73 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.695 -0.628 . . . . 0.0 111.055 175.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -37.38 72.32 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.794 -1.191 . . . . 0.0 112.924 168.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.53 -30.04 70.92 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.797 1.189 . . . . 0.0 114.994 175.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -100.51 -10.54 20.96 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 176.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.47 141.16 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 124.213 1.005 . . . . 0.0 112.424 -176.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -88.87 79.41 7.37 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.049 0.94 . . . . 0.0 109.772 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 89.1 t -48.1 -45.13 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 125.129 1.372 . . . . 0.0 114.616 -166.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.45 -54.62 43.38 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.903 0.881 . . . . 0.0 112.349 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -68.6 -54.91 13.57 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.521 0.728 . . . . 0.0 111.311 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.02 -33.42 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 O-C-N 121.514 -0.741 . . . . 0.0 112.696 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.0 -43.04 50.28 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.566 -0.574 . . . . 0.0 111.811 175.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.78 -45.83 94.91 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-N 118.05 0.925 . . . . 0.0 112.465 173.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -44.9 91.68 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 117.936 0.868 . . . . 0.0 111.028 172.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.22 -51.01 70.75 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 120.144 1.338 . . . . 0.0 112.709 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 tp -68.43 -35.72 78.03 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.569 -0.707 . . . . 0.0 111.825 -178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.25 -54.69 32.63 Favored Glycine 0 C--N 1.338 0.668 0 CA-C-N 119.391 0.996 . . . . 0.0 111.493 170.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.552 ' CD ' HG22 ' B' ' 113' ' ' VAL . 5.0 mtt-85 -45.42 -41.39 9.22 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 125.167 1.387 . . . . 0.0 113.648 175.136 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 31.7 tp -49.17 -52.76 24.61 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 124.022 0.826 . . . . 0.0 110.797 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.433 HD22 ' H ' ' B' ' 32' ' ' LEU . 0.6 OUTLIER -72.55 -32.73 66.3 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.278 179.824 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' B' ' 30' ' ' ARG . 0.8 OUTLIER -69.05 -9.1 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 178.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.44 -7.6 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-N 119.613 1.097 . . . . 0.0 112.997 166.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 10.3 t80 51.44 49.75 7.57 Favored Pre-proline 0 CA--C 1.561 1.379 0 O-C-N 120.466 -1.396 . . . . 0.0 113.915 -165.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -84.64 164.88 12.21 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.85 2.367 . . . . 0.0 113.182 -177.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -58.4 -30.24 66.69 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 165.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 64.6 p -56.6 -27.34 57.92 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 120.99 -1.069 . . . . 0.0 113.25 176.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -7.22 20.35 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 178.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -54.15 -24.74 19.12 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 121.463 1.938 . . . . 0.0 114.564 175.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -93.68 4.46 53.9 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 176.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.08 -18.84 1.59 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.83 -30.3 63.63 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.584 1.154 . . . . 0.0 113.629 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 80.8 p -79.69 -12.55 59.8 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -82.95 -15.4 51.44 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 120.992 -1.068 . . . . 0.0 111.873 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.82 25.63 74.11 Favored Glycine 0 N--CA 1.477 1.37 0 C-N-CA 125.397 1.475 . . . . 0.0 116.385 161.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -155.16 -119.33 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.247 1.019 . . . . 0.0 110.91 -164.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . 0.271 0.0 OUTLIER 51.64 3.52 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 130.513 3.525 . . . . 0.0 118.893 166.793 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 59.4 p -64.14 -17.92 63.93 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.345 1.458 . . . . 0.0 114.235 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 23.6 p -138.66 157.35 72.18 Favored Pre-proline 0 N--CA 1.473 0.698 0 C-N-CA 125.173 1.389 . . . . 0.0 111.437 172.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -63.94 -37.57 43.11 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.951 2.434 . . . . 0.0 113.989 177.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -71.33 -26.79 62.98 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.66 -51.57 26.88 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.622 0.769 . . . . 0.0 112.355 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -60.01 -35.6 62.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -171.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 27.3 ttm -83.72 -6.43 59.43 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.98 -20.67 5.19 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 125.14 1.352 . . . . 0.0 114.802 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -51.5 119.34 12.87 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 126.235 1.814 . . . . 0.0 113.067 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -47.09 -40.0 26.21 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 124.307 3.338 . . . . 0.0 115.308 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.88 -38.46 86.35 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.653 1.115 . . . . 0.0 112.556 178.271 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 85.1 t -69.53 -37.72 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 118.915 0.779 . . . . 0.0 111.253 173.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -61.46 -49.29 77.38 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.395 0.998 . . . . 0.0 112.024 171.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.42 -52.13 62.87 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.663 1.185 . . . . 0.0 112.717 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -34.03 72.27 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 120.89 -1.131 . . . . 0.0 111.324 173.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.12 -47.13 91.18 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.716 1.627 . . . . 0.0 113.957 169.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -57.76 -46.2 84.87 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 118.341 1.07 . . . . 0.0 111.003 169.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.72 -52.58 64.85 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.582 0.753 . . . . 0.0 112.619 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 p -58.31 -45.47 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-N 119.558 1.072 . . . . 0.0 112.019 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 tt -63.76 -40.21 96.14 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.78 -0.575 . . . . 0.0 111.681 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.01 -34.6 72.98 Favored Glycine 0 N--CA 1.473 1.101 0 C-N-CA 125.556 1.55 . . . . 0.0 114.926 177.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.17 -44.67 83.39 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.086 -1.244 . . . . 0.0 111.709 167.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.504 ' CE2' HD23 ' B' ' 110' ' ' LEU . 1.8 m-85 -62.91 -41.49 99.47 Favored 'General case' 0 CA--C 1.553 1.06 0 O-C-N 120.677 -1.265 . . . . 0.0 111.759 178.069 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.0 p -68.77 -39.04 80.42 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.761 -1.212 . . . . 0.0 113.12 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -58.4 -39.91 80.99 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 119.319 0.963 . . . . 0.0 111.868 169.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.85 -52.39 52.45 Favored Glycine 0 N--CA 1.467 0.744 0 C-N-CA 124.035 0.826 . . . . 0.0 112.132 174.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 32.0 mt -59.31 -8.97 1.92 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -111.74 -6.47 14.31 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.07 1.748 . . . . 0.0 114.262 176.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -138.43 30.02 2.4 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.891 1.677 . . . . 0.0 112.984 -177.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 76.4 mt -56.58 -20.69 22.15 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 -177.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -58.86 -40.75 85.24 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.126 0.97 . . . . 0.0 113.094 175.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -149.02 35.45 0.75 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.807 1.243 . . . . 0.0 113.286 -173.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -48.41 -28.05 3.01 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -54.12 -31.84 53.39 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.698 1.599 . . . . 0.0 113.523 176.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -89.12 -37.15 7.29 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.136 0.874 . . . . 0.0 113.855 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.95 -23.39 67.38 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 118.59 1.195 . . . . 0.0 113.955 -175.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -102.49 4.56 38.78 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -178.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.53 -35.1 52.66 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 120.784 1.629 . . . . 0.0 115.168 -170.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 24.7 p -66.66 -38.04 86.03 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.618 1.167 . . . . 0.0 112.947 173.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 30.0 mt -68.33 -41.46 80.75 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.778 0.831 . . . . 0.0 110.875 171.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -60.1 -38.39 82.82 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.011 0.823 . . . . 0.0 111.786 175.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.83 -49.3 75.46 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.616 -0.677 . . . . 0.0 112.199 171.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 45.8 tp -55.26 -51.18 67.46 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.099 -1.001 . . . . 0.0 111.57 174.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -76.07 -11.26 59.91 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -175.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 49.3 t -107.95 -80.87 0.57 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.326 1.05 . . . . 0.0 110.647 171.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -56.99 -20.69 25.36 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -172.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -116.33 -5.26 11.8 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 176.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 96.1 mt -144.07 -37.07 0.33 Allowed 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 -174.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 40.54 25.77 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.265 2.626 . . . . 0.0 116.129 -172.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 3.7 m -58.44 132.06 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.225 1.01 . . . . 0.0 111.93 -176.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.74 146.59 94.46 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 125.212 1.405 . . . . 0.0 113.499 -168.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -49.97 -36.5 44.28 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.842 3.028 . . . . 0.0 116.691 -175.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.96 -28.27 56.3 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.916 0.886 . . . . 0.0 112.893 174.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -69.38 -42.29 75.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.537 1.135 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -61.22 -47.76 84.6 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 122.883 0.473 . . . . 0.0 110.677 171.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -58.8 -41.27 86.32 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.699 0.8 . . . . 0.0 112.226 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.99 -48.29 82.52 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.37 0.668 . . . . 0.0 112.598 174.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.7 tt -61.98 -37.63 85.53 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.25 0.477 . . . . 0.0 111.162 175.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -50.92 -60.84 6.63 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 124.686 1.136 . . . . 0.0 114.162 167.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -50.12 -51.03 46.43 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.185 0.994 . . . . 0.0 111.595 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 48.6 t -57.07 -52.31 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 123.41 0.684 . . . . 0.0 111.963 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.504 HD23 ' CE2' ' B' ' 71' ' ' PHE . 46.3 tp -58.82 -50.38 74.17 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.812 0.845 . . . . 0.0 111.579 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 15.1 m -64.61 -32.41 57.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 118.628 0.649 . . . . 0.0 111.752 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 34.5 t -70.31 -29.01 65.63 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.458 -0.776 . . . . 0.0 112.485 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 113' ' ' VAL . . . . . 0.552 HG22 ' CD ' ' B' ' 30' ' ' ARG . 1.1 t -62.63 -36.96 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 O-C-N 120.705 -1.247 . . . . 0.0 111.025 171.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.81 -40.45 88.06 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.408 0.683 . . . . 0.0 110.033 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.27 -29.27 65.68 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 172.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -74.1 -62.89 1.35 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.665 1.12 . . . . 0.0 113.029 168.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -64.54 -24.0 67.46 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -171.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -126.91 36.46 4.45 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.057 1.743 . . . . 0.0 110.737 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.38 -13.63 23.21 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 125.572 1.558 . . . . 0.0 116.215 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -84.91 -7.75 59.04 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.718 1.207 . . . . 0.0 113.425 169.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -130.06 -4.28 4.48 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.379 1.871 . . . . 0.0 113.57 -170.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.39 40.7 0.08 Allowed 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 127.847 2.459 . . . . 0.0 115.713 -173.264 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 61.1 p -49.57 145.99 7.51 Favored Pre-proline 0 N--CA 1.477 0.894 0 O-C-N 119.776 -1.827 . . . . 0.0 113.149 -172.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_exo -42.63 -44.3 8.58 Favored 'Trans proline' 0 CA--C 1.548 1.189 0 C-N-CA 123.162 2.575 . . . . 0.0 115.84 174.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.24 -27.05 35.25 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.798 1.665 . . . . 0.0 115.381 173.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.91 -46.71 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 122.358 2.345 . . . . 0.0 112.483 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -63.63 -35.68 81.32 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.944 1.247 . . . . 0.0 111.667 174.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.84 95.55 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.972 0.806 . . . . 0.0 112.665 171.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.6 -47.1 87.72 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.326 0.65 . . . . 0.0 111.401 177.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 130' ' ' TYR . . . . . 0.446 ' CE1' HG23 ' B' ' 11' ' ' VAL . 30.2 m-85 -53.86 -55.47 26.46 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 122.458 0.303 . . . . 0.0 111.747 168.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -56.68 -36.19 69.32 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.807 -1.183 . . . . 0.0 113.233 -176.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -67.48 -38.48 84.47 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 120.189 1.359 . . . . 0.0 114.045 173.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.6 -33.69 50.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 CA-C-N 120.495 1.498 . . . . 0.0 112.429 171.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.44 HG22 ' CE2' ' B' ' 71' ' ' PHE . 47.2 t -68.61 -34.74 66.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-N 119.017 0.826 . . . . 0.0 111.866 175.046 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.17 -43.48 82.64 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 119.935 -1.728 . . . . 0.0 111.0 167.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.53 -52.58 50.98 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-O 119.636 -0.536 . . . . 0.0 113.222 170.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -42.91 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 118.378 1.089 . . . . 0.0 111.835 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.25 -47.43 79.67 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.883 0.873 . . . . 0.0 111.921 177.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -62.08 -36.3 81.26 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.3 -44.01 80.3 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.641 0.655 . . . . 0.0 112.441 174.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.49 -39.38 93.3 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.055 1.298 . . . . 0.0 111.896 172.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.97 -4.67 13.89 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 173.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -57.45 -37.82 73.46 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.126 -1.609 . . . . 0.0 113.557 -176.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -74.27 -4.07 33.91 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 174.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.554 1.12 0 C-N-CA 126.746 2.019 . . . . 0.0 113.255 -175.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.274 9.4 p . . . . . 0 N--CA 1.511 2.609 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 47.7 mt -110.89 176.06 5.18 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 120.502 1.501 . . . . 0.0 111.999 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 59.6 p -93.92 163.6 23.3 Favored Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 125.296 1.439 . . . . 0.0 110.726 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.84 -43.1 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.036 1.824 . . . . 0.0 112.948 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.03 -45.67 73.33 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.781 -0.575 . . . . 0.0 112.096 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -66.44 -33.01 74.75 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.432 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -52.83 -53.01 54.86 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 119.408 1.003 . . . . 0.0 111.619 170.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 88.0 m -58.27 -39.94 80.56 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.558 0.743 . . . . 0.0 111.09 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -69.47 -34.09 73.84 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 72.6 t -64.14 -50.09 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 119.317 0.962 . . . . 0.0 110.48 167.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -56.48 -47.19 79.75 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 119.226 0.921 . . . . 0.0 111.742 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.58 -48.0 82.4 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.225 1.01 . . . . 0.0 111.908 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.16 -51.86 61.82 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.959 0.504 . . . . 0.0 112.205 175.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -65.36 -25.41 67.57 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.228 -0.92 . . . . 0.0 113.214 -176.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.77 -42.15 94.33 Favored Glycine 0 CA--C 1.537 1.411 0 O-C-N 121.174 -0.954 . . . . 0.0 113.164 167.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -68.97 -31.62 70.62 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 118.138 0.969 . . . . 0.0 112.288 174.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 17' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' C' ' 21' ' ' ALA . 77.5 t -68.63 -14.53 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.803 1.641 . . . . 0.0 113.509 176.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.45 135.12 4.01 Favored Glycine 0 CA--C 1.542 1.762 0 C-N-CA 124.837 1.208 . . . . 0.0 114.638 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 59.44 -32.0 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 128.641 2.776 . . . . 0.0 116.961 -171.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -78.49 -11.25 59.94 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.068 1.347 . . . . 0.0 114.024 172.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.462 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -49.85 -49.02 50.73 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.793 1.237 . . . . 0.0 113.509 -175.346 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.19 -37.85 91.57 Favored Glycine 0 N--CA 1.474 1.202 0 O-C-N 121.622 -0.674 . . . . 0.0 113.932 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.92 -45.85 89.36 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.515 1.126 . . . . 0.0 111.418 170.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -64.68 -39.24 93.32 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.187 -0.946 . . . . 0.0 112.841 174.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.78 -47.45 90.91 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-N 118.885 0.766 . . . . 0.0 112.594 172.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.8 -47.09 87.91 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.765 0.826 . . . . 0.0 111.678 176.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -59.13 -40.38 85.3 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 171.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.05 93.23 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.63 1.104 . . . . 0.0 112.364 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.8 -50.87 69.3 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.44 1.096 . . . . 0.0 111.672 172.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -60.54 -48.94 79.54 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.368 0.667 . . . . 0.0 112.462 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 ttm105 -60.22 -41.48 93.16 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.899 1.279 . . . . 0.0 111.157 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 39.3 ttp -60.03 -49.18 78.66 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.358 0.981 . . . . 0.0 112.923 171.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -57.75 -39.0 76.33 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.961 -0.462 . . . . 0.0 112.199 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 76.7 mt -75.48 -41.55 55.18 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.585 0.754 . . . . 0.0 112.684 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 70.4 p -75.0 -22.79 58.31 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -174.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -139.68 73.6 34.53 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 125.01 1.324 . . . . 0.0 109.945 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -49.08 -27.62 12.53 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 124.909 3.739 . . . . 0.0 115.405 -174.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -35.39 -45.89 0.35 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 128.095 2.558 . . . . 0.0 113.382 166.198 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 77.0 p -60.71 -26.93 67.52 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.433 1.493 . . . . 0.0 114.7 -176.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -60.01 -24.62 64.63 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.273 0.942 . . . . 0.0 113.3 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -57.69 -28.09 63.51 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -65.57 -21.85 66.63 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 t80 33.29 56.93 1.53 Allowed Pre-proline 0 CA--C 1.556 1.198 0 C-N-CA 127.796 2.438 . . . . 0.0 114.249 175.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -81.05 51.61 4.01 Favored 'Trans proline' 0 CA--C 1.548 1.209 0 C-N-CA 124.793 3.662 . . . . 0.0 113.758 -157.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.266 31.3 p80 46.4 31.51 1.3 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 127.07 2.148 . . . . 0.0 114.715 -169.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -90.46 152.27 21.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.644 1.178 . . . . 0.0 111.139 168.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -120.92 109.45 15.12 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.243 1.417 . . . . 0.0 108.681 168.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 69.9 mt -76.76 31.23 0.13 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.973 1.309 . . . . 0.0 113.126 -176.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 14.0 t -62.32 153.04 32.11 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.2 1.4 . . . . 0.0 112.04 177.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -56.76 116.5 3.2 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.763 0.825 . . . . 0.0 111.432 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.82 12.67 79.45 Favored Glycine 0 CA--C 1.538 1.481 0 CA-C-O 118.862 -0.965 . . . . 0.0 115.348 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 47.5 t -51.61 116.45 2.11 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.225 1.512 . . . . 0.0 114.124 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -27.11 68.29 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.258 1.023 . . . . 0.0 113.703 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.18 -45.11 88.1 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 119.016 0.826 . . . . 0.0 111.809 175.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.83 -42.27 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.59 0.756 . . . . 0.0 111.303 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -62.9 -47.81 81.7 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.101 0.56 . . . . 0.0 111.639 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.92 -50.73 61.18 Favored Glycine 0 N--CA 1.467 0.725 0 C-N-CA 124.714 1.149 . . . . 0.0 112.473 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -59.47 -39.62 84.29 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.456 1.128 . . . . 0.0 111.949 174.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.21 -51.83 48.06 Favored Glycine 0 CA--C 1.532 1.126 0 O-C-N 121.347 -0.846 . . . . 0.0 113.323 168.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -57.38 -41.57 80.46 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.3 1.04 . . . . 0.0 113.002 172.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -63.27 -51.86 64.41 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 119.819 1.19 . . . . 0.0 112.409 175.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 77.5 t -55.98 -44.78 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 119.441 1.019 . . . . 0.0 110.934 176.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 63' ' ' ALA . . . . . 0.462 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -64.07 -46.94 82.09 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 176.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.28 -35.9 82.34 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.132 -0.98 . . . . 0.0 111.866 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.4 -38.04 89.62 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 169.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.55 -42.58 98.37 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.12 0.873 . . . . 0.0 112.308 168.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 57.3 m -58.72 -45.71 88.98 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 120.36 1.437 . . . . 0.0 111.677 172.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -58.05 -42.16 84.83 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.813 1.245 . . . . 0.0 112.419 172.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.02 -54.05 51.54 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.564 0.62 . . . . 0.0 111.252 171.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -56.44 -40.11 65.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.17 0.988 . . . . 0.0 111.912 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.1 -18.3 65.26 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -138.97 25.06 2.54 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.935 1.294 . . . . 0.0 112.242 -172.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 1.3 p -63.12 -23.47 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 -151.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.64 -4.35 57.83 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 174.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -124.02 2.45 8.66 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 127.702 2.401 . . . . 0.0 112.63 176.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 20.0 ptt? -54.53 -23.18 0.87 Allowed Pre-proline 0 CA--C 1.544 0.718 0 N-CA-C 116.602 2.075 . . . . 0.0 116.602 175.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -46.36 -23.59 2.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 C-N-CA 123.252 2.635 . . . . 0.0 116.238 163.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -103.27 -42.54 5.71 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.703 1.138 . . . . 0.0 112.44 168.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.42 -11.21 21.35 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 115.818 1.785 . . . . 0.0 115.818 -176.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 88.5 mt -109.38 8.08 25.29 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.884 1.274 . . . . 0.0 113.56 175.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 95.8 p -56.25 -33.58 65.57 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -175.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.59 -17.68 48.06 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 174.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 18.0 mt -105.98 -39.61 5.94 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.366 1.067 . . . . 0.0 111.391 -169.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 2.8 p -55.89 -43.79 77.56 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.989 -0.529 . . . . 0.0 110.091 157.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -56.86 -52.7 64.1 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 171.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 pp -60.91 -37.35 81.96 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.872 1.214 . . . . 0.0 112.767 -175.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -72.43 -47.28 50.26 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.638 1.108 . . . . 0.0 111.179 173.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.84 -32.45 70.68 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -177.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -115.82 12.38 15.85 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -173.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 9.8 ttpp -145.17 -28.79 0.45 Allowed 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 176.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 69.9 mt -139.33 -26.09 0.83 Allowed 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 -166.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 27.91 42.69 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 130.362 3.465 . . . . 0.0 117.37 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.41 138.65 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 O-C-N 121.016 -1.053 . . . . 0.0 110.538 172.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.67 161.21 78.63 Favored Pre-proline 0 CA--C 1.557 1.237 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -53.37 -14.77 4.87 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 124.516 3.477 . . . . 0.0 118.784 -178.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 5.1 p -55.24 -38.5 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 122.126 2.239 . . . . 0.0 112.579 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -65.42 -29.92 70.67 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 175.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 98' ' ' PHE . . . . . 0.419 ' CD1' ' HB3' ' C' ' 133' ' ' SER . 0.0 OUTLIER -59.53 -57.49 12.74 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 119.774 1.17 . . . . 0.0 109.13 168.514 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -54.04 -49.0 69.95 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.081 0.552 . . . . 0.0 110.075 -172.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 57.5 mt -57.36 -60.51 3.53 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.975 0.91 . . . . 0.0 111.945 175.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.56 -35.37 80.26 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.774 1.17 . . . . 0.0 111.801 -174.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 58.0 m -65.51 -44.23 87.64 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.648 1.113 . . . . 0.0 113.151 174.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 60.0 m170 -57.64 -47.05 83.31 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.285 0.948 . . . . 0.0 110.697 169.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 98.5 m -63.36 -34.04 76.85 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 19.8 mt -65.12 -53.51 44.1 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.54 1.136 . . . . 0.0 111.149 171.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 61.4 mt -51.87 -44.06 63.54 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.287 1.035 . . . . 0.0 110.64 176.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 10.1 t -54.15 -48.23 66.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 124.56 1.144 . . . . 0.0 112.539 171.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -40.68 96.99 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.361 1.437 . . . . 0.0 113.263 172.102 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.73 -43.74 95.62 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.296 0.953 . . . . 0.0 110.184 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.31 -34.77 48.43 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 171.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.89 -10.03 59.68 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -174.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -132.86 -31.38 1.32 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -174.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.2 mp -72.33 171.12 10.44 Favored Pre-proline 0 CA--C 1.554 1.125 0 CA-C-N 118.758 0.708 . . . . 0.0 109.894 166.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.31 -158.32 0.01 OUTLIER 'Trans proline' 0 CA--C 1.548 1.19 0 C-N-CA 124.145 3.23 . . . . 0.0 113.307 156.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.75 52.17 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.072 1.749 . . . . 0.0 114.716 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.16 -6.51 0.1 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 127.92 2.488 . . . . 0.0 115.626 -178.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -80.07 14.78 1.71 Allowed 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.494 1.518 . . . . 0.0 113.792 168.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 5.6 p -54.44 156.16 6.36 Favored Pre-proline 0 N--CA 1.468 0.474 0 CA-C-N 119.169 0.895 . . . . 0.0 110.991 174.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -52.8 -31.43 51.43 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 122.391 2.061 . . . . 0.0 115.082 168.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.21 -33.38 65.34 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 175.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 47.2 t -110.82 -28.97 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 121.092 -1.005 . . . . 0.0 112.605 -166.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.37 -53.2 20.65 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.662 -1.274 . . . . 0.0 112.532 177.133 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.83 91.08 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 118.797 0.726 . . . . 0.0 110.648 172.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 7.5 t -49.17 -61.85 1.85 Allowed 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.039 0.936 . . . . 0.0 111.961 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.76 -41.16 88.22 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.754 0.706 . . . . 0.0 112.851 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.0 -53.91 42.58 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.562 1.074 . . . . 0.0 112.007 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . 0.272 0.0 OUTLIER -68.39 -25.55 65.11 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.324 0.65 . . . . 0.0 112.405 177.82 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -64.9 -54.87 23.95 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.868 1.213 . . . . 0.0 112.054 165.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.02 -37.3 82.06 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 120.027 1.285 . . . . 0.0 112.351 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.48 -38.48 91.29 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.471 0.708 . . . . 0.0 112.676 170.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 21.9 t -63.4 -42.14 98.77 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 120.445 -1.409 . . . . 0.0 112.49 169.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.6 -48.93 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 120.909 -1.12 . . . . 0.0 111.307 174.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 133' ' ' SER . . . . . 0.419 ' HB3' ' CD1' ' C' ' 98' ' ' PHE . 84.9 p -68.9 -40.78 78.96 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.275 0.943 . . . . 0.0 113.121 177.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 1.9 m -47.71 -51.3 22.45 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.954 1.302 . . . . 0.0 110.313 167.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 32.9 t -63.31 -42.16 95.36 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 O-C-N 121.406 -0.809 . . . . 0.0 112.917 175.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -13.48 40.08 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 174.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 2.4 t -115.35 -5.01 12.31 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.893 1.277 . . . . 0.0 113.185 175.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 CA--C 1.546 0.799 0 O-C-N 120.606 -1.309 . . . . 0.0 110.962 149.67 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.338 2.6 p . . . . . 0 N--CA 1.514 2.766 0 CA-C-O 116.849 -1.548 . . . . 0.0 112.712 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 7.7 p80 24.84 71.39 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 127.452 2.301 . . . . 0.0 115.983 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.07 156.14 15.58 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.803 0.841 . . . . 0.0 111.697 178.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 20.0 p -68.01 160.93 71.72 Favored Pre-proline 0 N--CA 1.477 0.905 0 O-C-N 121.692 -0.63 . . . . 0.0 110.607 163.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -54.53 -40.25 84.57 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 122.734 2.289 . . . . 0.0 113.646 172.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.67 -40.89 72.71 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.38 0.672 . . . . 0.0 112.252 178.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -60.42 -51.46 69.38 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.729 -0.607 . . . . 0.0 111.032 171.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -57.17 -44.47 83.55 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.626 177.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 34.5 t -55.77 -50.1 71.34 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 118.532 0.605 . . . . 0.0 110.995 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.77 -51.28 70.67 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 11' ' ' VAL . . . . . 0.443 HG23 ' CE1' ' D' ' 130' ' ' TYR . 2.6 p -67.73 -47.05 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 119.576 1.08 . . . . 0.0 112.556 178.579 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 27.6 m -69.83 -38.43 76.53 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 120.319 -1.488 . . . . 0.0 111.281 -171.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.95 -39.07 92.93 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.008 -1.058 . . . . 0.0 112.268 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.67 -40.58 76.33 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.988 -0.445 . . . . 0.0 110.925 175.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -37.27 72.08 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.031 -1.043 . . . . 0.0 112.971 168.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.65 -29.7 70.48 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.673 1.13 . . . . 0.0 114.995 175.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -100.74 -10.61 20.66 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.38 141.21 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.192 0.997 . . . . 0.0 112.496 -176.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -88.97 79.4 7.3 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.06 0.944 . . . . 0.0 109.677 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 88.1 t -48.05 -45.11 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 125.192 1.397 . . . . 0.0 114.604 -166.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -60.53 -54.88 40.16 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.775 0.83 . . . . 0.0 112.249 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -68.12 -55.1 13.63 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.443 0.697 . . . . 0.0 111.339 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 p -64.99 -33.38 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 O-C-N 121.492 -0.755 . . . . 0.0 112.583 -175.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.02 -42.87 50.65 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-N 118.474 0.579 . . . . 0.0 111.763 175.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.93 -45.54 95.45 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-N 118.031 0.916 . . . . 0.0 112.505 173.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -44.74 92.76 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 117.847 0.824 . . . . 0.0 111.027 172.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.91 -51.41 69.4 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 120.044 1.293 . . . . 0.0 112.688 176.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 tp -68.57 -35.44 77.39 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.641 -0.662 . . . . 0.0 111.892 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.416 ' O ' HG13 ' D' ' 33' ' ' VAL . . . -62.23 -54.6 33.34 Favored Glycine 0 N--CA 1.466 0.671 0 CA-C-N 119.463 1.029 . . . . 0.0 111.463 170.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 30' ' ' ARG . . . . . 0.536 ' CD ' HG22 ' D' ' 113' ' ' VAL . 4.7 mtt-85 -44.75 -44.91 9.63 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.642 1.577 . . . . 0.0 112.0 175.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 32.5 tp -46.38 -53.52 10.8 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.91 0.756 . . . . 0.0 110.563 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 32' ' ' LEU . . . . . 0.418 ' H ' HD22 ' D' ' 32' ' ' LEU . 0.6 OUTLIER -72.21 -32.84 67.12 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.02 0.827 . . . . 0.0 111.002 -179.528 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 33' ' ' VAL . . . . . 0.416 HG13 ' O ' ' D' ' 29' ' ' GLY . 0.8 OUTLIER -69.08 -9.03 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 178.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.52 -7.44 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-N 119.543 1.065 . . . . 0.0 112.996 166.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 10.3 t80 51.31 49.73 7.6 Favored Pre-proline 0 CA--C 1.564 1.511 0 O-C-N 120.48 -1.388 . . . . 0.0 113.878 -165.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -84.44 164.83 12.59 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.81 2.34 . . . . 0.0 113.191 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -58.3 -30.22 66.48 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 165.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 59.7 p -56.58 -27.34 57.68 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 120.843 -1.161 . . . . 0.0 113.184 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -6.97 19.44 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 178.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -54.47 -24.59 20.98 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 121.26 1.845 . . . . 0.0 114.649 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -93.63 4.41 53.99 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.748 1.219 . . . . 0.0 114.041 176.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.35 -18.72 1.72 Allowed 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 116.39 1.996 . . . . 0.0 116.39 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -56.61 -30.48 63.3 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.601 1.16 . . . . 0.0 113.743 177.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 81.0 p -79.66 -12.3 59.82 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 175.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -83.14 -15.43 50.73 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 121.106 -0.996 . . . . 0.0 111.795 177.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.88 25.69 74.15 Favored Glycine 0 N--CA 1.476 1.361 0 C-N-CA 125.391 1.472 . . . . 0.0 116.303 161.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -155.22 -119.26 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 124.249 1.02 . . . . 0.0 110.994 -164.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . 0.267 0.0 OUTLIER 51.52 3.59 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 130.717 3.607 . . . . 0.0 118.826 166.769 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 59.6 p -64.09 -17.73 63.7 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.202 1.401 . . . . 0.0 114.38 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 22.8 p -138.76 157.27 72.14 Favored Pre-proline 0 N--CA 1.475 0.78 0 C-N-CA 125.195 1.398 . . . . 0.0 111.332 172.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -63.9 -37.45 44.23 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.922 2.415 . . . . 0.0 114.013 177.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.96 -28.67 64.64 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.29 -51.59 35.75 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.653 0.781 . . . . 0.0 112.378 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.93 -35.57 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -171.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 27.4 ttm -83.9 -6.27 59.39 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.82 -20.81 5.21 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.093 1.33 . . . . 0.0 114.918 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -51.35 119.39 12.66 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 126.304 1.842 . . . . 0.0 113.043 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.16 -39.97 26.7 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 124.248 3.299 . . . . 0.0 115.275 174.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.87 -38.44 86.32 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.671 1.123 . . . . 0.0 112.584 178.326 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 85.2 t -69.6 -37.69 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 118.78 0.718 . . . . 0.0 111.3 173.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -61.41 -49.49 76.65 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.339 0.972 . . . . 0.0 111.957 171.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.39 -51.88 63.97 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.502 1.121 . . . . 0.0 112.846 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -33.79 72.29 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.685 -1.259 . . . . 0.0 111.444 173.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.29 -47.12 91.47 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.799 1.666 . . . . 0.0 113.941 169.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -57.67 -46.19 84.58 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.366 1.083 . . . . 0.0 111.074 169.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.95 -52.34 65.9 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-O 118.454 -0.784 . . . . 0.0 112.668 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 p -58.12 -46.05 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 119.636 1.107 . . . . 0.0 112.116 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 tt -63.29 -40.1 96.42 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.587 -0.696 . . . . 0.0 111.768 176.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.44 -37.64 82.97 Favored Glycine 0 N--CA 1.47 0.961 0 C-N-CA 125.672 1.606 . . . . 0.0 113.145 177.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.38 -44.22 92.03 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 117.973 0.886 . . . . 0.0 111.898 169.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 71' ' ' PHE . . . . . 0.503 ' CE2' HD23 ' D' ' 110' ' ' LEU . 1.8 m-85 -63.1 -41.24 99.34 Favored 'General case' 0 CA--C 1.551 0.99 0 O-C-N 120.646 -1.284 . . . . 0.0 111.586 178.103 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 78.6 p -69.39 -37.96 77.77 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.931 -1.106 . . . . 0.0 113.336 174.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -58.43 -40.33 82.26 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.501 1.046 . . . . 0.0 111.552 168.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.95 -52.32 52.96 Favored Glycine 0 C--N 1.339 0.712 0 C-N-CA 124.073 0.844 . . . . 0.0 112.153 174.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 32.2 mt -59.11 -9.25 1.9 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.328 1.451 . . . . 0.0 114.91 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -111.49 -6.72 14.39 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.299 1.839 . . . . 0.0 114.382 176.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -138.34 30.04 2.42 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.702 1.601 . . . . 0.0 112.918 -177.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 75.5 mt -56.67 -20.45 21.61 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -177.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -59.05 -40.63 85.69 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.175 0.99 . . . . 0.0 113.067 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -149.06 35.44 0.75 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 124.753 1.221 . . . . 0.0 113.289 -173.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -48.39 -28.04 2.97 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -54.17 -31.81 53.75 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.64 1.576 . . . . 0.0 113.495 176.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -89.14 -37.06 7.31 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.15 0.881 . . . . 0.0 113.907 176.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.99 -23.47 67.46 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 118.576 1.188 . . . . 0.0 113.988 -175.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -102.41 4.53 38.95 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -177.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.53 -34.96 52.29 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 120.814 1.643 . . . . 0.0 115.23 -170.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 24.6 p -66.79 -38.09 85.86 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.708 1.203 . . . . 0.0 112.924 173.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 29.8 mt -68.31 -41.64 80.58 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.716 0.806 . . . . 0.0 110.918 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 3.5 m -59.72 -38.46 81.74 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.073 0.851 . . . . 0.0 111.906 174.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -62.94 -49.29 75.33 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.638 -0.664 . . . . 0.0 112.144 171.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 45.7 tp -55.26 -51.17 67.52 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.037 -1.04 . . . . 0.0 111.6 174.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -75.94 -11.43 59.96 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -175.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 49.2 t -107.95 -80.73 0.57 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.146 0.978 . . . . 0.0 110.696 171.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -56.95 -20.65 24.85 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 -172.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -116.32 -5.25 11.8 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 175.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 96.2 mt -144.19 -37.1 0.32 Allowed 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 40.67 25.76 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.163 2.585 . . . . 0.0 116.217 -172.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 3.6 m -58.54 132.01 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.235 1.014 . . . . 0.0 111.887 -176.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.56 146.6 93.74 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 125.198 1.399 . . . . 0.0 113.532 -168.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -50.0 -36.53 44.63 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.941 3.094 . . . . 0.0 116.734 -175.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.9 -27.91 54.22 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.986 0.915 . . . . 0.0 113.001 174.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -70.22 -41.97 72.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.302 1.041 . . . . 0.0 110.901 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -61.1 -47.9 84.18 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.172 0.589 . . . . 0.0 110.719 171.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -58.82 -40.82 85.29 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.969 0.908 . . . . 0.0 112.604 178.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.26 -48.42 81.5 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.593 0.757 . . . . 0.0 112.85 173.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.01 -37.83 86.33 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 118.569 0.622 . . . . 0.0 110.869 175.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -51.48 -60.34 7.43 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 125.045 1.307 . . . . 0.0 114.357 167.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -49.62 -51.74 35.41 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.796 1.238 . . . . 0.0 111.923 173.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.42 -53.52 39.47 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.949 0.9 . . . . 0.0 111.591 177.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 110' ' ' LEU . . . . . 0.503 HD23 ' CE2' ' D' ' 71' ' ' PHE . 46.2 tp -58.63 -49.88 75.89 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.09 0.859 . . . . 0.0 111.521 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 m -64.42 -32.47 57.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 C-N-CA 120.053 -0.659 . . . . 0.0 112.367 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 35.3 t -70.24 -28.26 65.11 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.08 -1.013 . . . . 0.0 112.398 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 113' ' ' VAL . . . . . 0.536 HG22 ' CD ' ' D' ' 30' ' ' ARG . 1.1 t -63.06 -37.27 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 O-C-N 120.753 -1.217 . . . . 0.0 111.346 171.359 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 mt -65.96 -41.05 91.73 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.939 0.896 . . . . 0.0 110.248 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.1 -29.34 65.39 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 172.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -74.23 -62.93 1.35 Allowed 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.802 1.183 . . . . 0.0 112.869 168.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -64.55 -23.98 67.45 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -171.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -127.14 36.4 4.43 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.002 1.721 . . . . 0.0 110.724 -177.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.28 -13.58 22.21 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 125.539 1.542 . . . . 0.0 116.253 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -84.99 -7.82 58.99 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.625 1.17 . . . . 0.0 113.468 169.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -129.69 -4.72 4.67 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.442 1.897 . . . . 0.0 113.671 -170.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.79 40.65 0.07 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 127.761 2.425 . . . . 0.0 115.935 -173.443 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 66.6 p -49.99 146.13 8.42 Favored Pre-proline 0 N--CA 1.473 0.682 0 O-C-N 119.719 -1.863 . . . . 0.0 113.179 -172.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -42.57 -44.54 8.45 Favored 'Trans proline' 0 CA--C 1.55 1.276 0 C-N-CA 123.184 2.589 . . . . 0.0 115.859 174.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.05 -26.96 36.52 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 121.709 1.606 . . . . 0.0 115.378 173.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.02 -46.49 78.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 122.364 2.347 . . . . 0.0 112.452 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -63.62 -36.05 82.53 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.177 1.353 . . . . 0.0 111.424 174.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.48 -45.58 93.21 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.989 0.813 . . . . 0.0 112.64 171.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.07 -48.1 82.84 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.908 0.883 . . . . 0.0 111.286 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 130' ' ' TYR . . . . . 0.443 ' CE1' HG23 ' D' ' 11' ' ' VAL . 29.2 m-85 -54.38 -54.43 40.62 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 122.074 -0.391 . . . . 0.0 111.509 169.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -57.28 -35.85 70.3 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.921 -1.112 . . . . 0.0 113.207 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -67.83 -38.12 82.79 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 120.021 1.282 . . . . 0.0 114.059 173.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 11.0 p -71.74 -33.77 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 120.469 1.486 . . . . 0.0 112.244 171.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 134' ' ' VAL . . . . . 0.448 HG22 ' CE2' ' D' ' 71' ' ' PHE . 48.6 t -68.69 -34.49 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 119.029 0.831 . . . . 0.0 111.847 174.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.9 -42.97 85.8 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.036 -1.04 . . . . 0.0 111.109 168.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.43 -52.68 50.29 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 123.519 0.58 . . . . 0.0 113.284 170.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.8 -43.15 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 118.416 1.108 . . . . 0.0 111.891 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.81 -47.88 79.08 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.015 0.926 . . . . 0.0 111.747 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -62.13 -36.24 81.19 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.764 -0.585 . . . . 0.0 112.563 174.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.0 -44.26 80.79 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.694 0.679 . . . . 0.0 112.422 174.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 8.3 mt -62.27 -39.69 93.74 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.273 1.397 . . . . 0.0 111.918 172.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.77 -4.64 13.04 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 173.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -57.65 -37.83 74.03 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 120.054 -1.654 . . . . 0.0 113.41 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -74.11 -4.13 33.79 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 174.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.84 -12.3 15.22 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.816 2.047 . . . . 0.0 113.201 -175.427 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.256 1.447 0 C-N-CA 127.201 2.201 . . . . 0.0 116.535 -173.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.509 2.486 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.8 mt -142.06 -167.41 2.46 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.738 1.615 . . . . 0.0 112.956 -170.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.26 164.0 30.5 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 127.899 2.48 . . . . 0.0 111.03 -178.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.04 -44.25 0.13 Allowed 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.436 2.09 . . . . 0.0 113.269 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.17 72.35 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.597 -0.689 . . . . 0.0 112.453 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.44 -45.52 84.59 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.615 0.643 . . . . 0.0 110.921 176.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -53.81 -49.54 68.12 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.863 0.865 . . . . 0.0 110.766 175.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.2 m -56.04 -45.58 79.17 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.384 0.674 . . . . 0.0 112.127 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -67.41 -35.62 79.65 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.555 -0.716 . . . . 0.0 112.611 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.5 t -65.22 -51.19 68.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 118.628 0.649 . . . . 0.0 111.192 172.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.3 -41.15 83.78 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.189 0.996 . . . . 0.0 111.036 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.7 -53.98 50.87 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.655 0.782 . . . . 0.0 111.841 173.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.46 -54.76 41.93 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.492 0.587 . . . . 0.0 111.352 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -62.14 -26.16 68.15 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.76 -41.36 98.94 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.761 1.172 . . . . 0.0 113.717 172.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -22.1 39.77 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 118.607 1.203 . . . . 0.0 112.867 170.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.7 t -62.18 -44.41 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-O 117.948 -1.025 . . . . 0.0 111.69 168.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 40.38 -128.88 2.96 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 124.976 1.274 . . . . 0.0 115.683 168.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.76 -24.59 67.83 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 121.168 -1.195 . . . . 0.0 114.048 175.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -67.46 -12.79 61.14 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.145 1.378 . . . . 0.0 113.197 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.545 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -46.68 -49.95 18.54 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.644 1.178 . . . . 0.0 114.131 -177.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.09 -39.92 97.64 Favored Glycine 0 CA--C 1.528 0.858 0 CA-C-O 119.531 -0.594 . . . . 0.0 113.605 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -40.7 91.94 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 117.885 0.843 . . . . 0.0 111.522 175.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -66.78 -38.59 86.84 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.269 -0.895 . . . . 0.0 112.124 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.62 -50.55 65.99 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-N 119.011 0.823 . . . . 0.0 112.296 169.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.13 -51.12 69.11 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.998 0.919 . . . . 0.0 112.522 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.04 -43.47 91.66 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 123.193 0.597 . . . . 0.0 112.187 174.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.06 -35.71 77.68 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 118.816 0.735 . . . . 0.0 112.884 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.406 ' HA ' ' HE3' ' A' ' 32' ' ' MET . 46.8 mt -67.28 -53.68 27.65 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.622 0.769 . . . . 0.0 111.72 174.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -55.61 -45.33 77.5 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.951 0.882 . . . . 0.0 112.214 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.469 HH12 ' HB ' ' A' ' 107' ' ' VAL . 10.7 mmm-85 -55.12 -48.29 73.85 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.279 1.432 . . . . 0.0 112.96 170.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.406 ' HE3' ' HA ' ' A' ' 29' ' ' LEU . 3.9 tmm? -60.74 -41.8 96.09 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.544 1.065 . . . . 0.0 111.833 176.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -59.14 -43.32 92.03 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 120.226 1.375 . . . . 0.0 113.765 174.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.4 mt -75.61 -46.86 29.24 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.148 0.579 . . . . 0.0 111.437 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 t -86.5 -7.62 58.24 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.006 1.722 . . . . 0.0 114.253 -170.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CG ' HD13 ' A' ' 100' ' ' LEU . 2.0 t80 -144.27 72.15 16.17 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 123.993 0.917 . . . . 0.0 109.879 174.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -44.4 -29.53 3.18 Favored 'Trans proline' 0 C--N 1.359 1.104 1 C-N-CA 125.413 4.075 . . . . 0.0 116.556 -170.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.9 m -45.0 -35.53 2.96 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 125.849 1.659 . . . . 0.0 114.595 170.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 37.5 p -67.26 -26.07 66.38 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 121.225 1.83 . . . . 0.0 113.391 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -62.32 -26.4 68.41 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.627 -1.296 . . . . 0.0 112.446 166.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.542 HG21 ' HB2' ' D' ' 93' ' ' CYS . 0.4 OUTLIER -65.32 -17.33 64.43 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 170.638 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -0.45 6.73 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.767 1.167 . . . . 0.0 114.142 174.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 t80 47.99 59.82 16.21 Favored Pre-proline 0 CA--C 1.554 1.11 0 C-N-CA 125.252 1.421 . . . . 0.0 112.298 -171.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -55.05 133.7 59.6 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.262 1.975 . . . . 0.0 111.29 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -73.81 -11.35 60.35 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 172.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.76 155.51 30.01 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.636 1.974 . . . . 0.0 113.816 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.0 -33.8 17.05 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -176.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.9 mt 45.61 36.29 2.53 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 126.346 1.859 . . . . 0.0 114.246 -173.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.5 t -87.28 29.79 0.83 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.098 1.759 . . . . 0.0 114.229 -169.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.6 t60 61.79 138.04 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 127.65 2.38 . . . . 0.0 114.124 -165.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.93 15.92 58.8 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.698 1.142 . . . . 0.0 115.402 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -53.15 123.16 11.0 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.38 1.872 . . . . 0.0 115.017 -166.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.59 -29.19 64.27 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.087 1.355 . . . . 0.0 114.197 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -76.76 -36.31 57.15 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.529 -0.732 . . . . 0.0 112.788 176.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.9 t -72.65 -39.45 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.215 -0.928 . . . . 0.0 111.485 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -61.92 -39.57 92.5 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 119.664 1.12 . . . . 0.0 112.957 172.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.03 -47.15 39.6 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 124.104 0.859 . . . . 0.0 112.74 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -59.61 -44.38 93.43 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.958 -0.73 . . . . 0.0 111.059 171.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.24 -51.74 40.11 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 124.903 1.24 . . . . 0.0 113.403 173.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -55.71 -40.73 72.83 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 118.976 1.388 . . . . 0.0 112.931 171.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -46.15 69.51 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.536 1.062 . . . . 0.0 113.173 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.0 t -55.96 -46.15 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 124.564 1.145 . . . . 0.0 110.383 171.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.545 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -62.88 -46.77 86.28 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 177.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.51 -37.14 86.17 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 119.392 0.996 . . . . 0.0 111.828 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.33 -34.22 77.81 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.178 -0.951 . . . . 0.0 113.531 169.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.33 -44.95 93.46 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 120.176 1.353 . . . . 0.0 112.126 165.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.4 m -54.77 -44.5 73.74 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 120.583 1.538 . . . . 0.0 111.723 170.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -60.42 -40.81 92.39 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.262 1.025 . . . . 0.0 112.176 173.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.6 82.98 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 118.459 0.572 . . . . 0.0 111.237 172.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.0 t -58.74 -44.97 91.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 119.676 1.125 . . . . 0.0 112.029 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.21 -23.12 67.19 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.245 1.418 . . . . 0.0 113.923 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -137.11 34.81 2.56 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 125.266 1.426 . . . . 0.0 111.268 -171.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . 0.255 2.5 p -63.57 -21.79 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 O-C-N 119.359 -2.088 . . . . 0.0 115.459 -159.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -106.0 5.14 30.1 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.848 1.659 . . . . 0.0 113.007 173.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -133.92 -1.86 2.97 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.95 2.5 . . . . 0.0 112.393 -168.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.3 ptt? -73.09 -10.0 0.17 Allowed Pre-proline 0 CA--C 1.546 0.791 0 CA-C-O 114.199 -2.81 . . . . 0.0 118.008 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -38.91 -42.22 1.94 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 123.834 3.023 . . . . 0.0 116.37 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -101.75 -18.4 15.82 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 171.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.0 -23.81 64.14 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 120.529 1.513 . . . . 0.0 114.093 -176.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.7 mt -96.52 7.5 46.37 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.595 0.758 . . . . 0.0 112.121 169.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.4 t -57.97 -39.93 79.4 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.057 1.299 . . . . 0.0 113.115 -174.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.65 -32.9 67.75 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 119.169 0.895 . . . . 0.0 112.6 173.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.64 -34.47 34.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.59 1.156 . . . . 0.0 111.551 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.0 t -59.6 -51.88 67.91 Favored 'General case' 0 N--CA 1.462 0.143 0 O-C-N 122.226 -0.296 . . . . 0.0 110.986 166.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -56.75 -37.87 71.62 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.433 1.093 . . . . 0.0 111.637 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.03 -71.27 0.09 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 118.045 -0.979 . . . . 0.0 111.431 161.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -19.17 64.03 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.999 1.272 . . . . 0.0 113.697 -165.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.73 -67.96 0.83 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 126.289 1.836 . . . . 0.0 110.349 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -64.87 -15.11 61.51 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -130.7 153.15 49.28 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.446 1.898 . . . . 0.0 110.42 169.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.0 mt 57.51 -17.73 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 117.972 2.582 . . . . 0.0 117.972 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.435 ' HD3' ' HA ' ' D' ' 41' ' ' PHE . 0.0 OUTLIER 52.77 22.29 2.25 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.878 2.471 . . . . 0.0 117.05 -171.453 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.2 t -35.19 105.89 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.435 1.894 . . . . 0.0 112.927 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.66 123.74 75.76 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-O 118.42 -0.8 . . . . 0.0 111.151 -177.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -55.52 -19.86 24.7 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.993 2.462 . . . . 0.0 114.583 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.1 t -57.92 -34.69 49.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 O-C-N 119.803 -1.811 . . . . 0.0 111.034 168.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.514 ' HB3' HMC1 ' A' ' 201' ' ' HEC . 66.5 m-20 -57.12 -36.8 71.09 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 120.256 1.389 . . . . 0.0 113.91 172.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 133' ' ' SER . 3.3 t80 -56.62 -45.13 81.66 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -59.18 -34.02 71.63 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.615 -0.678 . . . . 0.0 111.57 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.434 ' H ' ' HG ' ' A' ' 100' ' ' LEU . 1.4 mt -69.48 -51.03 39.77 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 124.821 1.249 . . . . 0.0 110.153 -178.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.641 HD21 HBB3 ' A' ' 201' ' ' HEC . 0.2 OUTLIER -62.27 -35.36 78.74 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 117.676 0.217 . . . . 0.0 110.812 176.079 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.7 m -66.62 -46.54 75.49 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.618 1.167 . . . . 0.0 113.146 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -49.4 -49.98 42.47 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.477 0.58 . . . . 0.0 109.781 162.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 72.7 m -58.65 -40.08 82.42 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 117.727 -1.13 . . . . 0.0 113.821 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.3 mt -59.62 -58.42 8.67 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 117.522 -1.227 . . . . 0.0 111.674 168.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -45.15 -46.25 11.86 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.537 1.135 . . . . 0.0 110.933 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.529 HG22 ' HA ' ' B' ' 112' ' ' CYS . 55.4 t -59.15 -52.19 63.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 174.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.7 m -64.23 -36.84 85.39 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 122.015 -0.428 . . . . 0.0 112.138 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.3 mt -60.54 -46.93 88.36 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.336 0.654 . . . . 0.0 109.327 172.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.56 70.51 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.96 -5.07 3.95 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 172.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -134.81 -26.64 1.34 Allowed 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.4 mp -91.84 165.95 19.08 Favored Pre-proline 0 CA--C 1.559 1.293 0 C-N-CA 125.695 1.598 . . . . 0.0 113.294 -177.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.48 -56.97 1.21 Allowed 'Trans proline' 0 C--N 1.361 1.234 0 C-N-CA 124.001 3.134 . . . . 0.0 115.124 -170.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.67 -50.77 2.07 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.391 1.476 . . . . 0.0 111.115 171.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 64.3 -22.36 0.07 Allowed 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 -171.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -98.18 13.77 30.04 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.155 1.782 . . . . 0.0 114.842 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.46 163.86 13.53 Favored Pre-proline 0 N--CA 1.488 1.431 0 CA-C-N 120.445 1.475 . . . . 0.0 110.397 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -56.91 -50.25 12.05 Favored 'Trans proline' 0 C--N 1.348 0.552 0 CA-C-N 121.561 1.593 . . . . 0.0 111.486 169.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.5 86.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.993 0.917 . . . . 0.0 112.185 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.4 t -89.35 -41.47 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 121.297 -0.877 . . . . 0.0 112.564 -177.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -72.46 -50.32 26.97 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 120.202 1.365 . . . . 0.0 112.391 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.99 -45.49 82.95 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 119.456 1.026 . . . . 0.0 110.07 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 31.1 t -56.87 -58.7 7.0 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 174.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 58.8 mt -68.54 -33.32 73.89 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 120.466 1.485 . . . . 0.0 112.493 -174.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -62.08 -49.7 74.88 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 120.22 1.373 . . . . 0.0 112.012 170.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -29.81 57.61 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -178.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -66.02 -55.02 18.77 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 125.313 1.445 . . . . 0.0 109.736 170.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -58.61 -40.81 84.33 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.248 0.931 . . . . 0.0 108.73 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.82 -41.15 67.03 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 119.403 -2.061 . . . . 0.0 114.299 170.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.8 p -72.02 -35.47 69.42 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.946 1.703 . . . . 0.0 113.761 173.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.78 -41.96 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-N 119.814 1.188 . . . . 0.0 109.716 167.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.47 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . 3.6 t -59.39 -58.22 9.57 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.382 1.073 . . . . 0.0 111.771 169.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 55.3 m -49.66 -38.58 33.1 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.722 1.609 . . . . 0.0 112.71 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 77.5 t -83.99 -40.88 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 124.455 1.102 . . . . 0.0 112.155 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -26.28 60.36 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.59 1.541 . . . . 0.0 112.394 164.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 4.9 t -105.93 21.37 17.41 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.648 1.579 . . . . 0.0 112.56 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.9 m -56.48 162.16 2.31 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.743 -1.223 . . . . 0.0 112.543 163.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -74.43 -150.38 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 126.134 1.774 . . . . 0.0 110.888 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -52.27 -21.69 3.71 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 173.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 . . . . . 0 C--O 1.253 1.265 0 C-N-CA 128.211 2.604 . . . . 0.0 111.029 176.602 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.306 2.6 p . . . . . 0 N--CA 1.516 2.836 0 CA-C-O 118.021 -0.99 . . . . 0.0 112.728 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 3.3 m80 31.32 63.4 0.22 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 128.109 2.564 . . . . 0.0 115.411 175.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.85 158.45 13.04 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 121.551 -0.718 . . . . 0.0 112.742 -175.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.23 148.74 95.88 Favored Pre-proline 0 N--CA 1.476 0.853 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.17 171.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -49.68 -41.91 44.51 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.5 2.8 . . . . 0.0 116.544 -177.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.54 -41.68 92.8 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.59 1.086 . . . . 0.0 113.152 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.37 -49.4 77.75 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.239 0.615 . . . . 0.0 110.448 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -55.06 -48.65 73.19 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.115 0.966 . . . . 0.0 111.103 175.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.7 t -55.37 -47.93 75.04 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.903 0.774 . . . . 0.0 111.151 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.36 -56.05 27.08 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.578 -0.701 . . . . 0.0 112.862 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.535 HG23 ' CE2' ' B' ' 130' ' ' TYR . 2.6 p -64.56 -42.75 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 120.027 1.285 . . . . 0.0 111.804 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -77.09 -29.82 55.13 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.067 0.849 . . . . 0.0 111.356 -173.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.11 -34.01 65.9 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.417 1.008 . . . . 0.0 112.52 171.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -39.59 93.46 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.189 -0.944 . . . . 0.0 110.516 169.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -56.66 -45.74 81.47 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.442 0.697 . . . . 0.0 112.314 167.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.01 -27.06 43.96 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.855 1.217 . . . . 0.0 115.919 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -102.61 -6.81 22.37 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 118.693 1.246 . . . . 0.0 113.524 173.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.87 134.32 27.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 124.108 0.963 . . . . 0.0 111.819 -172.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -83.2 81.71 8.58 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 175.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 96.0 t -51.52 -37.58 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -167.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -70.17 -34.06 72.53 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.206 1.402 . . . . 0.0 114.399 174.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -98.75 -43.11 6.91 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.086 -1.009 . . . . 0.0 111.995 -173.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.35 -32.77 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 119.272 0.942 . . . . 0.0 110.69 163.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.88 -47.85 10.99 Favored Glycine 0 C--N 1.342 0.895 0 CA-C-N 119.566 1.076 . . . . 0.0 111.87 176.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.25 -42.41 55.86 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 117.869 0.835 . . . . 0.0 113.217 169.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.57 -29.69 27.61 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 117.736 -1.126 . . . . 0.0 112.903 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.63 -56.9 13.58 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 121.378 1.899 . . . . 0.0 109.641 168.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.24 -44.17 89.06 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 118.78 -0.628 . . . . 0.0 109.866 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -47.44 -60.23 5.38 Favored Glycine 0 N--CA 1.47 0.927 0 C-N-CA 125.194 1.378 . . . . 0.0 113.954 165.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -47.68 -45.52 28.34 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.486 1.515 . . . . 0.0 112.215 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.408 HD23 ' HG ' ' B' ' 32' ' ' LEU . 0.3 OUTLIER -63.68 -56.17 17.79 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.664 0.786 . . . . 0.0 110.663 174.846 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.408 ' HG ' HD23 ' B' ' 31' ' ' LEU . 92.9 mt -57.49 -36.2 71.21 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.862 0.865 . . . . 0.0 113.097 -174.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.424 HG13 HG11 ' B' ' 54' ' ' VAL . 34.6 m -74.34 -10.91 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -176.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -69.71 0.28 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 CA-C-N 121.018 1.735 . . . . 0.0 111.7 171.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 50.48 36.36 0.34 Allowed Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 126.089 1.756 . . . . 0.0 114.216 -165.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -77.6 -177.53 3.92 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.115 1.876 . . . . 0.0 110.779 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -48.69 -25.35 1.75 Allowed 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 175.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 81.3 p -67.77 -23.58 65.24 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 120.454 -1.403 . . . . 0.0 113.368 175.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -56.93 -21.59 31.17 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-O 118.326 -0.845 . . . . 0.0 112.715 169.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -58.09 -25.15 60.96 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 121.657 2.026 . . . . 0.0 113.52 171.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' PHE . . . . . 0.45 ' HA ' ' HD3' ' C' ' 92' ' ' ARG . 0.2 OUTLIER -88.71 5.66 42.25 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 173.468 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -48.82 -30.77 6.12 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 176.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.83 -30.63 71.7 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 57.8 m -80.43 -32.05 37.42 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.22 0.918 . . . . 0.0 111.982 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -68.6 -36.95 79.38 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.393 1.077 . . . . 0.0 111.155 171.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.94 -18.67 4.84 Favored Glycine 0 CA--C 1.539 1.556 0 O-C-N 119.978 -1.701 . . . . 0.0 114.184 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -144.53 125.82 14.75 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.907 1.683 . . . . 0.0 110.018 172.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 tt -165.36 -27.75 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.726 1.21 . . . . 0.0 113.311 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 2.3 m -54.53 -10.18 0.39 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 128.34 2.656 . . . . 0.0 117.099 -171.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.2 p -142.7 165.38 26.96 Favored Pre-proline 0 N--CA 1.476 0.871 0 C-N-CA 127.168 2.187 . . . . 0.0 109.475 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -56.7 -55.31 2.82 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 121.673 1.582 . . . . 0.0 112.168 173.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -61.0 -36.89 80.69 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.057 0.543 . . . . 0.0 111.53 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.22 -56.16 25.42 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.918 0.887 . . . . 0.0 111.855 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.424 HG11 HG13 ' B' ' 33' ' ' VAL . 0.3 OUTLIER -72.79 -41.29 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 120.315 1.416 . . . . 0.0 113.339 -176.624 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 23.8 mmt -66.66 -33.72 76.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.151 0.58 . . . . 0.0 111.801 -175.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.2 3.99 62.23 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.567 1.079 . . . . 0.0 114.971 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.475 ' OD1' HG23 ' B' ' 60' ' ' VAL . 8.2 t-20 -72.2 114.67 31.39 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-N 119.604 1.702 . . . . 0.0 112.118 -176.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -57.55 -32.47 94.4 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.072 1.848 . . . . 0.0 112.869 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -71.57 -36.68 70.99 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.475 HG23 ' OD1' ' B' ' 57' ' ' ASN . 55.5 t -67.17 -40.9 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-N 120.699 1.59 . . . . 0.0 110.746 170.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -63.3 -51.45 65.99 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.201 0.91 . . . . 0.0 111.169 174.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.13 -48.88 77.59 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.922 1.289 . . . . 0.0 113.226 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -62.52 -40.05 95.52 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.693 -1.254 . . . . 0.0 111.544 174.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.09 -46.07 33.56 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.491 1.52 . . . . 0.0 113.154 166.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -60.02 -41.14 91.52 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.172 0.986 . . . . 0.0 112.221 173.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -68.04 -50.27 56.29 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.155 0.888 . . . . 0.0 112.607 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 3.8 m -59.8 -40.66 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 CA-C-N 118.997 0.817 . . . . 0.0 112.006 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 tt -83.29 -30.81 27.28 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.418 -0.802 . . . . 0.0 112.036 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.57 -44.41 93.87 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 120.511 -1.368 . . . . 0.0 111.735 168.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.71 -45.0 94.79 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.974 -0.721 . . . . 0.0 112.853 169.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.443 ' CE2' ' CE1' ' B' ' 130' ' ' TYR . 88.4 t80 -53.09 -38.38 62.5 Favored 'General case' 0 CA--C 1.55 0.969 0 O-C-N 120.715 -1.24 . . . . 0.0 113.023 171.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 6.0 t -69.29 -38.81 78.48 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.458 1.103 . . . . 0.0 113.376 172.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -56.1 -32.49 64.22 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.815 0.734 . . . . 0.0 111.256 168.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.27 -67.38 2.24 Favored Glycine 0 C--N 1.342 0.868 0 C-N-CA 124.735 1.159 . . . . 0.0 112.299 164.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.05 -21.61 32.74 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.49 -25.62 35.87 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.369 1.468 . . . . 0.0 114.203 171.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -146.04 48.61 1.21 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.688 1.595 . . . . 0.0 111.953 -168.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 97.9 mt -62.36 -19.45 63.39 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 120.201 -1.562 . . . . 0.0 113.52 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -59.79 -15.18 18.52 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 166.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -94.14 -90.71 0.2 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.248 1.019 . . . . 0.0 111.267 176.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 mm? 52.85 18.03 0.98 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -174.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -148.81 -25.55 0.31 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 128.169 2.587 . . . . 0.0 112.924 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -116.72 -41.44 0.72 Allowed Glycine 0 N--CA 1.48 1.626 0 C-N-CA 125.163 1.363 . . . . 0.0 114.652 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.4 p -61.05 -34.1 74.35 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 119.059 1.429 . . . . 0.0 113.326 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -97.53 -7.14 32.03 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 124.102 0.961 . . . . 0.0 113.02 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.33 -40.94 83.43 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 120.92 1.691 . . . . 0.0 114.467 -169.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 12.1 p -60.96 -35.5 76.94 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.044 0.938 . . . . 0.0 112.103 171.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 18.7 mt -70.37 -48.59 55.59 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.251 172.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -55.21 -37.19 66.79 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 121.038 1.744 . . . . 0.0 112.772 176.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.44 -55.84 21.0 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.127 1.771 . . . . 0.0 112.773 168.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 54.8 tp -51.65 -52.49 47.47 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.236 -0.915 . . . . 0.0 110.295 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -74.84 25.5 0.09 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 129.123 2.969 . . . . 0.0 113.569 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' CYS . . . . . 0.568 ' HB2' HG21 ' C' ' 41' ' ' THR . 5.0 p -152.78 -67.3 0.16 Allowed 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 118.682 -0.675 . . . . 0.0 112.073 154.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -53.27 -20.07 3.85 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.671 2.388 . . . . 0.0 114.908 -177.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -121.15 -22.54 6.05 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.443 1.497 . . . . 0.0 114.34 169.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 17.2 mt -138.35 85.12 2.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.776 2.03 . . . . 0.0 108.085 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -56.99 -27.93 61.96 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' VAL . . . . . 0.551 ' CG1' HBC2 ' B' ' 201' ' ' HEC . 0.9 OUTLIER -7.25 115.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 129.244 3.018 . . . . 0.0 115.195 169.235 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.65 140.6 96.49 Favored Pre-proline 0 CA--C 1.545 0.773 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -163.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' PRO . . . . . 0.43 ' HD3' ' CE2' ' B' ' 145' ' ' TYR . 52.5 Cg_endo -70.68 -12.43 31.14 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.435 2.757 . . . . 0.0 114.295 -174.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -45.08 -39.13 5.57 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.59 1.156 . . . . 0.0 111.906 159.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.05 -39.74 94.74 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.328 1.851 . . . . 0.0 111.55 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -68.06 -42.66 80.17 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.661 1.585 . . . . 0.0 111.231 177.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -55.67 -46.7 77.51 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.321 1.049 . . . . 0.0 110.77 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 18.3 mt -63.26 -49.99 71.92 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 117.313 -1.327 . . . . 0.0 112.835 175.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.448 HD12 HMC3 ' B' ' 201' ' ' HEC . 1.4 tt -54.72 -48.58 72.35 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 120.275 1.398 . . . . 0.0 110.402 178.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' GLY . . . . . 0.479 ' HA3' HG13 ' B' ' 134' ' ' VAL . . . -49.85 -60.18 6.74 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 124.034 0.826 . . . . 0.0 114.298 172.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -53.1 -48.47 67.77 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.824 0.821 . . . . 0.0 111.039 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 2.9 t -58.9 -38.87 75.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 125.282 1.433 . . . . 0.0 113.564 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 51.6 tp -55.94 -51.96 65.82 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.655 -0.688 . . . . 0.0 109.782 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -52.66 -40.18 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 118.551 0.614 . . . . 0.0 111.293 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' CYS . . . . . 0.529 ' HA ' HG22 ' A' ' 107' ' ' VAL . 11.5 m -61.7 -49.79 75.04 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 178.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 5.1 p -63.96 -36.24 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 119.512 1.051 . . . . 0.0 111.87 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.439 HD13 ' CZ ' ' B' ' 130' ' ' TYR . 5.1 mt -58.39 -43.64 88.63 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 119.329 0.968 . . . . 0.0 111.755 174.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -68.98 -27.08 65.39 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -63.18 -56.99 12.09 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 120.172 1.351 . . . . 0.0 110.537 164.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -68.55 -25.81 65.1 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.986 0.915 . . . . 0.0 112.41 -167.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -132.35 41.87 3.17 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.111 1.764 . . . . 0.0 111.104 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -56.76 -17.87 22.71 Favored Glycine 0 N--CA 1.477 1.391 0 C-N-CA 125.757 1.646 . . . . 0.0 117.093 -176.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -84.97 -1.9 57.29 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 118.371 1.086 . . . . 0.0 113.025 173.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -136.03 4.65 3.0 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.923 2.089 . . . . 0.0 112.305 -168.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -78.73 30.56 0.2 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 126.407 1.883 . . . . 0.0 115.786 -166.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 7.5 p -40.0 148.26 0.32 Allowed Pre-proline 0 N--CA 1.487 1.387 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 -163.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -44.15 -45.96 11.65 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.683 2.255 . . . . 0.0 115.645 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.12 -29.26 6.67 Favored 'Trans proline' 0 C--N 1.354 0.853 0 CA-C-O 116.06 -1.725 . . . . 0.0 114.435 173.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.65 -37.77 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 CA-C-N 123.66 2.936 . . . . 0.0 112.525 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -69.19 -44.67 71.68 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.372 0.669 . . . . 0.0 111.732 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.46 93.79 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 170.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.73 -49.08 78.92 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.353 1.061 . . . . 0.0 110.034 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.535 ' CE2' HG23 ' B' ' 11' ' ' VAL . 0.3 OUTLIER -49.76 -54.69 17.51 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.916 0.886 . . . . 0.0 111.833 166.518 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -37.51 71.94 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 118.247 -0.883 . . . . 0.0 112.824 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -62.88 -45.43 92.57 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 121.005 1.729 . . . . 0.0 112.516 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.67 -44.85 99.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 CA-C-N 118.786 0.721 . . . . 0.0 110.622 173.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.479 HG13 ' HA3' ' B' ' 107' ' ' GLY . 5.1 t -63.54 -47.65 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 125.628 1.571 . . . . 0.0 112.74 -177.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.55 91.24 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.605 1.162 . . . . 0.0 110.3 176.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.8 -53.77 28.21 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.977 162.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -45.59 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 119.268 1.534 . . . . 0.0 112.747 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.38 -45.18 85.09 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.657 -0.652 . . . . 0.0 111.198 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -61.64 -36.35 80.52 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.958 0.903 . . . . 0.0 112.293 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.12 -49.75 63.84 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.983 0.913 . . . . 0.0 111.406 176.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.58 -37.12 82.7 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.524 1.056 . . . . 0.0 111.601 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.64 -6.69 45.99 Favored 'General case' 0 CA--C 1.553 1.077 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 173.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -56.11 -42.35 76.67 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 119.832 -1.792 . . . . 0.0 112.7 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -63.46 -2.4 1.55 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.978 2.111 . . . . 0.0 114.718 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 145' ' ' TYR . . . . . 0.43 ' CE2' ' HD3' ' B' ' 100' ' ' PRO . 1.3 m-85 -99.84 6.79 45.31 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 127.457 2.303 . . . . 0.0 111.686 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.318 0 C-N-CA 127.662 2.385 . . . . 0.0 114.486 163.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.507 2.398 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 39.3 mt -142.08 -167.29 2.43 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.598 1.559 . . . . 0.0 112.803 -170.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.36 164.05 30.4 Favored Pre-proline 0 N--CA 1.476 0.834 0 C-N-CA 127.874 2.469 . . . . 0.0 111.007 -178.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.1 -44.27 0.13 Allowed 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.397 2.065 . . . . 0.0 113.152 -176.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.15 -31.99 71.95 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.586 -0.696 . . . . 0.0 112.371 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.54 -45.54 84.95 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.745 0.702 . . . . 0.0 110.93 176.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -53.73 -49.56 67.87 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.96 0.904 . . . . 0.0 110.699 175.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 53.4 m -55.98 -45.72 78.89 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.398 0.679 . . . . 0.0 112.059 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -67.46 -35.59 79.48 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.616 -0.677 . . . . 0.0 112.488 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 91.9 t -65.24 -51.16 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 118.645 0.657 . . . . 0.0 111.146 172.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.42 -41.14 84.36 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.159 0.984 . . . . 0.0 111.0 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.56 -53.94 51.46 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.49 0.716 . . . . 0.0 111.959 173.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.58 -54.64 43.55 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.466 0.575 . . . . 0.0 111.298 176.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -62.25 -26.2 68.25 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.53 -41.46 99.2 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.784 1.183 . . . . 0.0 113.785 172.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -22.11 39.87 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 118.631 1.216 . . . . 0.0 112.796 170.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.28 -44.25 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 117.962 -1.018 . . . . 0.0 111.717 168.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 40.29 -128.78 2.89 Favored Glycine 0 CA--C 1.541 1.697 0 C-N-CA 125.179 1.371 . . . . 0.0 115.551 168.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.85 -24.61 67.82 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.236 -1.155 . . . . 0.0 114.018 175.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -67.45 -12.63 60.75 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.129 1.371 . . . . 0.0 113.265 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.563 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -46.66 -50.05 18.31 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.702 1.201 . . . . 0.0 114.106 -177.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.16 -39.85 97.5 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-O 119.404 -0.664 . . . . 0.0 113.471 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.92 -40.76 91.75 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.032 0.916 . . . . 0.0 111.42 175.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -66.7 -38.67 87.21 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.212 -0.93 . . . . 0.0 112.1 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.62 -50.48 66.67 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-N 119.02 0.827 . . . . 0.0 112.279 169.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.01 -51.39 67.94 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.109 0.964 . . . . 0.0 112.511 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.84 -43.61 90.77 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.339 0.656 . . . . 0.0 112.128 174.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.7 77.71 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 118.822 0.737 . . . . 0.0 112.831 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' LEU . . . . . 0.41 ' HA ' ' HE3' ' C' ' 32' ' ' MET . 47.0 mt -67.25 -53.61 28.42 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.619 0.768 . . . . 0.0 111.742 174.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -55.63 -45.39 77.59 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.919 0.866 . . . . 0.0 112.2 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.483 HH12 ' HB ' ' C' ' 107' ' ' VAL . 10.7 mmm-85 -55.01 -48.35 73.48 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.261 1.425 . . . . 0.0 112.927 170.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 32' ' ' MET . . . . . 0.41 ' HE3' ' HA ' ' C' ' 29' ' ' LEU . 3.8 tmm? -60.85 -41.49 95.94 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.67 1.123 . . . . 0.0 111.85 176.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -59.38 -43.24 92.93 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.245 1.384 . . . . 0.0 113.71 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 30.5 mt -75.71 -46.89 28.59 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.113 0.565 . . . . 0.0 111.299 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 2.9 t -86.35 -7.77 58.21 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.02 1.728 . . . . 0.0 114.202 -170.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' PHE . . . . . 0.406 ' CG ' HD13 ' C' ' 100' ' ' LEU . 2.0 t80 -144.24 72.19 16.22 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 123.978 0.911 . . . . 0.0 109.876 174.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -44.25 -29.82 3.19 Favored 'Trans proline' 0 C--N 1.357 0.999 1 C-N-CA 125.488 4.125 . . . . 0.0 116.473 -170.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 2.8 m -44.88 -35.56 2.87 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 125.878 1.671 . . . . 0.0 114.588 170.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 38.5 p -67.16 -26.07 66.47 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 121.259 1.845 . . . . 0.0 113.417 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -62.38 -26.42 68.46 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.524 -1.36 . . . . 0.0 112.43 167.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' THR . . . . . 0.568 HG21 ' HB2' ' B' ' 93' ' ' CYS . 0.4 OUTLIER -65.26 -17.3 64.39 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 170.589 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -0.62 6.89 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 174.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 t80 48.12 59.82 16.26 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 125.219 1.408 . . . . 0.0 112.266 -171.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -55.02 133.64 59.26 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.145 1.896 . . . . 0.0 111.425 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -73.8 -11.24 60.32 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 172.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.9 155.54 30.41 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.682 1.993 . . . . 0.0 113.812 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.04 -33.67 17.06 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -176.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 35.3 mt 45.52 36.3 2.44 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 126.422 1.889 . . . . 0.0 114.159 -173.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 2.5 t -87.09 29.76 0.81 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.104 1.762 . . . . 0.0 114.261 -169.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 22.8 t60 61.99 137.92 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 127.583 2.353 . . . . 0.0 114.034 -166.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.98 15.95 58.96 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 124.628 1.109 . . . . 0.0 115.356 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 49.3 m -53.12 123.19 11.05 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.323 1.849 . . . . 0.0 115.013 -166.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.59 -29.22 64.3 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.106 1.363 . . . . 0.0 114.168 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -76.72 -36.39 57.2 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.59 -0.693 . . . . 0.0 112.772 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 39.8 t -72.72 -39.4 60.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 O-C-N 121.073 -1.017 . . . . 0.0 111.542 -178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -61.95 -39.57 92.56 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 119.7 1.136 . . . . 0.0 112.909 172.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.92 -47.18 40.33 Favored Glycine 0 N--CA 1.472 1.05 0 C-N-CA 124.107 0.86 . . . . 0.0 112.851 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -59.66 -44.27 93.62 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.97 -0.723 . . . . 0.0 111.041 171.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.28 -51.81 39.96 Favored Glycine 0 C--N 1.34 0.801 0 C-N-CA 124.992 1.282 . . . . 0.0 113.331 173.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -55.72 -40.73 72.86 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.069 1.434 . . . . 0.0 113.049 171.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -46.1 69.85 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.505 1.048 . . . . 0.0 113.197 178.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 88.4 t -56.04 -46.13 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.669 1.188 . . . . 0.0 110.346 171.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 63' ' ' ALA . . . . . 0.563 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -62.81 -46.86 86.01 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 177.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -63.62 -36.93 85.43 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.31 0.959 . . . . 0.0 111.866 175.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.44 -34.23 77.8 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 169.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.31 -45.02 93.28 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 120.103 1.32 . . . . 0.0 112.112 165.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 61.3 m -54.65 -44.65 73.42 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 120.659 1.572 . . . . 0.0 111.685 170.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -60.15 -40.99 91.8 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.295 1.038 . . . . 0.0 112.298 173.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.49 83.46 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 118.95 -0.547 . . . . 0.0 111.248 172.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 86.0 t -58.86 -44.93 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.743 1.156 . . . . 0.0 112.015 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.07 -23.2 67.24 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.166 1.387 . . . . 0.0 113.991 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -137.06 34.73 2.58 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 125.198 1.399 . . . . 0.0 111.285 -171.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 2.6 p -63.58 -21.57 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 O-C-N 119.489 -2.007 . . . . 0.0 115.458 -159.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -106.09 5.21 29.96 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 125.763 1.625 . . . . 0.0 112.987 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -133.84 -2.08 2.98 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 128.004 2.521 . . . . 0.0 112.413 -168.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 15.2 ptt? -73.02 -9.95 0.16 Allowed Pre-proline 0 CA--C 1.545 0.77 0 CA-C-O 114.176 -2.821 . . . . 0.0 118.029 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -38.88 -42.28 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 C-N-CA 123.898 3.066 . . . . 0.0 116.34 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -101.81 -18.3 15.82 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 171.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.93 -23.99 64.23 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 120.603 1.547 . . . . 0.0 114.134 -176.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 39.5 mt -96.4 7.47 46.4 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.561 0.744 . . . . 0.0 112.154 169.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 35.2 t -57.85 -40.09 79.28 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 120.061 1.301 . . . . 0.0 113.095 -174.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.45 -33.06 67.55 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.192 -0.942 . . . . 0.0 112.621 173.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.51 -34.54 35.57 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.496 1.118 . . . . 0.0 111.531 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 40.1 t -59.57 -51.66 68.89 Favored 'General case' 0 C--N 1.34 0.167 0 O-C-N 122.051 -0.406 . . . . 0.0 111.104 166.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.08 -37.68 72.22 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.472 1.109 . . . . 0.0 111.6 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.01 -71.41 0.09 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 118.017 -0.992 . . . . 0.0 111.314 161.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -19.19 63.92 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 120.017 1.281 . . . . 0.0 113.676 -165.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.84 -67.83 0.84 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.3 1.84 . . . . 0.0 110.312 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -64.84 -15.13 61.44 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -175.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -130.72 153.1 49.35 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.615 1.966 . . . . 0.0 110.442 169.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 21.8 mt 57.37 -17.54 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 118.057 2.614 . . . . 0.0 118.057 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 92' ' ' ARG . . . . . 0.45 ' HD3' ' HA ' ' B' ' 41' ' ' PHE . 0.0 OUTLIER 52.64 22.34 2.19 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 127.864 2.466 . . . . 0.0 117.058 -171.543 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 5.2 t -35.21 106.04 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.52 1.928 . . . . 0.0 112.748 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.88 123.84 76.91 Favored Pre-proline 0 CA--C 1.544 0.744 0 CA-C-O 118.455 -0.783 . . . . 0.0 111.06 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -55.54 -19.84 24.76 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.861 2.374 . . . . 0.0 114.551 175.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 74.6 t -57.91 -34.64 49.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 119.721 -1.862 . . . . 0.0 111.018 169.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 97' ' ' ASN . . . . . 0.52 ' HB3' HMC1 ' C' ' 201' ' ' HEC . 66.8 m-20 -57.13 -36.72 71.04 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 120.298 1.408 . . . . 0.0 113.943 172.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 98' ' ' PHE . . . . . 0.462 ' CD1' ' HB2' ' C' ' 133' ' ' SER . 3.3 t80 -56.72 -45.03 82.13 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -59.31 -33.86 71.62 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.488 -0.758 . . . . 0.0 111.554 -176.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 100' ' ' LEU . . . . . 0.426 ' H ' ' HG ' ' C' ' 100' ' ' LEU . 1.4 mt -69.61 -51.14 37.77 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 124.898 1.279 . . . . 0.0 110.069 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 101' ' ' LEU . . . . . 0.641 HD21 HBB3 ' C' ' 201' ' ' HEC . 0.2 OUTLIER -62.29 -35.39 78.87 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 117.805 0.275 . . . . 0.0 110.756 176.198 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 66.4 m -66.53 -46.5 75.95 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.432 1.093 . . . . 0.0 113.254 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -49.25 -49.92 41.12 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.637 0.653 . . . . 0.0 109.857 162.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 73.9 m -58.8 -40.11 83.11 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 117.698 -1.144 . . . . 0.0 113.819 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 60.6 mt -59.48 -58.54 8.14 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 117.397 -1.287 . . . . 0.0 111.683 168.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 mt -45.07 -46.3 11.48 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.395 1.078 . . . . 0.0 110.957 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 107' ' ' VAL . . . . . 0.529 HG22 ' HA ' ' D' ' 112' ' ' CYS . 55.1 t -58.95 -52.44 60.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 174.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 87.1 m -63.97 -37.04 85.97 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.966 -0.459 . . . . 0.0 112.213 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 mt -60.42 -46.86 88.49 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.411 0.684 . . . . 0.0 109.36 172.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.52 70.68 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 177.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.75 -5.3 3.98 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 172.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -134.72 -26.67 1.36 Allowed 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 -176.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.4 mp -91.97 165.87 19.12 Favored Pre-proline 0 CA--C 1.556 1.205 0 C-N-CA 125.66 1.584 . . . . 0.0 113.339 -177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -58.4 -56.66 1.41 Allowed 'Trans proline' 0 C--N 1.363 1.307 0 C-N-CA 123.937 3.091 . . . . 0.0 115.24 -170.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.94 -50.95 2.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.338 1.455 . . . . 0.0 111.007 171.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 64.38 -22.31 0.07 Allowed 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -171.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -98.26 13.71 30.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.188 1.795 . . . . 0.0 114.89 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.5 163.87 13.61 Favored Pre-proline 0 N--CA 1.487 1.41 0 CA-C-N 120.349 1.431 . . . . 0.0 110.279 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -56.89 -50.17 12.32 Favored 'Trans proline' 0 C--N 1.351 0.695 0 CA-C-N 121.589 1.603 . . . . 0.0 111.592 169.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.6 87.09 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.018 0.927 . . . . 0.0 112.06 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 39.1 t -89.27 -41.42 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.273 -0.892 . . . . 0.0 112.581 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -72.38 -50.53 25.93 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.23 1.377 . . . . 0.0 112.282 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.34 83.41 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.319 0.963 . . . . 0.0 110.001 175.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 30.9 t -56.94 -58.68 7.12 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-O 118.4 -0.81 . . . . 0.0 113.181 174.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 59.0 mt -68.53 -33.3 73.88 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 120.483 1.492 . . . . 0.0 112.497 -174.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.17 -49.65 74.98 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 120.164 1.347 . . . . 0.0 112.051 170.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.14 -29.97 58.0 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -178.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -65.93 -54.94 19.95 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 125.19 1.396 . . . . 0.0 109.892 170.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -58.74 -40.75 84.73 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.214 0.915 . . . . 0.0 108.734 175.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.64 -41.34 66.66 Favored 'General case' 0 CA--C 1.55 0.978 0 O-C-N 119.391 -2.068 . . . . 0.0 114.23 170.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 28.4 p -71.87 -35.78 69.9 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 120.929 1.695 . . . . 0.0 113.672 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 56.3 t -56.7 -41.93 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 119.823 1.192 . . . . 0.0 109.627 167.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 133' ' ' SER . . . . . 0.462 ' HB2' ' CD1' ' C' ' 98' ' ' PHE . 3.6 t -59.33 -58.42 8.71 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.587 1.155 . . . . 0.0 111.671 169.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 55.3 m -49.65 -38.56 32.81 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.732 1.613 . . . . 0.0 112.612 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 76.4 t -83.93 -40.88 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 124.491 1.116 . . . . 0.0 112.303 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -26.35 60.48 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.533 1.515 . . . . 0.0 112.244 164.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 4.9 t -105.9 21.39 17.38 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.717 1.607 . . . . 0.0 112.591 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 27.1 m -56.41 162.18 2.26 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.75 -1.219 . . . . 0.0 112.483 163.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -74.41 -150.49 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 126.171 1.788 . . . . 0.0 110.828 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -52.17 -21.82 3.69 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 173.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 128.302 2.641 . . . . 0.0 111.007 176.653 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.303 2.6 p . . . . . 0 N--CA 1.519 2.985 0 CA-C-O 117.985 -1.007 . . . . 0.0 112.711 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 3.3 m80 31.35 63.31 0.22 Allowed 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 128.082 2.553 . . . . 0.0 115.375 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 158.38 13.04 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 121.567 -0.708 . . . . 0.0 112.78 -175.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.36 148.62 95.62 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.121 171.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -49.54 -41.87 43.5 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 123.399 2.733 . . . . 0.0 116.625 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.6 -41.73 92.44 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.714 1.143 . . . . 0.0 113.152 174.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.21 -49.59 77.03 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.408 0.683 . . . . 0.0 110.385 172.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -54.78 -48.9 72.12 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.063 0.945 . . . . 0.0 111.176 175.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -55.13 -48.05 74.19 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.935 0.789 . . . . 0.0 111.202 175.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.29 -56.04 27.25 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.451 -0.78 . . . . 0.0 112.93 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' VAL . . . . . 0.543 HG23 ' CE2' ' D' ' 130' ' ' TYR . 2.6 p -64.61 -42.66 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 119.973 1.26 . . . . 0.0 111.812 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -77.29 -29.75 53.93 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.016 0.825 . . . . 0.0 111.251 -173.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.17 -33.91 65.71 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.548 1.067 . . . . 0.0 112.439 171.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -39.19 92.23 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.167 -0.958 . . . . 0.0 110.664 169.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -56.81 -45.65 82.12 Favored 'General case' 0 C--O 1.21 -0.978 0 C-N-CA 123.489 0.715 . . . . 0.0 112.52 166.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.83 -27.37 43.66 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 124.829 1.204 . . . . 0.0 115.949 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -102.45 -6.97 22.34 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.671 1.236 . . . . 0.0 113.553 173.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.75 134.17 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 124.174 0.989 . . . . 0.0 111.852 -172.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -83.11 81.71 8.57 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 96.3 t -51.5 -37.56 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 119.766 1.166 . . . . 0.0 114.087 -167.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -70.27 -34.11 72.41 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.07 1.348 . . . . 0.0 114.347 174.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -98.61 -43.01 7.0 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.135 -0.978 . . . . 0.0 112.223 -173.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.44 -32.83 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 121.241 -0.912 . . . . 0.0 110.755 163.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.71 -48.11 10.88 Favored Glycine 0 C--N 1.344 1.006 0 CA-C-N 119.585 1.084 . . . . 0.0 111.857 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.01 -42.57 54.54 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 117.899 0.849 . . . . 0.0 113.127 169.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.54 -29.44 27.87 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-O 117.783 -1.103 . . . . 0.0 112.839 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.93 -56.8 14.01 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 121.401 1.909 . . . . 0.0 109.355 168.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.42 -44.09 88.49 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 118.813 -0.613 . . . . 0.0 109.808 -176.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -47.53 -60.17 5.47 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 125.055 1.312 . . . . 0.0 113.965 165.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -47.7 -45.45 28.5 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.496 1.518 . . . . 0.0 112.146 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 31' ' ' LEU . . . . . 0.421 HD23 ' HG ' ' D' ' 32' ' ' LEU . 0.3 OUTLIER -63.87 -56.14 17.57 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.724 0.809 . . . . 0.0 110.579 174.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 32' ' ' LEU . . . . . 0.421 ' HG ' HD23 ' D' ' 31' ' ' LEU . 93.4 mt -57.52 -36.04 71.06 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -175.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 33' ' ' VAL . . . . . 0.429 HG13 HG11 ' D' ' 54' ' ' VAL . 34.6 m -74.3 -10.89 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 116.172 1.916 . . . . 0.0 116.172 -177.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.66 0.22 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 120.953 1.706 . . . . 0.0 111.72 171.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 50.56 36.29 0.34 Allowed Pre-proline 0 CA--C 1.556 1.175 0 C-N-CA 125.976 1.71 . . . . 0.0 114.291 -165.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -77.51 -177.63 3.99 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.184 1.923 . . . . 0.0 110.862 -176.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -48.7 -25.32 1.74 Allowed 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 175.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 81.0 p -67.66 -23.51 65.33 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 120.443 -1.41 . . . . 0.0 113.324 175.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -56.76 -21.57 29.34 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 118.279 -0.867 . . . . 0.0 112.911 169.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -58.17 -25.34 61.41 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.631 2.014 . . . . 0.0 113.649 171.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 41' ' ' PHE . . . . . 0.435 ' HA ' ' HD3' ' A' ' 92' ' ' ARG . 0.2 OUTLIER -88.57 5.59 42.07 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 173.409 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -48.77 -30.91 6.19 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 176.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.69 -30.65 71.73 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 58.0 m -80.56 -31.99 36.73 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 119.218 0.917 . . . . 0.0 111.793 174.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -68.75 -36.82 78.84 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.344 1.058 . . . . 0.0 111.081 171.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.9 -18.57 4.88 Favored Glycine 0 CA--C 1.539 1.543 0 O-C-N 120.067 -1.646 . . . . 0.0 114.165 176.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -144.51 126.48 15.43 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.906 1.682 . . . . 0.0 110.048 171.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 tt -165.92 -27.79 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.907 1.283 . . . . 0.0 113.222 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 2.3 m -54.56 -10.02 0.38 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 128.278 2.631 . . . . 0.0 117.159 -171.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 2.2 p -142.87 165.26 27.38 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 127.242 2.217 . . . . 0.0 109.469 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.6 -55.4 2.78 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 121.74 1.627 . . . . 0.0 112.13 173.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -60.93 -36.9 80.53 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.169 0.588 . . . . 0.0 111.593 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.13 -56.28 23.8 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.885 0.874 . . . . 0.0 111.821 174.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 54' ' ' VAL . . . . . 0.429 HG11 HG13 ' D' ' 33' ' ' VAL . 0.3 OUTLIER -72.83 -41.24 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 120.159 1.345 . . . . 0.0 113.333 -176.573 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 23.8 mmt -66.6 -33.81 76.5 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.149 0.58 . . . . 0.0 111.776 -175.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.08 3.9 62.4 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.665 1.126 . . . . 0.0 115.009 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 57' ' ' ASN . . . . . 0.481 ' OD1' HG23 ' D' ' 60' ' ' VAL . 8.2 t-20 -72.47 114.92 34.2 Favored Pre-proline 0 CA--C 1.542 0.637 0 CA-C-N 119.589 1.694 . . . . 0.0 112.037 -175.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -57.36 -33.18 95.76 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.165 1.91 . . . . 0.0 112.797 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -71.08 -36.53 72.27 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 60' ' ' VAL . . . . . 0.481 HG23 ' OD1' ' D' ' 57' ' ' ASN . 55.8 t -67.45 -40.69 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 CA-C-N 120.648 1.567 . . . . 0.0 110.68 170.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -63.38 -51.49 65.63 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.269 0.941 . . . . 0.0 111.107 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.1 -48.8 77.72 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.898 1.279 . . . . 0.0 113.361 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -62.78 -39.69 94.97 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.756 -1.215 . . . . 0.0 111.626 174.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.37 -46.01 36.05 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.408 1.48 . . . . 0.0 113.128 166.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -59.81 -41.23 90.8 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.255 1.028 . . . . 0.0 112.385 173.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -67.92 -50.34 56.64 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.033 0.833 . . . . 0.0 112.599 178.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 3.8 m -59.84 -40.64 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 CA-C-N 119.013 0.824 . . . . 0.0 112.081 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 tt -83.39 -30.81 27.07 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.402 -0.811 . . . . 0.0 111.901 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.55 -44.38 93.84 Favored Glycine 0 CA--C 1.533 1.191 0 O-C-N 120.45 -1.406 . . . . 0.0 111.773 168.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.8 95.17 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 169.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 71' ' ' PHE . . . . . 0.439 ' CE2' ' CE1' ' D' ' 130' ' ' TYR . 88.5 t80 -53.32 -38.37 63.14 Favored 'General case' 0 CA--C 1.549 0.917 0 O-C-N 120.771 -1.205 . . . . 0.0 112.877 171.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 6.0 t -69.33 -38.69 78.31 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.404 1.082 . . . . 0.0 113.387 172.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -56.18 -32.45 64.35 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.836 0.743 . . . . 0.0 111.212 168.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.21 -67.44 2.21 Favored Glycine 0 C--N 1.34 0.756 0 C-N-CA 124.789 1.185 . . . . 0.0 112.325 164.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.09 -21.65 33.6 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.41 -25.6 36.06 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.381 1.472 . . . . 0.0 114.295 171.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -145.99 48.74 1.21 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.68 1.592 . . . . 0.0 111.956 -168.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 98.2 mt -62.57 -19.43 63.68 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 120.125 -1.61 . . . . 0.0 113.366 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -59.82 -15.13 18.4 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.458 1.503 . . . . 0.0 115.043 166.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -94.26 -90.69 0.21 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.091 0.956 . . . . 0.0 111.203 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 mm? 52.74 18.16 0.97 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -174.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -148.81 -25.69 0.31 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 128.131 2.572 . . . . 0.0 112.801 -176.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -116.61 -41.46 0.73 Allowed Glycine 0 N--CA 1.48 1.601 0 C-N-CA 125.231 1.396 . . . . 0.0 114.67 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.3 p -61.1 -34.18 74.53 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 119.08 1.44 . . . . 0.0 113.296 175.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -97.47 -7.12 32.26 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 124.164 0.986 . . . . 0.0 112.972 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.48 -40.81 83.78 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 121.046 1.748 . . . . 0.0 114.433 -169.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 11.9 p -61.08 -35.41 76.91 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.121 0.968 . . . . 0.0 112.022 171.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 18.8 mt -70.55 -48.44 55.38 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-O 117.851 -1.071 . . . . 0.0 110.294 172.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -55.12 -37.36 66.79 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 121.104 1.775 . . . . 0.0 112.726 176.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.49 -55.57 23.04 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.12 1.768 . . . . 0.0 112.883 168.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 54.6 tp -51.84 -52.54 48.67 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.234 -0.916 . . . . 0.0 110.177 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -74.74 25.5 0.09 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 129.062 2.945 . . . . 0.0 113.567 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 93' ' ' CYS . . . . . 0.542 ' HB2' HG21 ' A' ' 41' ' ' THR . 4.8 p -152.86 -67.3 0.16 Allowed 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 118.685 -0.674 . . . . 0.0 112.028 154.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -53.35 -20.16 4.14 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 127.715 2.406 . . . . 0.0 114.805 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -121.04 -22.73 6.04 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.404 1.481 . . . . 0.0 114.279 169.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 16.8 mt -138.22 85.07 2.07 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.841 2.057 . . . . 0.0 108.243 -177.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -56.89 -27.99 61.34 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 98' ' ' VAL . . . . . 0.547 ' CG1' HBC2 ' D' ' 201' ' ' HEC . 0.9 OUTLIER -7.26 115.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 129.299 3.04 . . . . 0.0 115.158 169.273 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.62 140.58 96.52 Favored Pre-proline 0 CA--C 1.546 0.793 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -163.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 100' ' ' PRO . . . . . 0.434 ' HD3' ' CE2' ' D' ' 145' ' ' TYR . 52.6 Cg_endo -70.71 -12.27 30.84 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.372 2.714 . . . . 0.0 114.305 -174.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -45.12 -39.24 5.79 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.668 1.187 . . . . 0.0 111.781 159.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -63.99 -39.59 94.46 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.245 1.818 . . . . 0.0 111.588 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -68.21 -42.67 79.49 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.865 1.666 . . . . 0.0 111.142 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -55.7 -46.7 77.61 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.308 1.043 . . . . 0.0 110.796 174.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 18.3 mt -63.18 -49.92 72.37 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 117.327 -1.32 . . . . 0.0 112.928 175.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 106' ' ' LEU . . . . . 0.44 HD12 HMC3 ' D' ' 201' ' ' HEC . 1.4 tt -54.86 -48.16 73.28 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 120.293 1.406 . . . . 0.0 110.398 178.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 107' ' ' GLY . . . . . 0.489 ' HA3' HG13 ' D' ' 134' ' ' VAL . . . -50.61 -59.82 7.5 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 123.93 0.776 . . . . 0.0 114.06 172.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -53.07 -48.46 67.7 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 122.006 0.908 . . . . 0.0 110.963 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.12 -38.48 74.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 125.343 1.457 . . . . 0.0 113.572 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 50.7 tp -56.39 -51.86 66.75 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.377 0.671 . . . . 0.0 109.642 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -52.62 -40.24 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 118.551 0.614 . . . . 0.0 111.267 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 112' ' ' CYS . . . . . 0.529 ' HA ' HG22 ' C' ' 107' ' ' VAL . 11.7 m -61.67 -50.02 74.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 178.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 5.3 p -63.6 -36.23 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 119.508 1.049 . . . . 0.0 112.067 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 114' ' ' LEU . . . . . 0.432 HD13 ' CZ ' ' D' ' 130' ' ' TYR . 5.1 mt -58.53 -43.51 89.24 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.056 0.844 . . . . 0.0 111.821 174.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.09 -26.97 65.2 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 173.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -63.2 -57.05 11.8 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 120.203 1.365 . . . . 0.0 110.5 164.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -68.52 -25.85 65.15 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.005 0.922 . . . . 0.0 112.432 -167.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -132.23 41.72 3.2 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.199 1.8 . . . . 0.0 111.208 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -56.69 -18.0 22.68 Favored Glycine 0 N--CA 1.477 1.43 0 C-N-CA 125.775 1.655 . . . . 0.0 117.017 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -84.79 -1.97 57.07 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 118.372 1.086 . . . . 0.0 113.084 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -136.13 4.68 2.98 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.857 2.063 . . . . 0.0 112.216 -168.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -78.62 30.55 0.19 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 126.47 1.908 . . . . 0.0 115.794 -166.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 7.4 p -40.15 148.37 0.33 Allowed Pre-proline 0 N--CA 1.486 1.353 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -163.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -44.08 -46.09 11.41 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.698 2.265 . . . . 0.0 115.664 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.94 -29.36 6.88 Favored 'Trans proline' 0 C--N 1.353 0.812 0 CA-C-O 116.162 -1.683 . . . . 0.0 114.463 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.69 -37.85 80.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 CA-C-N 123.663 2.938 . . . . 0.0 112.567 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -69.07 -44.91 71.62 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.363 0.665 . . . . 0.0 111.773 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.64 92.9 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 169.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.38 77.46 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.146 0.978 . . . . 0.0 109.988 176.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 130' ' ' TYR . . . . . 0.543 ' CE2' HG23 ' D' ' 11' ' ' VAL . 0.3 OUTLIER -49.5 -54.71 16.37 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.925 0.89 . . . . 0.0 111.735 166.738 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -37.48 71.89 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 118.318 -0.848 . . . . 0.0 112.737 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -63.2 -45.26 92.56 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.951 1.705 . . . . 0.0 112.35 175.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.79 -44.72 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 CA-C-N 118.853 0.752 . . . . 0.0 110.639 173.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 134' ' ' VAL . . . . . 0.489 HG13 ' HA3' ' D' ' 107' ' ' GLY . 5.1 t -63.61 -47.58 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.577 1.551 . . . . 0.0 112.658 -177.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.43 91.2 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.557 1.143 . . . . 0.0 110.405 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.79 -53.91 27.53 Favored Glycine 0 C--N 1.343 0.958 0 CA-C-O 119.12 -0.822 . . . . 0.0 113.067 162.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -56.9 -45.75 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 119.267 1.533 . . . . 0.0 112.78 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.28 -45.1 85.79 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.618 -0.676 . . . . 0.0 111.272 177.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -61.86 -36.07 80.16 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.981 0.913 . . . . 0.0 112.237 174.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.34 -49.69 63.04 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 124.064 0.946 . . . . 0.0 111.335 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.61 -36.98 82.28 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.645 1.112 . . . . 0.0 111.662 174.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.72 -6.65 46.0 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 114.989 1.478 . . . . 0.0 114.989 173.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -56.08 -42.41 76.67 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 119.909 -1.745 . . . . 0.0 112.659 -177.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -63.46 -2.29 1.51 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.931 2.092 . . . . 0.0 114.724 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 145' ' ' TYR . . . . . 0.434 ' CE2' ' HD3' ' D' ' 100' ' ' PRO . 1.3 m-85 -100.0 6.68 45.08 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 127.508 2.323 . . . . 0.0 111.51 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.365 0 C-N-CA 127.653 2.381 . . . . 0.0 114.437 163.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.641 HBB3 HD21 ' A' ' 101' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 201' ' ' HEC . . . . . 0.551 HBC2 ' CG1' ' B' ' 98' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 201' ' ' HEC . . . . . 0.641 HBB3 HD21 ' C' ' 101' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 201' ' ' HEC . . . . . 0.547 HBC2 ' CG1' ' D' ' 98' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 24.3 m . . . . . 0 N--CA 1.507 2.377 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.461 HD13 HG22 ' A' ' 73' ' ' VAL . 5.1 mp -140.56 -171.11 3.15 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 119.974 -1.704 . . . . 0.0 110.749 172.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 p -112.76 141.3 25.17 Favored Pre-proline 0 N--CA 1.476 0.853 0 C-N-CA 126.188 1.795 . . . . 0.0 112.033 -176.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.25 -48.74 20.2 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 124.049 3.166 . . . . 0.0 116.126 -169.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.2 -40.0 92.34 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 122.155 -0.34 . . . . 0.0 111.5 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.98 -39.87 95.09 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.79 0.436 . . . . 0.0 111.062 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -55.91 -49.9 72.18 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.628 0.649 . . . . 0.0 110.991 171.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.7 m -59.37 -44.66 92.69 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.63 0.772 . . . . 0.0 111.79 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -62.18 -41.79 98.66 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.56 -0.713 . . . . 0.0 111.975 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.2 t -61.15 -49.16 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.841 1.256 . . . . 0.0 111.463 173.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -58.44 -46.45 86.52 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 118.912 0.778 . . . . 0.0 111.637 175.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.91 -52.6 64.83 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.467 0.707 . . . . 0.0 111.514 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.88 -51.88 67.33 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.307 0.643 . . . . 0.0 111.954 177.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -64.01 -28.03 69.52 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.501 -0.749 . . . . 0.0 112.994 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.05 -42.45 99.59 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.497 1.046 . . . . 0.0 113.256 170.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -70.25 -35.08 73.58 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.664 1.232 . . . . 0.0 111.365 174.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.46 -50.47 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.043 0.937 . . . . 0.0 111.595 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.55 -139.15 9.64 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.02 0.819 . . . . 0.0 114.23 178.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.11 -22.44 50.86 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -69.94 -6.57 33.95 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 174.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.68 -47.15 29.71 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.416 1.007 . . . . 0.0 113.158 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.33 -37.89 95.56 Favored Glycine 0 N--CA 1.471 0.989 0 O-C-N 121.979 -0.45 . . . . 0.0 113.579 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -63.84 -46.15 86.36 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.953 0.901 . . . . 0.0 110.76 174.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -68.6 -36.86 79.25 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.35 -51.52 58.29 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 118.849 0.749 . . . . 0.0 112.164 170.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.69 -50.47 68.19 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.522 0.729 . . . . 0.0 111.617 175.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -67.78 -35.62 79.0 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -177.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.85 83.44 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.098 0.863 . . . . 0.0 112.674 172.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.4 mt -64.37 -51.45 63.22 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.698 0.681 . . . . 0.0 111.534 173.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -57.28 -46.05 83.5 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.026 0.83 . . . . 0.0 112.257 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.5 ttm105 -58.81 -47.31 85.23 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 125.075 1.35 . . . . 0.0 111.64 174.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 61.8 ttp -53.49 -46.33 69.96 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.515 1.052 . . . . 0.0 112.922 173.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -61.34 -17.47 54.01 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 174.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.1 mt -100.63 -46.53 5.15 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.387 1.075 . . . . 0.0 110.299 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.2 m -68.07 -29.2 68.1 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 126.926 2.09 . . . . 0.0 114.668 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -135.15 76.12 58.4 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 125.861 1.664 . . . . 0.0 109.826 -177.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -46.64 -25.6 3.7 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 124.74 3.626 . . . . 0.0 115.476 -178.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.591 ' O ' HG22 ' A' ' 41' ' ' THR . 3.9 m -46.28 -38.74 8.99 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.848 1.659 . . . . 0.0 114.508 170.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.8 p -65.12 -31.42 72.61 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 119.695 -1.878 . . . . 0.0 112.349 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -58.57 -34.58 71.21 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.983 1.313 . . . . 0.0 112.344 173.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.596 HG21 ' SG ' ' D' ' 93' ' ' CYS . 0.6 OUTLIER -65.87 -19.06 65.74 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 179.147 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.583 ' CE2' HG22 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -67.4 -9.52 42.38 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 121.212 -0.93 . . . . 0.0 113.237 175.781 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 46.71 64.36 8.49 Favored Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 124.927 1.291 . . . . 0.0 112.352 -168.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -47.81 145.02 10.44 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 123.869 3.046 . . . . 0.0 114.861 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.46 4.45 4.79 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 -175.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.88 -175.94 3.95 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.752 1.621 . . . . 0.0 113.406 -168.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -122.67 142.8 50.28 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.88 1.272 . . . . 0.0 111.179 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -145.62 31.29 1.08 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.923 1.289 . . . . 0.0 113.114 -165.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.5 t -73.81 38.4 0.1 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.609 1.964 . . . . 0.0 114.347 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.1 m170 63.24 147.13 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 129.0 2.92 . . . . 0.0 114.385 -170.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.91 17.5 51.12 Favored Glycine 0 CA--C 1.543 1.813 0 C-N-CA 124.522 1.058 . . . . 0.0 115.551 -176.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -62.31 133.01 54.53 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.775 1.23 . . . . 0.0 113.562 -170.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.69 -27.47 67.89 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.107 1.363 . . . . 0.0 113.266 171.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -82.94 -40.72 19.74 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.437 0.695 . . . . 0.0 111.471 177.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.92 -41.69 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 O-C-N 121.489 -0.757 . . . . 0.0 111.962 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -62.12 -38.86 90.54 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 119.783 1.174 . . . . 0.0 112.696 175.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.63 -53.49 27.73 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 124.174 0.893 . . . . 0.0 111.936 176.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -56.2 -44.68 79.72 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 117.661 0.731 . . . . 0.0 111.56 174.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.52 -48.68 64.02 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.281 0.943 . . . . 0.0 114.123 172.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -56.18 -42.93 77.87 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 118.55 1.175 . . . . 0.0 112.926 170.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.46 -42.02 68.68 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.063 0.847 . . . . 0.0 111.157 -178.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.8 t -55.4 -49.07 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.723 1.209 . . . . 0.0 110.437 169.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.28 86.94 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -63.77 -39.16 93.59 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.127 0.876 . . . . 0.0 112.253 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.05 81.68 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.421 -0.799 . . . . 0.0 112.626 169.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.94 -42.88 94.29 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.38 -0.825 . . . . 0.0 111.635 170.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.9 m -57.39 -44.38 84.44 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.851 1.205 . . . . 0.0 111.96 171.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -58.47 -47.66 83.33 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.804 0.842 . . . . 0.0 110.933 171.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.21 -32.08 70.77 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 174.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.2 t -71.89 -48.79 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 120.125 1.33 . . . . 0.0 110.679 171.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.47 -27.8 67.83 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.217 1.407 . . . . 0.0 113.588 -177.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -124.07 28.03 6.93 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 125.572 1.549 . . . . 0.0 112.105 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.461 HG22 HD13 ' A' ' 2' ' ' LEU . 14.3 p -50.32 -37.21 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 115.17 1.544 . . . . 0.0 115.17 -171.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -103.34 9.48 37.92 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -142.03 33.8 1.55 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.003 2.121 . . . . 0.0 111.122 -171.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.0 ptt? -116.49 55.75 1.39 Allowed Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 125.711 1.605 . . . . 0.0 113.178 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -65.15 -37.25 33.1 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 122.028 1.818 . . . . 0.0 112.269 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -142.76 19.3 2.0 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.532 1.533 . . . . 0.0 113.08 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.81 -10.36 36.98 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 120.131 -1.605 . . . . 0.0 114.548 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.1 mt -113.41 17.67 18.28 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.943 1.697 . . . . 0.0 111.55 171.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.0 t -56.83 -38.74 73.05 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.601 1.16 . . . . 0.0 112.746 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.15 -28.8 59.38 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 173.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mt -84.0 -41.94 16.74 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.007 0.923 . . . . 0.0 111.395 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.4 t -54.81 -42.55 71.98 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 122.682 0.393 . . . . 0.0 111.08 166.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -63.07 -45.81 90.4 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.004 1.322 . . . . 0.0 112.315 174.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.91 -44.82 70.86 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.885 0.766 . . . . 0.0 111.364 173.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -67.51 -63.27 1.09 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.458 0.572 . . . . 0.0 110.888 174.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.06 -30.92 71.97 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -169.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -103.18 2.45 34.5 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.165 0.986 . . . . 0.0 113.159 -171.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -149.76 -32.68 0.2 Allowed 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -174.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 97.2 mt -124.92 -117.91 0.28 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.063 1.745 . . . . 0.0 107.872 168.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 155.64 48.03 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.263 0 C-N-CA 130.495 3.518 . . . . 0.0 113.206 163.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.583 HG22 ' CE2' ' A' ' 42' ' ' TYR . 23.9 t -68.65 140.17 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 O-C-N 120.584 -1.322 . . . . 0.0 112.692 -169.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.71 143.03 51.58 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 126.365 1.866 . . . . 0.0 113.629 175.054 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.63 -22.14 65.74 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.951 2.434 . . . . 0.0 113.251 165.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 36.9 t -52.38 -46.57 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 O-C-N 120.776 -1.203 . . . . 0.0 110.756 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -60.99 -40.97 95.55 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.896 0.771 . . . . 0.0 112.189 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 3.3 t80 -54.06 -46.78 72.06 Favored 'General case' 0 C--N 1.343 0.287 0 O-C-N 121.539 -0.725 . . . . 0.0 111.264 173.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -56.67 -34.8 67.71 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 118.73 0.695 . . . . 0.0 111.741 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.0 mt -63.77 -52.05 62.1 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.149 0.979 . . . . 0.0 110.678 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -41.44 92.94 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.305 1.042 . . . . 0.0 111.99 174.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.0 t -54.3 -52.17 62.3 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.805 1.242 . . . . 0.0 111.927 173.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -58.3 -42.39 86.54 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.197 -0.939 . . . . 0.0 111.246 173.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 87.6 m -70.16 -9.34 55.38 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 175.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.5 mt -92.13 -47.81 7.05 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.139 1.776 . . . . 0.0 111.767 168.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 54.5 mt -51.22 -46.85 62.38 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.611 1.165 . . . . 0.0 111.128 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.475 HG23 ' HA ' ' B' ' 112' ' ' CYS . 7.1 p -52.55 -44.8 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 169.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -64.1 -43.18 96.16 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 123.314 0.646 . . . . 0.0 111.029 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.4 -45.92 88.82 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.41 -32.19 64.6 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.95 -17.61 62.06 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 175.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -118.99 -30.41 5.02 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -174.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.6 mp -78.34 175.91 4.17 Favored Pre-proline 0 CA--C 1.554 1.132 0 C-N-CA 124.55 1.14 . . . . 0.0 110.835 172.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.49 -154.46 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.653 3.569 . . . . 0.0 113.316 156.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.39 57.95 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.779 1.632 . . . . 0.0 114.488 174.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -42.47 -27.61 0.17 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 127.772 2.429 . . . . 0.0 114.249 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -69.8 6.89 1.02 Allowed 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 116.318 1.97 . . . . 0.0 116.318 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.76 160.48 2.82 Favored Pre-proline 0 N--CA 1.49 1.571 0 CA-C-N 121.281 1.855 . . . . 0.0 112.523 175.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -54.45 -50.3 13.92 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.154 1.902 . . . . 0.0 112.491 169.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.49 -54.43 43.43 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.58 0.352 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 46.0 t -75.07 -40.72 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 120.999 -1.063 . . . . 0.0 111.994 -172.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -74.7 -47.5 31.16 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 120.155 1.343 . . . . 0.0 112.709 178.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.63 -47.43 84.44 Favored 'General case' 0 C--N 1.345 0.413 0 CA-C-N 120.1 1.318 . . . . 0.0 110.718 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 99.5 p -60.57 -48.22 82.75 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 117.324 -1.322 . . . . 0.0 113.453 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.2 mt -67.42 -43.83 80.29 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 120.798 1.635 . . . . 0.0 111.886 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.63 -51.09 71.29 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.402 1.001 . . . . 0.0 112.014 177.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -29.27 64.44 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 178.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -62.97 -53.78 48.62 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 119.586 1.085 . . . . 0.0 110.786 170.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.7 mt -59.13 -39.62 82.91 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.688 176.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.23 -42.98 74.1 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 120.796 1.635 . . . . 0.0 113.179 168.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.0 t -64.15 -43.45 95.15 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.11 -0.994 . . . . 0.0 113.096 172.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.5 t -55.07 -43.84 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 O-C-N 121.279 -0.888 . . . . 0.0 110.317 171.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.4 t -57.28 -52.19 66.34 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.782 1.233 . . . . 0.0 112.754 172.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 58.0 m -51.86 -46.31 64.4 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.078 0.951 . . . . 0.0 111.528 175.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.28 -41.2 80.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 O-C-N 121.413 -0.805 . . . . 0.0 112.283 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.91 -15.5 22.14 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.61 1.164 . . . . 0.0 113.737 168.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 20.3 m -101.28 -11.5 19.42 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.87 1.668 . . . . 0.0 111.771 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.8 t -64.73 151.38 45.28 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.972 1.309 . . . . 0.0 112.997 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -144.13 179.66 7.07 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.046 1.738 . . . . 0.0 111.799 -170.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -52.15 141.3 18.99 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.813 0.845 . . . . 0.0 112.447 169.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 . . . . . 0 C--O 1.254 1.322 0 C-N-CA 125.146 1.378 . . . . 0.0 113.856 173.147 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.33 3.3 p . . . . . 0 N--CA 1.513 2.723 0 CA-C-O 116.93 -1.509 . . . . 0.0 113.344 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 26.84 62.06 0.09 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 127.392 2.277 . . . . 0.0 115.931 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 146.99 37.11 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 120.966 -1.084 . . . . 0.0 109.808 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.67 157.98 62.87 Favored Pre-proline 0 N--CA 1.481 1.103 0 CA-C-O 118.667 -0.682 . . . . 0.0 109.873 171.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -52.9 -36.92 76.64 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.595 2.197 . . . . 0.0 114.68 172.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -75.92 -37.86 58.28 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.154 0.888 . . . . 0.0 112.05 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -63.2 -49.55 73.79 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 118.693 -0.67 . . . . 0.0 111.155 171.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -54.23 -49.18 70.07 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.164 1.385 . . . . 0.0 111.072 174.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.6 t -54.2 -46.98 72.56 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.827 0.74 . . . . 0.0 111.194 175.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.54 74.43 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 p -63.93 -52.9 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 CA-C-N 120.13 1.332 . . . . 0.0 111.716 176.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -73.84 -31.0 62.99 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.138 -0.976 . . . . 0.0 112.891 -171.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.86 -37.16 81.47 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 120.511 1.505 . . . . 0.0 112.073 172.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -40.54 95.45 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.596 0.634 . . . . 0.0 110.776 168.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -54.46 -45.83 73.21 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.142 0.883 . . . . 0.0 111.323 171.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.6 -25.97 56.36 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 125.721 1.629 . . . . 0.0 115.578 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -102.05 -12.75 17.89 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.786 1.293 . . . . 0.0 113.581 172.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.89 137.49 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 124.518 1.127 . . . . 0.0 111.977 -173.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -87.41 82.2 7.61 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.621 0.769 . . . . 0.0 108.94 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 61.5 t -53.04 -39.43 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 124.123 0.969 . . . . 0.0 113.237 -169.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.21 -6.17 50.15 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -122.17 -51.88 1.98 Allowed 'General case' 0 N--CA 1.473 0.704 0 O-C-N 120.365 -1.46 . . . . 0.0 110.769 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.75 -29.27 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 119.431 1.014 . . . . 0.0 112.351 170.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.81 -42.22 46.8 Favored Glycine 0 N--CA 1.472 1.053 0 CA-C-N 119.48 1.036 . . . . 0.0 112.303 173.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.89 -41.07 99.61 Favored Glycine 0 N--CA 1.47 0.953 0 CA-C-N 117.812 0.806 . . . . 0.0 112.499 171.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -64.21 -39.5 94.11 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 125.073 1.349 . . . . 0.0 111.823 171.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.49 -53.69 48.08 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 120.145 1.339 . . . . 0.0 110.428 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.05 -42.33 99.08 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.083 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -52.5 -62.94 5.34 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-N 119.494 1.043 . . . . 0.0 112.832 170.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 ttt-85 -47.84 -36.78 12.5 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 126.016 1.726 . . . . 0.0 113.611 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tp -69.83 -62.26 1.45 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.693 1.197 . . . . 0.0 110.396 170.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.401 HD22 HD11 ' B' ' 48' ' ' LEU . 9.4 mt -64.98 -12.65 52.4 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.426 1.091 . . . . 0.0 113.749 -170.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.41 ' C ' ' H ' ' B' ' 35' ' ' TYR . 18.2 m -99.46 -3.69 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 115.872 1.805 . . . . 0.0 115.872 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.87 8.36 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 CA-C-N 122.509 2.413 . . . . 0.0 112.585 167.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' TYR . . . . . 0.41 ' H ' ' C ' ' B' ' 33' ' ' VAL . 3.8 t80 44.77 41.94 0.85 Allowed Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 126.674 1.99 . . . . 0.0 113.699 -158.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -75.87 175.29 11.49 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 121.917 1.745 . . . . 0.0 110.402 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -55.48 -22.67 21.89 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 166.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -21.86 66.06 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 119.109 -2.244 . . . . 0.0 113.504 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -56.15 -23.36 34.31 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 171.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -54.95 -22.85 16.44 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 176.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.03 5.51 46.31 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 175.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.74 -25.96 8.52 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.21 -34.63 68.74 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 173.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 77.6 p -90.19 -5.33 56.53 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.581 1.082 . . . . 0.0 112.995 172.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -106.93 -2.8 20.87 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.145 1.378 . . . . 0.0 113.597 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.32 -123.57 29.84 Favored Glycine 0 CA--C 1.535 1.332 0 CA-C-N 120.929 1.695 . . . . 0.0 113.048 175.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.55 111.87 2.23 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.614 0.766 . . . . 0.0 111.428 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.401 HD11 HD22 ' B' ' 32' ' ' LEU . 6.2 tt -146.3 -24.39 0.44 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 24.5 p -60.92 -4.08 0.92 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 -171.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' THR . . . . . 0.415 ' HB ' ' HD2' ' B' ' 51' ' ' PRO . 6.5 p -143.07 163.72 36.1 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 126.606 1.962 . . . . 0.0 109.775 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.415 ' HD2' ' HB ' ' B' ' 50' ' ' THR . 4.6 Cg_endo -57.8 -53.43 4.46 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.989 1.792 . . . . 0.0 112.372 175.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -63.09 -27.77 69.62 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.581 1.152 . . . . 0.0 113.108 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.17 -64.25 0.91 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.762 0.71 . . . . 0.0 111.022 169.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 p -68.04 -37.47 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -169.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.76 -26.16 63.23 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 178.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.85 -25.08 10.01 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 123.789 0.709 . . . . 0.0 114.692 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -62.26 120.51 59.16 Favored Pre-proline 0 CA--C 1.555 1.16 0 C-N-CA 124.878 1.271 . . . . 0.0 114.05 -172.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.74 -45.98 32.59 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 124.442 3.428 . . . . 0.0 115.389 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -62.83 -34.95 78.39 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.98 0.912 . . . . 0.0 112.949 -175.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 73.5 t -64.87 -45.1 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 C-N-CA 124.437 1.095 . . . . 0.0 110.332 171.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.54 -40.39 89.08 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 118.61 0.641 . . . . 0.0 112.253 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.2 99.39 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.396 1.078 . . . . 0.0 113.052 171.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -62.2 -37.59 85.9 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.619 -1.301 . . . . 0.0 112.38 169.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.71 -51.46 33.33 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.614 1.102 . . . . 0.0 113.016 166.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -57.64 -37.97 74.23 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 118.252 1.026 . . . . 0.0 113.225 173.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -69.82 -54.42 13.66 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.11 0.868 . . . . 0.0 113.087 176.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 4.2 m -60.75 -41.83 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 120.253 1.388 . . . . 0.0 111.85 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 tt -78.76 -33.53 46.38 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.483 -0.761 . . . . 0.0 111.646 -176.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.8 -41.27 90.75 Favored Glycine 0 CA--C 1.534 1.219 0 O-C-N 121.06 -1.025 . . . . 0.0 112.212 166.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.03 -41.22 95.47 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.208 1.004 . . . . 0.0 112.434 171.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.421 ' HZ ' HBB2 ' B' ' 201' ' ' HEC . 9.1 m-30 -58.71 -35.65 72.99 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.297 -1.502 . . . . 0.0 112.075 171.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -41.34 81.58 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.862 0.865 . . . . 0.0 113.08 172.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -57.23 -32.56 66.66 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.04 0.836 . . . . 0.0 111.702 170.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.16 -66.0 3.01 Favored Glycine 0 C--N 1.339 0.695 0 C-N-CA 123.746 0.688 . . . . 0.0 111.428 166.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.32 -32.82 39.74 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -178.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.89 -26.73 59.86 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.769 1.627 . . . . 0.0 115.155 176.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -144.67 45.91 1.38 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.324 1.45 . . . . 0.0 112.31 -169.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 93.9 mt -58.78 -23.37 60.07 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -178.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -63.45 -21.31 66.23 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.382 1.073 . . . . 0.0 113.659 173.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -92.63 -68.03 0.82 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.526 0.73 . . . . 0.0 111.914 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 48.94 -17.02 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 118.455 2.761 . . . . 0.0 118.455 -168.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -97.35 -66.1 0.92 Allowed 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.602 1.546 . . . . 0.0 110.036 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.81 -32.39 69.9 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.031 0.824 . . . . 0.0 114.992 -176.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -26.42 65.27 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.37 1.468 . . . . 0.0 113.98 174.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -116.09 -11.46 11.39 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -173.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.57 -40.67 52.83 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.827 1.418 . . . . 0.0 114.827 -172.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 19.9 p -66.78 -34.11 77.11 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.276 1.031 . . . . 0.0 112.949 173.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 41.4 mt -74.69 -38.43 62.37 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.245 1.018 . . . . 0.0 111.691 172.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.0 m -64.73 -37.37 87.37 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.981 1.264 . . . . 0.0 111.624 173.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.58 -55.65 28.53 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.932 1.293 . . . . 0.0 111.56 167.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 27.1 tp -52.91 -58.6 6.41 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.306 1.042 . . . . 0.0 111.36 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -78.25 41.04 0.37 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.254 1.422 . . . . 0.0 112.355 176.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' CYS . . . . . 0.607 ' SG ' HG21 ' C' ' 41' ' ' THR . 8.4 t -155.13 -74.61 0.11 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.503 1.121 . . . . 0.0 109.957 165.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -26.76 68.59 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.361 1.465 . . . . 0.0 114.158 -178.056 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.63 -35.43 9.12 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.997 0.919 . . . . 0.0 111.762 173.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mt -135.61 86.04 2.21 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.67 1.988 . . . . 0.0 109.065 -174.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -53.39 -28.81 31.49 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.733 1.213 . . . . 0.0 114.207 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 6.63 101.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 129.721 3.208 . . . . 0.0 115.104 161.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -62.26 139.27 96.28 Favored Pre-proline 0 CA--C 1.548 0.892 0 O-C-N 120.625 -1.297 . . . . 0.0 113.458 -164.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' PRO . . . . . 0.428 ' HD3' ' CE2' ' B' ' 145' ' ' TYR . 31.0 Cg_endo -65.86 -15.88 50.7 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.69 2.927 . . . . 0.0 115.449 -169.144 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -49.15 -38.9 26.93 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.916 0.887 . . . . 0.0 112.027 163.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.05 -37.12 86.28 Favored 'General case' 0 CA--C 1.55 0.973 0 O-C-N 121.338 -0.851 . . . . 0.0 111.026 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -63.87 -47.68 79.73 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.636 1.107 . . . . 0.0 111.229 172.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -56.5 -50.01 73.04 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.734 0.813 . . . . 0.0 110.129 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 74.7 mt -58.83 -46.47 87.61 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.871 0.868 . . . . 0.0 112.073 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.25 -36.96 76.43 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.602 0.637 . . . . 0.0 111.835 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' GLY . . . . . 0.413 ' CA ' HG11 ' B' ' 134' ' ' VAL . . . -65.73 -51.92 42.8 Favored Glycine 0 N--CA 1.469 0.851 0 O-C-N 120.871 -1.143 . . . . 0.0 114.186 171.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -53.71 -27.66 29.37 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.733 0.813 . . . . 0.0 112.585 173.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 8.5 t -81.0 -47.61 20.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 124.524 1.13 . . . . 0.0 113.453 174.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.405 HD22 ' CD2' ' B' ' 71' ' ' PHE . 11.5 tp -48.61 -54.21 15.51 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.406 1.003 . . . . 0.0 110.217 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.655 HG12 ' HB3' ' B' ' 130' ' ' TYR . 5.6 m -58.36 -25.56 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -175.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' CYS . . . . . 0.475 ' HA ' HG23 ' A' ' 107' ' ' VAL . 78.8 m -77.7 -39.83 43.34 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.399 -0.813 . . . . 0.0 112.533 175.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 16.7 m -74.24 -28.99 23.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-N 119.617 1.098 . . . . 0.0 112.832 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.43 ' CD2' ' CZ ' ' B' ' 130' ' ' TYR . 8.4 mp -64.29 -46.03 85.43 Favored 'General case' 0 N--CA 1.463 0.181 0 O-C-N 121.322 -0.861 . . . . 0.0 110.645 170.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.17 72.92 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 171.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -60.21 -52.77 63.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.013 1.278 . . . . 0.0 111.445 171.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -69.52 -23.85 63.65 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -176.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -131.35 49.21 2.34 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.938 1.695 . . . . 0.0 110.908 -174.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.14 -21.65 66.22 Favored Glycine 0 N--CA 1.468 0.831 0 N-CA-C 115.754 1.062 . . . . 0.0 115.754 -169.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -81.36 -2.03 47.7 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.37 1.085 . . . . 0.0 112.434 173.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.52 3.76 3.91 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.567 1.947 . . . . 0.0 113.45 -173.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.32 30.14 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 129.489 3.116 . . . . 0.0 118.112 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 7.4 p -51.08 153.05 3.42 Favored Pre-proline 0 N--CA 1.482 1.146 0 C-N-CA 124.259 1.024 . . . . 0.0 113.52 -166.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -45.87 -49.09 11.51 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.603 2.202 . . . . 0.0 114.134 172.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.91 -26.23 22.4 Favored 'Trans proline' 0 C--N 1.354 0.854 0 CA-C-O 116.74 -1.442 . . . . 0.0 114.37 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 9.4 t -58.8 -52.99 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 CA-C-N 122.837 2.562 . . . . 0.0 111.458 173.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' GLN . . . . . 0.459 ' HG3' HG21 ' A' ' 107' ' ' VAL . 1.1 tm0? -62.45 -47.0 85.96 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.411 0.285 . . . . 0.0 110.533 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.01 -38.12 89.92 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.68 -50.29 65.45 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 124.113 0.965 . . . . 0.0 110.269 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.655 ' HB3' HG12 ' B' ' 111' ' ' VAL . 6.5 m-85 -51.89 -46.24 64.46 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.872 -0.517 . . . . 0.0 111.686 167.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -63.49 -35.36 80.2 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 117.776 -1.107 . . . . 0.0 113.881 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -67.39 -40.02 85.65 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 121.715 2.052 . . . . 0.0 113.124 173.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.8 -43.52 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 120.243 1.383 . . . . 0.0 111.754 171.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.413 HG11 ' CA ' ' B' ' 107' ' ' GLY . 25.6 t -73.42 -29.66 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 119.272 0.942 . . . . 0.0 113.097 -178.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.46 -45.42 90.94 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 120.555 1.525 . . . . 0.0 111.674 169.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -55.21 -45.25 83.25 Favored Glycine 0 N--CA 1.473 1.148 0 N-CA-C 111.976 -0.45 . . . . 0.0 111.976 169.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -44.33 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.203 1.001 . . . . 0.0 113.309 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.26 -44.57 96.23 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.474 -0.766 . . . . 0.0 110.551 177.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -63.92 -35.65 81.38 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.388 0.675 . . . . 0.0 112.349 174.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.64 -47.29 73.04 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.827 0.851 . . . . 0.0 111.842 175.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 13.7 mt -61.53 -37.75 84.91 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.221 0.919 . . . . 0.0 111.1 173.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.4 -6.74 20.46 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 171.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -59.6 -36.12 75.65 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 119.515 -1.991 . . . . 0.0 113.444 -176.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -67.7 -4.27 11.68 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 174.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 145' ' ' TYR . . . . . 0.428 ' CE2' ' HD3' ' B' ' 100' ' ' PRO . 2.2 m-85 -95.63 11.14 34.3 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.173 1.789 . . . . 0.0 111.8 178.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.258 1.517 0 C-N-CA 127.991 2.516 . . . . 0.0 115.145 174.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.507 2.414 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.468 HD13 HG22 ' C' ' 73' ' ' VAL . 5.0 mp -140.6 -171.09 3.15 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 119.963 -1.711 . . . . 0.0 110.809 172.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 7.7 p -112.78 141.58 25.68 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 126.059 1.744 . . . . 0.0 111.986 -176.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -52.51 -48.59 21.12 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 124.126 3.217 . . . . 0.0 116.084 -169.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.19 93.82 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 122.108 -0.37 . . . . 0.0 111.431 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.52 -40.07 96.08 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.83 0.452 . . . . 0.0 111.393 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -55.54 -50.21 70.61 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 118.808 0.731 . . . . 0.0 111.054 170.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 56.1 m -59.2 -44.59 92.23 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.825 0.85 . . . . 0.0 111.831 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -62.34 -41.73 98.82 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.634 -0.666 . . . . 0.0 111.918 176.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.31 -49.08 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.836 1.254 . . . . 0.0 111.452 173.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -58.45 -46.57 86.28 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 118.864 0.756 . . . . 0.0 111.547 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.95 -52.42 65.57 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.386 0.675 . . . . 0.0 111.564 177.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.95 -51.88 67.4 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.351 0.66 . . . . 0.0 111.986 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -63.95 -28.14 69.62 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.72 -42.75 99.64 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.584 1.088 . . . . 0.0 113.413 169.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -70.15 -35.04 73.76 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 118.617 1.209 . . . . 0.0 111.303 174.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.47 -50.59 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.251 1.02 . . . . 0.0 111.514 175.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.62 -139.08 9.88 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.099 0.857 . . . . 0.0 114.296 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.06 -22.55 50.75 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -69.88 -6.55 33.46 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 174.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.57 -47.36 28.41 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.564 1.075 . . . . 0.0 113.282 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.28 -37.93 95.64 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 121.909 -0.494 . . . . 0.0 113.503 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -63.53 -46.47 85.85 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.154 0.982 . . . . 0.0 110.81 174.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -68.31 -37.07 80.23 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.22 -51.48 58.59 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-N 118.723 0.692 . . . . 0.0 112.067 170.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.94 -50.42 68.91 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.53 0.732 . . . . 0.0 111.652 175.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -67.62 -35.8 79.61 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.24 83.68 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.122 0.874 . . . . 0.0 112.701 172.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 54.0 mt -64.1 -51.51 63.68 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.555 0.616 . . . . 0.0 111.63 173.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -57.24 -46.14 83.27 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 121.288 -0.882 . . . . 0.0 112.18 177.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.3 ttm105 -58.83 -47.39 84.99 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 124.97 1.308 . . . . 0.0 111.561 174.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 61.7 ttp -53.43 -46.46 69.81 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.601 1.091 . . . . 0.0 112.898 173.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -61.24 -17.75 54.91 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 174.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 34.4 mt -100.12 -46.5 5.3 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.341 1.057 . . . . 0.0 110.474 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 74.4 m -68.16 -29.29 68.13 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 126.956 2.102 . . . . 0.0 114.527 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -135.14 75.92 58.89 Favored Pre-proline 0 CA--C 1.541 0.635 0 C-N-CA 125.934 1.694 . . . . 0.0 109.844 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -46.57 -25.59 3.61 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 124.686 3.591 . . . . 0.0 115.467 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' THR . . . . . 0.59 ' O ' HG22 ' C' ' 41' ' ' THR . 3.9 m -46.15 -38.83 8.71 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.798 1.639 . . . . 0.0 114.537 170.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 81.8 p -65.02 -31.49 72.75 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 119.847 -1.783 . . . . 0.0 112.359 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -58.71 -34.39 71.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.03 1.332 . . . . 0.0 112.212 173.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' THR . . . . . 0.607 HG21 ' SG ' ' B' ' 93' ' ' CYS . 0.6 OUTLIER -66.17 -18.92 65.65 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 179.213 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 42' ' ' TYR . . . . . 0.592 ' CE2' HG22 ' C' ' 93' ' ' VAL . 0.1 OUTLIER -67.4 -9.52 42.36 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 121.196 -0.94 . . . . 0.0 113.282 175.699 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 46.69 64.32 8.53 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 124.892 1.277 . . . . 0.0 112.368 -168.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -47.79 145.1 10.24 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 123.924 3.083 . . . . 0.0 114.831 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.48 4.37 4.91 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -175.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.91 -175.93 3.94 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.789 1.636 . . . . 0.0 113.458 -167.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -122.71 142.94 50.15 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.733 1.213 . . . . 0.0 111.145 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -145.61 31.27 1.08 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.887 1.275 . . . . 0.0 113.091 -165.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 2.6 t -73.88 38.45 0.1 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.61 1.964 . . . . 0.0 114.192 -176.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 11.2 m170 63.09 147.3 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 129.085 2.954 . . . . 0.0 114.366 -170.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.62 17.67 49.52 Favored Glycine 0 CA--C 1.542 1.77 0 C-N-CA 124.593 1.092 . . . . 0.0 115.572 -176.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -62.15 133.01 54.66 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.8 1.24 . . . . 0.0 113.623 -171.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.23 67.98 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.159 1.384 . . . . 0.0 113.147 171.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -83.3 -40.73 19.14 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.383 0.673 . . . . 0.0 111.446 177.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.79 -41.64 88.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 O-C-N 121.471 -0.768 . . . . 0.0 111.995 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -61.98 -39.06 90.87 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 119.756 1.162 . . . . 0.0 112.684 175.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.62 -53.38 28.39 Favored Glycine 0 N--CA 1.469 0.878 0 C-N-CA 124.06 0.838 . . . . 0.0 112.018 176.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -56.28 -44.56 79.91 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.905 -0.762 . . . . 0.0 111.699 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.54 -48.79 63.59 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.422 1.01 . . . . 0.0 113.932 172.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -56.16 -42.84 77.67 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 118.597 1.199 . . . . 0.0 112.903 171.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.65 -41.88 68.22 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.1 0.864 . . . . 0.0 111.086 -178.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 63.6 t -55.75 -48.73 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.594 1.158 . . . . 0.0 110.422 169.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.33 -47.29 86.6 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -63.81 -38.95 92.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.045 0.839 . . . . 0.0 112.298 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.36 -36.97 81.7 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.271 -0.893 . . . . 0.0 112.609 169.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -42.79 94.23 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.324 -0.86 . . . . 0.0 111.622 170.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 90.9 m -57.47 -44.38 84.79 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.917 1.235 . . . . 0.0 111.886 171.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -58.59 -47.5 84.11 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.108 0.867 . . . . 0.0 110.996 171.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.19 -32.21 70.87 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 174.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 77.1 t -71.74 -49.02 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 120.19 1.359 . . . . 0.0 110.628 171.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.21 -28.02 67.65 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.364 1.466 . . . . 0.0 113.561 -177.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -124.02 28.06 6.95 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.449 1.5 . . . . 0.0 112.053 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.468 HG22 HD13 ' C' ' 2' ' ' LEU . 14.4 p -50.26 -37.44 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -171.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -103.25 9.55 38.08 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -142.16 33.9 1.53 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.97 2.108 . . . . 0.0 111.068 -171.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -116.55 55.76 1.41 Allowed Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 125.545 1.538 . . . . 0.0 113.204 -177.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -64.93 -37.42 34.13 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 122.009 1.806 . . . . 0.0 112.34 178.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -142.72 19.28 2.0 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.496 1.518 . . . . 0.0 113.13 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.89 -10.23 36.57 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 120.097 -1.627 . . . . 0.0 114.595 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 30.8 mt -113.38 17.56 18.39 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.088 1.755 . . . . 0.0 111.498 171.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 41.1 t -56.67 -38.96 72.92 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.71 1.204 . . . . 0.0 112.749 -176.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.22 -28.62 59.06 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 173.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 10.6 mt -84.06 -42.02 16.56 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.069 0.948 . . . . 0.0 111.288 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 33.6 t -54.94 -42.48 72.36 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.572 0.349 . . . . 0.0 110.945 166.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -63.08 -45.79 90.45 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.067 1.347 . . . . 0.0 112.355 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -44.84 70.51 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.901 0.773 . . . . 0.0 111.405 173.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -67.55 -63.27 1.09 Allowed 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.609 -0.682 . . . . 0.0 110.909 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.08 -30.86 71.93 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -169.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -103.17 2.3 34.32 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.153 0.981 . . . . 0.0 113.049 -171.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -149.74 -32.61 0.2 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -174.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 97.2 mt -125.01 -117.71 0.28 Allowed 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 116.401 -1.761 . . . . 0.0 107.782 168.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . 0.25 0.0 OUTLIER 155.55 47.82 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.313 0 C-N-CA 130.523 3.529 . . . . 0.0 113.175 164.037 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 93' ' ' VAL . . . . . 0.592 HG22 ' CE2' ' C' ' 42' ' ' TYR . 23.6 t -68.42 140.11 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 O-C-N 120.657 -1.277 . . . . 0.0 112.722 -169.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.7 142.98 51.67 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 126.416 1.887 . . . . 0.0 113.619 175.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -59.48 -22.32 65.74 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 123.026 2.484 . . . . 0.0 113.232 165.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 37.7 t -52.34 -46.47 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 120.675 -1.266 . . . . 0.0 110.722 167.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -61.1 -41.07 95.99 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.847 0.749 . . . . 0.0 112.238 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 98' ' ' PHE . . . . . 0.41 ' C ' ' CD1' ' C' ' 98' ' ' PHE . 3.4 t80 -53.91 -46.84 71.56 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.492 -0.755 . . . . 0.0 111.275 172.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -56.53 -34.83 67.41 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 118.828 0.74 . . . . 0.0 111.944 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.79 -52.24 61.15 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.094 0.958 . . . . 0.0 110.868 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -40.89 91.49 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.292 1.037 . . . . 0.0 112.148 174.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 11.0 t -54.57 -52.34 62.4 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.766 1.226 . . . . 0.0 112.129 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -58.32 -42.43 86.75 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 120.997 -1.064 . . . . 0.0 111.237 173.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 92.0 m -69.29 -10.56 58.39 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 174.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 14.4 mt -91.42 -47.43 7.45 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.156 1.782 . . . . 0.0 111.852 168.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 53.8 mt -51.22 -46.99 62.43 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.645 1.178 . . . . 0.0 111.107 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 107' ' ' VAL . . . . . 0.473 HG23 ' HA ' ' D' ' 112' ' ' CYS . 7.2 p -52.44 -45.04 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 170.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -64.13 -43.17 96.09 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.295 0.638 . . . . 0.0 110.893 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.26 -46.0 88.87 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.46 -31.95 64.48 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.54 -17.3 61.74 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.594 1.701 . . . . 0.0 115.594 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -118.96 -30.42 5.03 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -174.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.6 mp -78.38 175.85 4.24 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 124.582 1.153 . . . . 0.0 110.939 172.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.56 -154.53 0.0 OUTLIER 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 124.722 3.615 . . . . 0.0 113.221 156.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.24 57.84 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.747 1.619 . . . . 0.0 114.502 174.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -42.46 -27.67 0.17 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.88 2.472 . . . . 0.0 114.105 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -69.85 7.14 0.97 Allowed 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.07 160.45 3.13 Favored Pre-proline 0 N--CA 1.489 1.499 0 CA-C-N 121.387 1.903 . . . . 0.0 112.512 175.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -54.28 -50.27 14.09 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.069 1.846 . . . . 0.0 112.627 169.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.54 -54.55 41.62 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.623 0.369 . . . . 0.0 110.616 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.26 -40.4 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 O-C-N 121.056 -1.027 . . . . 0.0 111.932 -172.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -74.95 -47.28 30.31 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 120.202 1.364 . . . . 0.0 112.761 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.76 -47.33 85.06 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 120.081 1.309 . . . . 0.0 110.604 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 99.7 p -60.73 -48.12 83.2 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 117.406 -1.283 . . . . 0.0 113.456 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 78.3 mt -67.38 -43.93 80.18 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 120.642 1.564 . . . . 0.0 111.778 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -59.54 -51.19 70.93 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.59 1.086 . . . . 0.0 112.058 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -29.46 64.77 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -63.23 -53.52 51.82 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 117.595 -1.193 . . . . 0.0 110.668 170.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.89 -40.1 83.43 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.467 1.031 . . . . 0.0 110.782 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.05 -42.91 73.31 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 120.137 -1.602 . . . . 0.0 113.143 169.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 17.3 t -64.24 -43.11 95.93 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 120.908 -1.12 . . . . 0.0 113.116 172.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 50.6 t -55.68 -43.55 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.289 -0.882 . . . . 0.0 110.158 171.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 4.4 t -57.28 -52.33 65.75 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.711 1.204 . . . . 0.0 112.746 172.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 59.4 m -51.83 -46.19 64.25 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.883 0.873 . . . . 0.0 111.562 175.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 61.5 t -69.41 -41.2 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 O-C-N 121.526 -0.734 . . . . 0.0 112.081 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -15.34 21.83 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.447 1.099 . . . . 0.0 113.757 168.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 20.4 m -101.44 -11.54 19.27 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.737 1.615 . . . . 0.0 111.734 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 7.8 t -64.47 151.44 44.29 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.854 1.262 . . . . 0.0 113.2 -177.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -144.24 179.61 7.12 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.163 1.785 . . . . 0.0 111.792 -170.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -52.21 141.41 18.98 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.666 0.786 . . . . 0.0 112.439 169.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 . . . . . 0 C--O 1.255 1.351 0 C-N-CA 125.126 1.371 . . . . 0.0 113.91 173.169 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.335 3.4 p . . . . . 0 N--CA 1.515 2.808 0 CA-C-O 117.032 -1.461 . . . . 0.0 113.287 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 34.5 p-80 26.93 62.12 0.09 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 127.566 2.347 . . . . 0.0 115.811 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.19 147.04 36.83 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 120.919 -1.113 . . . . 0.0 109.751 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.61 157.98 62.46 Favored Pre-proline 0 N--CA 1.481 1.122 0 CA-C-O 118.679 -0.677 . . . . 0.0 109.949 171.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -52.85 -36.95 76.27 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.488 2.125 . . . . 0.0 114.788 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -75.97 -37.89 58.09 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.118 0.872 . . . . 0.0 112.012 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -63.15 -49.37 74.63 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.614 -0.679 . . . . 0.0 111.187 171.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -54.44 -49.27 70.4 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.183 1.393 . . . . 0.0 110.973 174.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 28.7 t -54.01 -47.16 71.78 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.855 0.752 . . . . 0.0 111.182 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.69 74.29 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 3.0 p -64.1 -52.86 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.275 0 CA-C-N 120.191 1.359 . . . . 0.0 111.625 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -73.98 -31.2 62.88 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.133 -0.979 . . . . 0.0 112.996 -171.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.64 -37.06 81.9 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 120.524 1.511 . . . . 0.0 112.019 172.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -40.07 94.05 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.625 -0.672 . . . . 0.0 110.824 169.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -54.53 -45.86 73.46 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.019 0.827 . . . . 0.0 111.522 170.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.21 -26.88 56.93 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.825 1.679 . . . . 0.0 115.461 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -101.53 -13.09 18.03 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.781 1.291 . . . . 0.0 113.524 172.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.48 137.52 21.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.611 1.164 . . . . 0.0 112.07 -173.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -87.43 82.19 7.6 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.75 0.82 . . . . 0.0 108.83 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 62.0 t -53.01 -39.41 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 C-N-CA 124.114 0.966 . . . . 0.0 113.366 -170.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.28 -6.07 49.83 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -122.29 -51.74 1.97 Allowed 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.326 -1.484 . . . . 0.0 110.842 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -29.49 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 119.438 1.017 . . . . 0.0 112.506 170.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.79 -42.36 46.43 Favored Glycine 0 N--CA 1.472 1.056 0 O-C-N 121.004 -1.06 . . . . 0.0 112.055 173.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.83 -41.17 99.6 Favored Glycine 0 N--CA 1.472 1.045 0 CA-C-N 117.959 0.879 . . . . 0.0 112.51 171.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -64.11 -39.63 94.47 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.978 1.311 . . . . 0.0 111.854 171.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.25 -53.98 44.56 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 120.191 1.36 . . . . 0.0 110.469 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 mp -61.8 -42.4 98.96 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.107 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -52.6 -63.07 5.25 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 119.585 1.084 . . . . 0.0 112.517 171.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 16.7 ttt-85 -47.94 -36.57 12.66 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.987 1.715 . . . . 0.0 113.515 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 tp -69.75 -62.24 1.46 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.651 1.18 . . . . 0.0 110.453 169.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mt -65.1 -12.99 56.82 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.532 1.133 . . . . 0.0 113.599 -170.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 33' ' ' VAL . . . . . 0.409 ' C ' ' H ' ' D' ' 35' ' ' TYR . 17.7 m -98.62 -4.14 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 176.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.86 8.33 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 CA-C-N 122.589 2.45 . . . . 0.0 112.601 168.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 35' ' ' TYR . . . . . 0.409 ' H ' ' C ' ' D' ' 33' ' ' VAL . 3.7 t80 44.65 41.99 0.85 Allowed Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 126.614 1.966 . . . . 0.0 113.727 -158.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -75.8 175.26 11.53 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.84 1.694 . . . . 0.0 110.501 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -55.65 -22.48 23.09 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 166.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -21.8 66.13 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 119.413 -2.054 . . . . 0.0 113.511 178.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -56.3 -23.27 35.73 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 171.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -55.03 -23.03 17.71 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 115.405 1.632 . . . . 0.0 115.405 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.74 5.64 45.09 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 175.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.81 -26.06 9.01 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.081 -1.637 . . . . 0.0 115.329 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.19 -34.5 68.55 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 173.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 78.2 p -90.26 -5.27 56.52 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.707 1.139 . . . . 0.0 112.996 172.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -107.12 -2.58 20.81 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.924 1.29 . . . . 0.0 113.526 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.34 -123.7 30.09 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-N 121.049 1.749 . . . . 0.0 113.045 175.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.51 111.99 2.28 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.537 0.735 . . . . 0.0 111.351 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 tt -146.33 -24.56 0.43 Allowed 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 24.7 p -60.65 -4.29 0.9 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 116.612 2.078 . . . . 0.0 116.612 -171.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 50' ' ' THR . . . . . 0.42 ' HB ' ' HD2' ' D' ' 51' ' ' PRO . 6.5 p -143.02 163.67 36.48 Favored Pre-proline 0 N--CA 1.475 0.792 0 C-N-CA 126.646 1.978 . . . . 0.0 109.766 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 51' ' ' PRO . . . . . 0.42 ' HD2' ' HB ' ' D' ' 50' ' ' THR . 4.5 Cg_endo -57.86 -53.42 4.44 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 122.032 1.822 . . . . 0.0 112.267 175.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -62.95 -27.91 69.72 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.648 1.179 . . . . 0.0 113.187 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.09 -64.4 0.87 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.635 0.652 . . . . 0.0 111.053 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 p -67.88 -37.49 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -169.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.89 -26.06 63.07 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.85 -25.02 10.05 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 123.726 0.679 . . . . 0.0 114.789 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -62.16 120.52 58.87 Favored Pre-proline 0 CA--C 1.555 1.153 0 C-N-CA 124.888 1.275 . . . . 0.0 114.057 -172.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -50.7 -45.87 33.04 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 124.389 3.392 . . . . 0.0 115.531 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -62.99 -34.84 78.38 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.023 0.929 . . . . 0.0 112.899 -175.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 74.4 t -65.04 -45.04 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 124.422 1.089 . . . . 0.0 110.282 171.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -40.55 89.21 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 118.463 0.574 . . . . 0.0 112.292 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.29 99.17 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.43 1.092 . . . . 0.0 113.11 171.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -62.41 -37.56 86.27 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.661 -1.274 . . . . 0.0 112.278 169.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.7 -51.38 33.57 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.476 1.036 . . . . 0.0 113.059 166.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -57.52 -38.19 74.26 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 118.174 0.987 . . . . 0.0 113.246 173.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -69.8 -54.45 13.58 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 118.049 -0.977 . . . . 0.0 112.995 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 m -60.51 -41.92 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 120.416 1.462 . . . . 0.0 112.119 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 3.8 tt -78.77 -33.59 46.28 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.248 -0.908 . . . . 0.0 111.461 -176.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.59 -41.33 89.17 Favored Glycine 0 CA--C 1.535 1.293 0 O-C-N 121.362 -0.836 . . . . 0.0 112.34 166.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.21 95.72 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 117.877 0.838 . . . . 0.0 112.543 170.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 71' ' ' PHE . . . . . 0.431 ' HZ ' HBB2 ' D' ' 201' ' ' HEC . 9.0 m-30 -58.82 -35.44 72.89 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 120.41 -1.432 . . . . 0.0 112.111 171.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -41.29 81.23 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.85 0.86 . . . . 0.0 113.065 172.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -57.24 -32.61 66.73 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.968 0.804 . . . . 0.0 111.641 170.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.11 -65.93 3.06 Favored Glycine 0 C--N 1.339 0.739 0 C-N-CA 123.643 0.64 . . . . 0.0 111.622 166.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.1 mt -52.5 -32.68 41.35 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.91 -26.66 59.8 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.735 1.614 . . . . 0.0 115.103 176.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -144.67 45.84 1.38 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.326 1.45 . . . . 0.0 112.351 -169.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 93.8 mt -58.78 -23.48 60.25 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -63.37 -21.27 66.18 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.344 1.058 . . . . 0.0 113.704 173.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -92.67 -68.04 0.82 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.47 0.708 . . . . 0.0 111.939 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 49.01 -17.07 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 118.488 2.773 . . . . 0.0 118.488 -168.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -97.43 -65.91 0.93 Allowed 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 120.587 1.54 . . . . 0.0 110.091 172.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.89 -32.48 70.43 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.001 0.81 . . . . 0.0 114.896 -176.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.67 -26.58 65.38 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.312 1.445 . . . . 0.0 114.077 174.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -115.78 -11.68 11.57 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -173.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.36 -40.73 50.15 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -171.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 20.3 p -66.72 -33.99 76.87 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.35 1.06 . . . . 0.0 113.014 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 41.3 mt -74.84 -38.54 61.97 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 124.157 0.983 . . . . 0.0 111.737 172.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 2.8 m -64.54 -37.53 87.89 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.852 1.206 . . . . 0.0 111.708 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -55.75 28.4 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.92 1.288 . . . . 0.0 111.535 167.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 26.9 tp -52.94 -58.68 6.12 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.256 1.023 . . . . 0.0 111.301 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -78.05 40.91 0.35 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.195 1.398 . . . . 0.0 112.541 176.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 93' ' ' CYS . . . . . 0.596 ' SG ' HG21 ' A' ' 41' ' ' THR . 8.4 t -155.08 -74.71 0.11 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.489 1.116 . . . . 0.0 109.888 165.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -26.87 68.57 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.432 1.493 . . . . 0.0 114.101 -177.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.81 -35.27 9.1 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.885 0.874 . . . . 0.0 111.666 173.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mt -135.73 85.95 2.2 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.803 2.041 . . . . 0.0 109.107 -174.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -53.41 -28.79 31.7 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 6.61 101.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 129.69 3.196 . . . . 0.0 115.229 161.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.15 139.25 96.09 Favored Pre-proline 0 CA--C 1.55 0.958 0 O-C-N 120.561 -1.337 . . . . 0.0 113.636 -164.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 100' ' ' PRO . . . . . 0.422 ' HD3' ' CE2' ' D' ' 145' ' ' TYR . 31.1 Cg_endo -65.76 -16.01 51.49 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.586 2.858 . . . . 0.0 115.359 -168.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -49.39 -38.57 29.27 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.166 -0.959 . . . . 0.0 111.924 163.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.29 -36.99 85.9 Favored 'General case' 0 CA--C 1.553 1.07 0 O-C-N 121.298 -0.876 . . . . 0.0 110.88 177.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -64.0 -47.76 79.05 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.624 1.102 . . . . 0.0 111.301 172.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -56.53 -50.31 72.23 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.707 0.803 . . . . 0.0 110.443 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 74.7 mt -57.79 -47.0 83.8 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.16 0.984 . . . . 0.0 112.337 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.16 -36.79 75.91 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.722 0.692 . . . . 0.0 111.82 176.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 107' ' ' GLY . . . . . 0.423 ' CA ' HG11 ' D' ' 134' ' ' VAL . . . -66.02 -51.85 41.89 Favored Glycine 0 N--CA 1.469 0.838 0 O-C-N 121.136 -0.977 . . . . 0.0 114.159 171.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -53.26 -27.94 25.12 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.867 0.867 . . . . 0.0 112.767 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 7.7 t -81.12 -47.76 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 124.524 1.13 . . . . 0.0 113.377 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 110' ' ' LEU . . . . . 0.408 HD22 ' CD2' ' D' ' 71' ' ' PHE . 12.1 tp -48.39 -53.51 17.38 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.528 1.058 . . . . 0.0 110.434 177.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 111' ' ' VAL . . . . . 0.655 HG12 ' HB3' ' D' ' 130' ' ' TYR . 5.2 m -59.19 -25.3 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -174.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 112' ' ' CYS . . . . . 0.473 ' HA ' HG23 ' C' ' 107' ' ' VAL . 79.5 m -77.63 -40.15 42.84 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.405 -0.809 . . . . 0.0 112.796 174.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 17.0 m -73.85 -28.93 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 119.698 1.135 . . . . 0.0 113.039 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 114' ' ' LEU . . . . . 0.437 ' CD2' ' CZ ' ' D' ' 130' ' ' TYR . 8.4 mp -64.27 -46.23 84.58 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 119.142 0.883 . . . . 0.0 110.398 170.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.06 -34.27 73.2 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.248 0.832 . . . . 0.0 113.248 172.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -60.12 -53.07 62.15 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.912 1.233 . . . . 0.0 111.425 171.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -69.2 -23.67 63.94 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -176.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -131.4 49.21 2.34 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.095 1.758 . . . . 0.0 110.997 -174.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.2 -21.65 66.36 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 115.761 1.064 . . . . 0.0 115.761 -169.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -81.48 -1.85 47.51 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.314 1.057 . . . . 0.0 112.378 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.45 3.71 3.92 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.612 1.965 . . . . 0.0 113.491 -173.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.21 30.1 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 129.389 3.076 . . . . 0.0 118.299 -178.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 7.5 p -51.04 153.11 3.32 Favored Pre-proline 0 N--CA 1.479 0.989 0 C-N-CA 124.398 1.079 . . . . 0.0 113.446 -166.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -46.08 -48.99 11.96 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 122.647 2.231 . . . . 0.0 114.1 172.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.95 -26.17 22.29 Favored 'Trans proline' 0 C--N 1.356 0.93 0 CA-C-O 116.757 -1.435 . . . . 0.0 114.465 174.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 9.9 t -58.91 -52.95 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 CA-C-N 122.822 2.555 . . . . 0.0 111.442 172.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 127' ' ' GLN . . . . . 0.47 ' HG3' HG21 ' C' ' 107' ' ' VAL . 1.1 tm0? -62.35 -47.05 85.91 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.481 0.312 . . . . 0.0 110.534 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.24 -37.88 89.07 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.83 -50.16 65.62 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.236 1.014 . . . . 0.0 110.323 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 130' ' ' TYR . . . . . 0.655 ' HB3' HG12 ' D' ' 111' ' ' VAL . 6.4 m-85 -51.96 -46.2 64.7 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.236 0.471 . . . . 0.0 111.763 167.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -63.51 -35.62 81.05 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 117.748 -1.12 . . . . 0.0 113.817 177.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -67.22 -40.23 86.36 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 121.701 2.046 . . . . 0.0 113.165 173.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 4.5 p -67.38 -43.93 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 CA-C-N 120.281 1.401 . . . . 0.0 111.745 171.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 134' ' ' VAL . . . . . 0.423 HG11 ' CA ' ' D' ' 107' ' ' GLY . 26.2 t -73.41 -29.82 28.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 119.29 0.95 . . . . 0.0 112.946 -177.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.3 -45.53 90.92 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 120.746 1.612 . . . . 0.0 111.687 169.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -54.96 -45.33 81.49 Favored Glycine 0 N--CA 1.473 1.109 0 O-C-N 121.979 -0.451 . . . . 0.0 112.202 168.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.59 -44.28 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.276 1.03 . . . . 0.0 113.284 176.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.24 -44.48 96.46 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.327 -0.858 . . . . 0.0 110.554 177.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -64.18 -35.78 81.9 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.407 0.683 . . . . 0.0 112.255 174.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.65 -47.45 72.47 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.678 0.791 . . . . 0.0 112.171 175.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.73 -38.23 84.4 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.581 1.082 . . . . 0.0 111.12 172.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.72 -6.34 20.43 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 172.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -59.49 -36.2 75.58 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 119.518 -1.989 . . . . 0.0 113.491 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -67.68 -4.18 11.35 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 174.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 145' ' ' TYR . . . . . 0.422 ' CE2' ' HD3' ' D' ' 100' ' ' PRO . 2.2 m-85 -95.61 11.03 34.64 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.334 1.854 . . . . 0.0 111.798 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.257 1.492 0 C-N-CA 127.924 2.49 . . . . 0.0 115.269 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.619 HMB1 HBB2 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 201' ' ' HEC . . . . . 0.421 HBB2 ' HZ ' ' B' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 201' ' ' HEC . . . . . 0.609 HMB1 HBB2 ' C' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 201' ' ' HEC . . . . . 0.431 HBB2 ' HZ ' ' D' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.511 2.607 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -137.72 -177.19 4.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 119.522 -1.986 . . . . 0.0 113.03 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.04 -163.33 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.197 0 C-N-CA 126.267 1.827 . . . . 0.0 112.02 176.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -102.82 -38.79 0.02 OUTLIER 'Trans proline' 0 CA--C 1.546 1.116 0 C-N-CA 123.088 2.525 . . . . 0.0 115.074 169.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.68 -32.17 71.79 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 120.613 -1.305 . . . . 0.0 112.774 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -59.27 -48.64 80.86 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 125.006 1.322 . . . . 0.0 112.698 166.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -55.57 -49.08 73.67 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.035 0.834 . . . . 0.0 109.969 174.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.6 m -55.56 -50.23 70.6 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.648 0.779 . . . . 0.0 112.327 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -61.39 -39.77 91.91 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 118.592 0.633 . . . . 0.0 112.258 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.5 t -65.18 -44.19 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 123.954 0.901 . . . . 0.0 111.439 175.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -61.66 -46.16 90.93 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.551 1.068 . . . . 0.0 111.27 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.71 -52.8 63.93 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.392 0.677 . . . . 0.0 111.209 175.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.42 -51.53 69.04 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.523 1.129 . . . . 0.0 111.879 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -66.26 -27.46 67.96 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.329 -0.857 . . . . 0.0 113.095 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.77 -41.63 94.05 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.215 0.912 . . . . 0.0 112.986 167.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -69.43 -35.2 75.47 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 118.306 1.053 . . . . 0.0 111.847 171.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.426 HG12 ' HB2' ' A' ' 21' ' ' ALA . 86.3 t -65.69 -27.05 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 125.054 1.342 . . . . 0.0 113.765 177.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -35.87 123.06 0.69 Allowed Glycine 0 CA--C 1.541 1.715 0 C-N-CA 125.159 1.361 . . . . 0.0 114.394 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 78.85 -39.24 0.23 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 129.19 2.996 . . . . 0.0 114.539 -173.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -75.33 -17.42 60.26 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.341 1.056 . . . . 0.0 113.607 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -38.67 -54.35 1.56 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 127.144 2.177 . . . . 0.0 114.552 -178.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.36 -32.49 65.04 Favored Glycine 0 N--CA 1.467 0.705 0 O-C-N 121.641 -0.662 . . . . 0.0 114.149 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -59.27 -45.89 90.0 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.896 0.878 . . . . 0.0 109.531 170.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.511 ' HA ' HG21 ' A' ' 108' ' ' THR . 13.1 m-30 -65.99 -39.89 90.72 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.63 -47.0 93.33 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 123.308 0.48 . . . . 0.0 112.648 171.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.5 -45.73 90.85 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 117.979 0.889 . . . . 0.0 112.12 176.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -41.2 97.91 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 123.231 0.613 . . . . 0.0 112.301 174.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.21 -45.92 89.44 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.34 0.518 . . . . 0.0 112.048 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.3 mt -56.12 -54.41 45.43 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.063 0.945 . . . . 0.0 111.046 175.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -58.14 -41.0 82.78 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 122.838 0.455 . . . . 0.0 111.86 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.4 ttm105 -61.34 -35.3 77.03 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 117.222 -1.37 . . . . 0.0 113.031 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.3 mtm -61.24 -45.91 92.58 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.58 1.536 . . . . 0.0 111.56 171.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -66.43 -15.76 63.58 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -111.34 -22.76 11.17 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.845 1.258 . . . . 0.0 113.248 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 82.1 p -80.08 -36.28 35.75 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.027 1.285 . . . . 0.0 113.59 171.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -130.77 80.45 69.74 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 127.614 2.366 . . . . 0.0 109.219 -175.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.38 -17.09 3.84 Favored 'Trans proline' 0 CA--C 1.545 1.045 0 C-N-CA 123.784 2.989 . . . . 0.0 115.695 175.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.5 p -54.9 -30.26 57.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.254 1.422 . . . . 0.0 114.178 165.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.454 HG22 ' ND2' ' A' ' 97' ' ' ASN . 13.5 p -63.88 -39.31 93.88 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 120.853 1.661 . . . . 0.0 111.43 174.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -56.2 -37.7 70.0 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.724 1.61 . . . . 0.0 112.671 -176.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.19 -24.55 66.41 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 177.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -67.84 -12.44 60.63 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.229 -0.92 . . . . 0.0 112.525 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 32.5 57.54 1.33 Allowed Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 127.232 2.213 . . . . 0.0 112.892 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -77.8 64.0 8.13 Favored 'Trans proline' 0 CA--C 1.545 1.034 0 C-N-CA 124.217 3.278 . . . . 0.0 112.575 -162.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.291 3.4 p-80 49.45 20.55 0.48 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 128.737 2.815 . . . . 0.0 116.036 -168.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -111.74 149.2 32.01 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.163 1.385 . . . . 0.0 112.151 -173.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.27 -18.58 6.77 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.079 1.752 . . . . 0.0 113.402 -173.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt 51.71 38.25 22.37 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.704 1.601 . . . . 0.0 113.745 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.8 p -67.44 22.48 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 128.169 2.588 . . . . 0.0 116.898 -172.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.0 m80 73.36 114.23 0.06 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 128.646 2.778 . . . . 0.0 112.912 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.85 25.8 70.83 Favored Glycine 0 CA--C 1.539 1.552 0 O-C-N 121.512 -0.743 . . . . 0.0 113.978 -174.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.4 p -64.98 142.09 58.56 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.242 1.017 . . . . 0.0 113.412 -169.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.83 -33.27 75.31 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.546 -0.721 . . . . 0.0 112.718 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.48 -40.86 98.23 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.15 -44.42 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 119.864 1.211 . . . . 0.0 111.351 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -44.59 95.81 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.693 0.678 . . . . 0.0 112.068 174.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.22 -51.55 58.15 Favored Glycine 0 N--CA 1.471 1.012 0 C-N-CA 123.933 0.777 . . . . 0.0 112.366 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -58.63 -41.62 86.39 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.861 -0.788 . . . . 0.0 111.757 173.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.6 -49.85 44.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 121.537 -0.727 . . . . 0.0 113.222 170.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.1 -44.45 87.64 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 118.292 1.046 . . . . 0.0 112.256 173.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.471 ' HB3' HMA3 ' A' ' 201' ' ' HEC . 10.5 mmpt? -59.4 -54.28 48.52 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.591 1.087 . . . . 0.0 111.941 174.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.2 t -53.79 -41.86 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.983 0.913 . . . . 0.0 110.943 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -65.91 -45.45 81.89 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 176.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -61.69 -35.69 78.73 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.057 1.299 . . . . 0.0 112.295 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.07 -43.72 98.23 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.435 -0.79 . . . . 0.0 112.405 169.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.97 -43.2 86.33 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.304 170.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.4 m -59.15 -45.56 90.66 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 119.866 1.212 . . . . 0.0 111.86 173.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -34.34 78.17 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.625 1.102 . . . . 0.0 111.802 177.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.64 79.88 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.461 -0.781 . . . . 0.0 111.05 169.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.8 t -56.89 -45.46 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 120.122 1.328 . . . . 0.0 111.449 174.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.6 -25.37 67.3 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -141.08 31.51 1.77 Allowed 'General case' 0 C--O 1.219 -0.533 0 C-N-CA 124.196 0.999 . . . . 0.0 112.823 -167.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.2 p -60.99 -16.38 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 119.374 -2.079 . . . . 0.0 115.956 -162.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -102.04 -0.42 33.6 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 172.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -130.61 -0.69 4.37 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 128.371 2.668 . . . . 0.0 113.322 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -60.86 -15.92 0.32 Allowed Pre-proline 0 CA--C 1.543 0.686 0 N-CA-C 117.352 2.353 . . . . 0.0 117.352 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -47.17 -30.21 10.24 Favored 'Trans proline' 0 C--N 1.358 1.035 0 CA-C-N 123.788 2.389 . . . . 0.0 115.657 163.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.8 -40.3 16.17 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.198 0.908 . . . . 0.0 113.171 170.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.53 -24.85 61.19 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -175.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 79.3 mt -97.53 2.81 50.56 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.966 1.307 . . . . 0.0 112.569 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.1 m -53.82 -41.02 66.88 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 120.172 1.351 . . . . 0.0 113.871 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.64 -15.7 31.08 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 176.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mt -109.26 -31.3 7.62 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.385 1.874 . . . . 0.0 111.082 -172.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.7 m -56.21 -42.39 77.16 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 119.155 -0.45 . . . . 0.0 110.387 153.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -61.96 -32.31 72.73 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.532 1.06 . . . . 0.0 112.902 172.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.0 -66.09 0.56 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 120.065 1.302 . . . . 0.0 108.762 162.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -61.3 -10.09 6.4 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 -173.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.52 -11.8 7.79 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.677 1.591 . . . . 0.0 114.729 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -134.69 -1.4 2.77 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 120.047 1.294 . . . . 0.0 114.429 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.84 98.77 2.22 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.886 1.274 . . . . 0.0 112.069 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.5 mt 69.78 81.25 0.17 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.442 1.497 . . . . 0.0 111.003 -175.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -63.73 -6.12 5.15 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 116.072 1.878 . . . . 0.0 116.072 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 24.3 t -1.31 114.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 129.904 3.282 . . . . 0.0 115.25 174.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -34.82 123.99 0.55 Allowed Pre-proline 0 CA--C 1.556 1.192 0 C-N-CA 125.125 1.37 . . . . 0.0 112.635 171.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -42.85 -13.12 0.04 OUTLIER 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 124.929 3.753 . . . . 0.0 117.017 168.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.5 p -42.36 -40.73 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 121.223 1.829 . . . . 0.0 112.681 161.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.454 ' ND2' HG22 ' A' ' 39' ' ' THR . 26.9 m120 -73.6 -25.42 60.32 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 117.652 -1.166 . . . . 0.0 113.028 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -57.91 -52.69 64.46 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 120.063 1.301 . . . . 0.0 108.885 166.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -55.89 -38.07 69.7 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.004 0.922 . . . . 0.0 111.612 -176.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 77.2 mt -69.58 -48.0 61.68 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 119.01 -0.519 . . . . 0.0 111.405 175.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.85 -42.87 98.68 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 119.307 0.958 . . . . 0.0 112.364 176.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 82.5 p -68.03 -46.01 72.38 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 119.34 0.973 . . . . 0.0 112.298 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -64.72 -44.37 90.41 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.473 1.033 . . . . 0.0 111.835 172.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 62.6 m -62.1 -38.56 89.34 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 118.039 -0.981 . . . . 0.0 112.456 176.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.9 -54.31 47.66 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.763 1.165 . . . . 0.0 110.933 169.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 45.0 mt -50.1 -43.33 51.47 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.698 1.135 . . . . 0.0 111.652 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.77 -42.89 98.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 123.805 0.842 . . . . 0.0 112.399 175.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.511 HG21 ' HA ' ' A' ' 24' ' ' TYR . 3.1 m -63.87 -45.74 88.05 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 120.155 1.343 . . . . 0.0 112.581 171.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 17.8 mt -64.15 -48.51 75.74 Favored 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 123.033 0.533 . . . . 0.0 109.659 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -48.86 -44.45 39.71 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.869 0.868 . . . . 0.0 113.077 171.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.15 -38.5 56.66 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -116.3 -34.83 4.51 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -168.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.1 tt -72.94 125.4 91.13 Favored Pre-proline 0 CA--C 1.544 0.742 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 172.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -70.97 71.93 2.09 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.265 2.644 . . . . 0.0 111.054 171.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.28 11.63 0.22 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.889 2.076 . . . . 0.0 113.403 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 49.53 21.37 0.6 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.354 2.262 . . . . 0.0 113.811 -175.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.7 p90 36.91 27.04 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.468 2.307 . . . . 0.0 115.541 -165.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.86 155.39 91.77 Favored Pre-proline 0 N--CA 1.48 1.03 0 O-C-N 120.696 -1.252 . . . . 0.0 111.69 -173.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -64.88 -46.99 5.5 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.158 1.905 . . . . 0.0 110.951 173.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.22 98.96 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 118.897 -0.573 . . . . 0.0 112.135 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 88.0 t -65.75 -41.96 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-N 120.261 1.392 . . . . 0.0 112.348 -177.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -37.51 87.77 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.447 1.021 . . . . 0.0 112.163 173.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.47 -55.35 36.19 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 117.91 0.323 . . . . 0.0 110.578 171.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.7 m -56.91 -48.3 78.55 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.572 1.549 . . . . 0.0 112.693 -177.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 75.5 mt -64.62 -43.94 92.11 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.493 0.588 . . . . 0.0 111.949 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.52 -54.86 33.67 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 119.553 1.069 . . . . 0.0 111.985 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -27.84 67.94 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -66.6 -49.97 64.56 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 118.885 0.766 . . . . 0.0 111.38 169.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.92 -32.81 68.13 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.07 -1.019 . . . . 0.0 111.763 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.82 -32.82 73.63 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 171.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 93.1 p -74.1 -42.52 59.98 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 120.061 -1.649 . . . . 0.0 111.281 170.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 95.0 t -53.52 -50.42 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.036 0.934 . . . . 0.0 110.274 174.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.408 ' CB ' ' CD1' ' A' ' 98' ' ' PHE . 96.6 p -66.01 -45.19 82.45 Favored 'General case' 0 C--O 1.227 -0.108 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 177.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 23.2 m -52.35 -44.39 65.18 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.202 0.91 . . . . 0.0 110.511 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 68.1 t -66.83 -47.81 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 122.992 0.517 . . . . 0.0 112.167 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -19.8 63.16 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 177.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 98.2 m -101.68 -2.63 29.85 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.134 2.174 . . . . 0.0 112.139 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.8 p -70.02 175.32 4.53 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.584 -1.322 . . . . 0.0 112.65 175.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -135.68 77.23 1.66 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.931 1.292 . . . . 0.0 110.86 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.8 -155.56 0.63 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.389 1.076 . . . . 0.0 111.567 171.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 . . . . . 0 C--O 1.255 1.364 0 C-N-CA 126.471 1.908 . . . . 0.0 113.09 -166.835 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.332 3.5 p . . . . . 0 N--CA 1.515 2.806 0 CA-C-O 116.909 -1.52 . . . . 0.0 112.92 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 m80 21.86 73.16 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 127.874 2.47 . . . . 0.0 114.527 -175.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.69 160.59 11.35 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.881 0.473 . . . . 0.0 111.41 -176.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p -62.75 150.67 86.48 Favored Pre-proline 0 N--CA 1.481 1.097 0 CA-C-O 118.29 -0.862 . . . . 0.0 109.071 168.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -53.09 -36.94 78.62 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.601 2.201 . . . . 0.0 114.336 173.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -64.34 -47.22 80.21 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.631 1.172 . . . . 0.0 112.16 173.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -72.0 -39.38 69.27 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.267 -0.896 . . . . 0.0 111.813 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.5 -45.3 73.24 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.677 1.191 . . . . 0.0 111.048 168.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.3 t -57.27 -51.64 68.53 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.505 1.048 . . . . 0.0 111.069 171.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.02 -50.09 64.94 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.913 0.885 . . . . 0.0 113.382 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.456 HG23 ' CE1' ' B' ' 130' ' ' TYR . 7.2 p -69.24 -57.51 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.431 -0.793 . . . . 0.0 112.369 174.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -68.5 -36.35 78.78 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 120.936 -1.103 . . . . 0.0 111.97 -167.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.63 -37.57 85.12 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.121 0.873 . . . . 0.0 112.035 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.53 -41.68 83.96 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.38 -0.825 . . . . 0.0 110.425 173.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -18.51 19.61 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 166.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.03 -34.31 42.47 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.966 1.27 . . . . 0.0 113.787 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.01 -15.15 19.17 Favored 'General case' 0 N--CA 1.483 1.225 0 CA-C-N 118.816 1.308 . . . . 0.0 114.211 174.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.51 142.34 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.527 1.131 . . . . 0.0 112.853 -177.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -91.53 90.45 7.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.076 0.95 . . . . 0.0 108.811 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.38 -38.68 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -167.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -62.1 -47.7 83.45 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 118.74 0.7 . . . . 0.0 112.686 173.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -82.79 -51.15 7.93 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 122.756 0.422 . . . . 0.0 110.967 -169.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.8 -32.56 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.45 -0.781 . . . . 0.0 111.67 172.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.21 -47.43 23.38 Favored Glycine 0 C--N 1.339 0.734 0 CA-C-N 119.216 0.917 . . . . 0.0 111.286 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.87 -38.46 95.39 Favored Glycine 0 N--CA 1.465 0.627 0 CA-C-N 117.807 0.804 . . . . 0.0 113.007 170.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -64.69 -42.32 95.4 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 117.815 -1.088 . . . . 0.0 111.832 170.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.591 ' HA ' HG11 ' B' ' 113' ' ' VAL . . . -65.34 -53.0 50.06 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 121.801 2.091 . . . . 0.0 112.657 178.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 tp -69.31 -34.01 74.04 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 118.503 -0.76 . . . . 0.0 111.245 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.94 -48.93 71.26 Favored Glycine 0 N--CA 1.466 0.675 0 CA-C-N 119.228 0.922 . . . . 0.0 112.082 171.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.408 ' HB3' HG13 ' B' ' 109' ' ' VAL . 0.4 OUTLIER -52.06 -37.57 54.16 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 118.776 1.288 . . . . 0.0 111.474 173.649 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' B' ' 106' ' ' LEU . 23.4 tp -52.46 -45.62 66.17 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.359 1.436 . . . . 0.0 112.216 174.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.663 HD13 HD12 ' B' ' 48' ' ' LEU . 6.9 mt -71.89 -32.78 67.77 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.143 1.777 . . . . 0.0 111.479 -176.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.95 -48.06 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 122.866 0.466 . . . . 0.0 111.633 174.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.27 -43.16 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.745 1.618 . . . . 0.0 110.62 -176.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -123.08 98.87 41.51 Favored Pre-proline 0 CA--C 1.537 0.451 0 C-N-CA 124.29 1.036 . . . . 0.0 110.992 174.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -67.34 -16.54 48.27 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.437 2.091 . . . . 0.0 113.106 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.28 -45.27 68.83 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.652 1.114 . . . . 0.0 110.753 170.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -14.47 9.25 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.485 1.514 . . . . 0.0 113.469 -176.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLN . . . . . 0.415 ' HG3' HD21 ' B' ' 48' ' ' LEU . 7.4 tt0 -53.15 -23.62 8.69 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.525 1.13 . . . . 0.0 113.531 170.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -39.49 64.74 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 121.574 1.988 . . . . 0.0 112.199 174.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -83.64 10.46 9.17 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 0.463 ' HB2' HD22 ' B' ' 48' ' ' LEU . 0.4 OUTLIER -61.04 -15.29 30.58 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 171.45 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.03 -27.49 19.83 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 118.972 0.805 . . . . 0.0 112.83 172.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -84.44 -41.69 16.38 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.987 0.915 . . . . 0.0 113.367 167.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -68.86 -26.67 65.25 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.45 -43.87 1.88 Allowed Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.523 1.535 . . . . 0.0 116.241 168.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -96.86 -111.87 0.14 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.644 1.222 . . . . 0.0 109.199 171.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.663 HD12 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER 58.19 -8.88 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -177.383 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.21 -15.39 2.3 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.799 2.04 . . . . 0.0 116.147 -169.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' THR . . . . . 0.481 ' H ' ' HB3' ' B' ' 53' ' ' ALA . 18.9 p -139.88 162.08 52.56 Favored Pre-proline 0 N--CA 1.47 0.541 0 C-N-CA 127.351 2.261 . . . . 0.0 109.196 173.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.45 -43.66 55.6 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.726 2.284 . . . . 0.0 113.23 173.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.49 -43.01 99.85 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.451 -0.78 . . . . 0.0 111.829 174.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.481 ' HB3' ' H ' ' B' ' 50' ' ' THR . . . -57.92 -45.05 87.12 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.089 175.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.5 t -50.21 -47.46 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 CA-C-N 119.91 1.232 . . . . 0.0 112.549 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mmt -75.47 -27.86 59.03 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -174.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.69 -6.51 56.26 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.284 0.945 . . . . 0.0 115.164 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.6 112.37 5.17 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 125.929 1.692 . . . . 0.0 112.447 -173.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.94 -41.04 56.87 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.06 2.507 . . . . 0.0 113.625 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -63.4 -36.63 84.36 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.07 -1.019 . . . . 0.0 112.576 174.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 77.8 t -65.88 -36.7 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-N 120.284 1.402 . . . . 0.0 111.899 173.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -63.4 -51.45 65.77 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.211 0.914 . . . . 0.0 111.87 170.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.26 -44.13 97.24 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.24 1.016 . . . . 0.0 113.654 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -71.21 -34.57 70.97 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.272 1.429 . . . . 0.0 111.025 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.53 -43.49 98.79 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.724 1.63 . . . . 0.0 113.127 169.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -56.26 -45.19 80.17 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.203 1.002 . . . . 0.0 111.609 166.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.12 -51.87 67.77 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.216 0.916 . . . . 0.0 112.701 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 10.0 m -58.75 -40.02 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 119.58 1.082 . . . . 0.0 111.611 175.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 tt -71.6 -40.21 69.99 Favored 'General case' 0 C--O 1.223 -0.291 0 O-C-N 121.02 -1.05 . . . . 0.0 112.772 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.16 -40.68 52.39 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.381 0.991 . . . . 0.0 111.394 171.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.23 -49.32 72.39 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 169.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -57.56 -37.31 72.91 Favored 'General case' 0 CA--C 1.556 1.202 0 O-C-N 119.936 -1.728 . . . . 0.0 113.042 174.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 75.1 m -67.07 -46.13 75.23 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.715 1.606 . . . . 0.0 113.355 172.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -57.07 -27.39 61.69 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.844 0.747 . . . . 0.0 111.808 171.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.18 -60.73 7.16 Favored Glycine 0 C--N 1.34 0.787 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 168.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.62 -24.29 55.64 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.82 -15.43 41.99 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.702 1.601 . . . . 0.0 114.597 173.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -149.73 36.68 0.71 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -170.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 88.9 mt -56.66 -18.01 10.78 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.323 1.449 . . . . 0.0 114.672 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -55.01 -38.29 67.71 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.569 1.548 . . . . 0.0 113.496 177.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.9 87.25 0.93 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.587 1.155 . . . . 0.0 111.144 176.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.29 -44.43 96.54 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.778 -0.576 . . . . 0.0 111.735 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -61.19 -15.75 37.43 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 120.574 -1.329 . . . . 0.0 113.864 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.61 -14.59 49.67 Favored Glycine 0 CA--C 1.541 1.719 0 C-N-CA 125.99 1.757 . . . . 0.0 115.647 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.9 m -112.94 -26.59 8.44 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 118.861 1.33 . . . . 0.0 112.306 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -95.02 4.53 53.67 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.665 1.186 . . . . 0.0 113.23 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.1 -38.87 71.32 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.738 1.385 . . . . 0.0 114.738 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 7.2 p -67.28 -35.44 79.48 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.15 -0.969 . . . . 0.0 112.223 173.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 35.3 mt -77.48 -33.39 54.56 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 118.852 -0.594 . . . . 0.0 112.394 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 99.4 p -70.48 -38.4 74.38 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 120.632 1.56 . . . . 0.0 111.853 173.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.64 -47.03 87.2 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.719 -0.613 . . . . 0.0 112.041 166.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 46.9 tp -55.94 -53.81 52.38 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.924 -1.11 . . . . 0.0 111.646 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -80.91 24.45 0.5 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.708 1.203 . . . . 0.0 113.796 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 42.5 t -145.88 -63.0 0.32 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.646 0.778 . . . . 0.0 112.497 169.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.53 -36.19 78.49 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.679 -1.263 . . . . 0.0 113.102 -177.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.28 -35.6 12.36 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 174.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 17.1 mt -136.68 69.26 1.42 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.294 1.838 . . . . 0.0 109.943 -171.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -69.84 26.37 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 7.5 p -43.92 150.4 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 126.91 2.084 . . . . 0.0 111.514 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.28 128.46 1.71 Allowed Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 123.448 0.699 . . . . 0.0 112.14 171.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -64.59 -46.22 7.5 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 121.405 1.404 . . . . 0.0 110.943 -172.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.56 -40.26 0.84 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.42 1.888 . . . . 0.0 115.539 -177.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ASN . . . . . 0.409 ' OD1' HBC2 ' B' ' 201' ' ' HEC . 5.9 t-20 -56.79 -27.0 59.07 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 176.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' PHE . . . . . 0.415 ' CD2' ' HB1' ' B' ' 138' ' ' ALA . 0.0 OUTLIER -55.97 -38.38 70.31 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 120.343 1.429 . . . . 0.0 112.848 170.705 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -86.51 -37.96 17.71 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 125.1 1.36 . . . . 0.0 109.756 -176.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 94.6 mt -59.12 -46.82 87.35 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.901 170.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.428 ' HA ' HD13 ' B' ' 31' ' ' LEU . 5.0 tt -57.74 -45.12 86.26 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.415 1.007 . . . . 0.0 111.484 172.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -56.87 -53.84 41.2 Favored Glycine 0 CA--C 1.532 1.132 0 N-CA-C 115.087 0.795 . . . . 0.0 115.087 172.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.38 -23.81 63.78 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 120.783 -1.422 . . . . 0.0 112.189 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.408 HG13 ' HB3' ' B' ' 30' ' ' ARG . 23.7 t -68.56 -49.02 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 O-C-N 120.96 -1.087 . . . . 0.0 111.09 163.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 48.1 tp -54.43 -48.48 71.62 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 123.789 0.836 . . . . 0.0 110.466 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.556 HG12 ' HB3' ' B' ' 130' ' ' TYR . 3.1 m -60.94 -30.8 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 119.001 0.818 . . . . 0.0 112.278 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 9.1 t -76.59 -41.65 45.5 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.96 0.904 . . . . 0.0 112.253 -174.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' VAL . . . . . 0.591 HG11 ' HA ' ' B' ' 27' ' ' ALA . 0.1 OUTLIER -62.35 -39.9 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 O-C-N 120.907 -1.121 . . . . 0.0 112.236 172.75 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.65 -44.69 95.63 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.562 1.528 . . . . 0.0 109.193 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.08 -31.25 65.05 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 171.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -50.6 28.02 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.301 0.955 . . . . 0.0 112.682 173.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -74.71 -20.95 59.64 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -175.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -125.25 42.2 3.34 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.778 2.031 . . . . 0.0 110.903 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -53.5 -29.56 39.68 Favored Glycine 0 N--CA 1.474 1.207 0 C-N-CA 124.918 1.247 . . . . 0.0 115.829 -177.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -80.46 -2.23 44.99 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.914 1.286 . . . . 0.0 114.005 174.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -138.2 2.75 2.34 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.066 2.146 . . . . 0.0 113.361 -170.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -71.43 19.79 0.06 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 117.328 2.344 . . . . 0.0 117.328 -168.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 27.0 p -32.58 144.56 0.12 Allowed Pre-proline 0 N--CA 1.486 1.364 0 C-N-CA 127.827 2.451 . . . . 0.0 115.683 -157.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -42.85 -47.17 8.27 Favored 'Trans proline' 0 CA--C 1.552 1.383 0 C-N-CA 122.237 1.958 . . . . 0.0 115.753 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.83 -22.22 23.86 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.328 2.019 . . . . 0.0 115.822 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 1.1 t -51.14 -53.05 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 CA-C-N 121.705 2.048 . . . . 0.0 110.222 170.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -43.99 97.51 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.328 -0.858 . . . . 0.0 111.989 -178.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.32 96.99 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 121.817 -0.552 . . . . 0.0 112.466 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.55 81.25 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.2 0.6 . . . . 0.0 111.045 174.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.556 ' HB3' HG12 ' B' ' 111' ' ' VAL . 43.0 m-85 -56.52 -49.56 74.39 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 118.485 -0.769 . . . . 0.0 111.702 170.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -54.39 -37.04 64.56 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.722 1.147 . . . . 0.0 113.017 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -71.31 -41.7 69.57 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 120.642 1.565 . . . . 0.0 114.569 177.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 2.9 p -66.22 -43.01 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 CA-C-N 120.64 1.564 . . . . 0.0 111.113 171.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 28.6 t -58.63 -48.55 85.4 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 C-N-CA 124.464 1.106 . . . . 0.0 111.029 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.08 97.71 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.222 1.009 . . . . 0.0 112.158 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.17 -48.39 83.19 Favored Glycine 0 N--CA 1.471 0.982 0 O-C-N 121.76 -0.587 . . . . 0.0 112.978 175.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.11 -42.11 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 118.093 0.946 . . . . 0.0 111.127 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 138' ' ' ALA . . . . . 0.415 ' HB1' ' CD2' ' B' ' 103' ' ' PHE . . . -58.11 -47.02 84.55 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.341 1.056 . . . . 0.0 110.966 174.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -59.64 -37.79 79.62 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.242 -0.911 . . . . 0.0 112.604 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.64 96.53 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.741 0.701 . . . . 0.0 111.879 171.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.55 -39.78 92.34 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.892 1.223 . . . . 0.0 112.224 174.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.01 -10.01 50.23 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 172.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -60.9 -26.79 67.69 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 120.585 1.539 . . . . 0.0 114.204 -174.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -84.19 -13.34 53.03 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.212 1.005 . . . . 0.0 113.583 173.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -95.55 -33.32 12.45 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.984 1.714 . . . . 0.0 111.928 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.257 1.461 0 C-N-CA 129.797 3.239 . . . . 0.0 117.711 174.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.514 2.747 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -137.73 -177.23 4.71 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 121.552 1.978 . . . . 0.0 112.919 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.01 -163.4 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 126.182 1.793 . . . . 0.0 112.01 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -102.55 -38.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 123.159 2.573 . . . . 0.0 115.135 169.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.63 -32.21 71.92 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.633 -1.292 . . . . 0.0 112.77 -174.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -59.31 -48.65 80.84 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 125.051 1.341 . . . . 0.0 112.63 166.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -55.65 -49.07 73.86 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.042 0.837 . . . . 0.0 109.813 174.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 80.2 m -55.5 -50.12 70.77 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.51 0.724 . . . . 0.0 112.357 176.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -61.61 -39.57 91.73 Favored 'General case' 0 C--O 1.224 -0.268 0 O-C-N 121.659 -0.65 . . . . 0.0 112.236 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 41.5 t -65.32 -44.12 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 124.003 0.921 . . . . 0.0 111.402 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -61.63 -46.22 90.72 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.5 1.045 . . . . 0.0 111.389 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.68 -52.66 64.54 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.26 0.624 . . . . 0.0 111.365 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.54 -51.62 68.72 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.54 1.136 . . . . 0.0 111.787 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -66.37 -27.17 67.66 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.255 -0.903 . . . . 0.0 113.108 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.95 -41.48 94.33 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.339 0.971 . . . . 0.0 112.936 167.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -69.71 -35.0 74.68 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 118.388 1.094 . . . . 0.0 111.792 171.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' C' ' 21' ' ' ALA . 87.0 t -65.83 -26.97 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 125.008 1.323 . . . . 0.0 113.706 177.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -35.89 123.0 0.69 Allowed Glycine 0 CA--C 1.54 1.64 0 C-N-CA 125.196 1.379 . . . . 0.0 114.412 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 78.9 -39.29 0.23 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 129.163 2.985 . . . . 0.0 114.611 -173.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -75.37 -17.41 60.23 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.205 1.002 . . . . 0.0 113.608 175.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -38.48 -54.47 1.49 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 127.395 2.278 . . . . 0.0 114.501 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.38 -32.48 64.99 Favored Glycine 0 N--CA 1.466 0.634 0 O-C-N 121.755 -0.591 . . . . 0.0 114.106 -178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -59.31 -45.98 89.82 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.995 0.918 . . . . 0.0 109.489 170.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' TYR . . . . . 0.515 ' HA ' HG21 ' C' ' 108' ' ' THR . 13.0 m-30 -65.93 -39.88 90.9 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.62 -46.98 93.39 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 123.182 0.42 . . . . 0.0 112.671 171.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.44 -45.77 90.64 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 117.956 0.878 . . . . 0.0 112.076 177.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.09 -41.15 97.9 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.197 0.599 . . . . 0.0 112.326 174.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.12 -45.87 89.96 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.87 -0.519 . . . . 0.0 112.15 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 74.9 mt -56.36 -54.21 48.19 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.147 0.979 . . . . 0.0 110.996 175.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -58.27 -40.79 82.82 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.881 0.472 . . . . 0.0 111.9 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.5 ttm105 -61.58 -35.17 77.05 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 117.337 -1.316 . . . . 0.0 113.017 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 13.3 mtm -61.29 -45.98 92.23 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 120.434 1.47 . . . . 0.0 111.486 171.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -66.45 -15.8 63.61 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -111.27 -22.73 11.22 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.744 1.217 . . . . 0.0 113.336 174.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 82.4 p -80.08 -36.47 35.45 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.894 1.225 . . . . 0.0 113.53 172.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -130.51 80.33 70.43 Favored Pre-proline 0 CA--C 1.541 0.63 0 C-N-CA 127.574 2.35 . . . . 0.0 109.354 -175.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.39 -17.09 3.85 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 123.755 2.97 . . . . 0.0 115.686 175.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 5.6 p -54.61 -31.37 57.01 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.269 1.427 . . . . 0.0 113.987 166.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' THR . . . . . 0.452 HG22 ' ND2' ' C' ' 97' ' ' ASN . 12.4 p -63.09 -39.1 93.71 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.779 1.627 . . . . 0.0 111.572 174.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -56.23 -37.54 69.87 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.735 1.614 . . . . 0.0 112.703 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.25 -24.69 66.56 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 177.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -67.73 -12.54 60.75 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.272 -0.893 . . . . 0.0 112.509 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 32.46 57.5 1.32 Allowed Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 127.208 2.203 . . . . 0.0 112.906 -177.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -77.91 64.07 8.2 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 124.243 3.295 . . . . 0.0 112.625 -162.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.29 3.4 p-80 49.45 20.67 0.49 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 128.734 2.814 . . . . 0.0 115.957 -168.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -111.87 149.24 32.12 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.181 1.392 . . . . 0.0 112.075 -173.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.34 -18.53 6.75 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.928 1.691 . . . . 0.0 113.34 -173.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt 51.72 38.08 21.94 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.634 1.574 . . . . 0.0 113.754 175.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 66.4 p -67.28 22.49 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 127.977 2.511 . . . . 0.0 117.003 -172.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 m80 73.48 114.16 0.06 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 128.653 2.781 . . . . 0.0 112.832 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.97 25.64 70.9 Favored Glycine 0 CA--C 1.539 1.583 0 O-C-N 121.535 -0.728 . . . . 0.0 113.988 -174.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 88.0 p -64.96 142.06 58.57 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.382 1.073 . . . . 0.0 113.365 -169.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.94 -33.23 75.24 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.549 -0.719 . . . . 0.0 112.636 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.5 -40.95 98.41 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 95.7 t -71.13 -44.4 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 CA-C-N 119.863 1.21 . . . . 0.0 111.326 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.9 -44.52 95.88 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 118.732 0.696 . . . . 0.0 111.973 174.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.22 -51.64 57.61 Favored Glycine 0 N--CA 1.47 0.962 0 C-N-CA 124.042 0.829 . . . . 0.0 112.32 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -58.65 -41.51 86.21 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.654 -0.91 . . . . 0.0 111.724 174.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.84 -49.68 46.97 Favored Glycine 0 CA--C 1.532 1.117 0 O-C-N 121.537 -0.727 . . . . 0.0 113.277 170.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -44.6 87.39 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.355 1.078 . . . . 0.0 112.159 173.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 61' ' ' LYS . . . . . 0.478 ' HB3' HMA3 ' C' ' 201' ' ' HEC . 10.5 mmpt? -59.43 -54.19 49.5 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 119.499 1.045 . . . . 0.0 111.939 175.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 86.3 t -53.77 -42.0 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.112 0.965 . . . . 0.0 110.751 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 63' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -65.8 -45.62 81.69 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 176.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -61.6 -35.59 78.28 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 120.098 1.317 . . . . 0.0 112.387 174.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.59 98.47 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.281 -0.887 . . . . 0.0 112.382 169.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.0 -43.21 86.52 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 118.92 -0.562 . . . . 0.0 111.334 170.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 21.1 m -59.12 -45.57 90.56 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.928 1.24 . . . . 0.0 111.877 173.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -34.39 78.3 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.575 1.079 . . . . 0.0 111.824 177.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.65 -48.77 79.32 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.033 169.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 97.1 t -56.79 -45.53 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 120.091 1.314 . . . . 0.0 111.463 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.59 -25.29 67.24 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -141.11 31.65 1.76 Allowed 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 124.236 1.014 . . . . 0.0 112.74 -167.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 6.3 p -61.24 -16.19 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 119.352 -2.093 . . . . 0.0 115.879 -162.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -102.17 -0.27 33.47 Favored 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 172.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -130.82 -0.67 4.25 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 128.216 2.606 . . . . 0.0 113.301 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -60.77 -15.86 0.31 Allowed Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 117.357 2.354 . . . . 0.0 117.357 -177.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -47.51 -29.43 10.31 Favored 'Trans proline' 0 C--N 1.358 1.046 0 CA-C-N 123.667 2.345 . . . . 0.0 115.69 163.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.48 -40.12 15.61 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.231 0.923 . . . . 0.0 113.14 170.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.73 -24.81 61.03 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 80.1 mt -97.35 2.65 50.83 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.975 1.31 . . . . 0.0 112.625 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -53.84 -40.86 66.83 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 120.066 1.303 . . . . 0.0 113.932 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.73 -15.47 29.64 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 175.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mt -109.41 -31.27 7.59 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.399 1.88 . . . . 0.0 111.092 -172.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 14.6 m -56.19 -42.46 77.18 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 119.255 -0.402 . . . . 0.0 110.353 153.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -61.97 -32.09 72.5 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.573 1.079 . . . . 0.0 112.968 172.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.2 -66.1 0.56 Allowed 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.052 1.297 . . . . 0.0 108.716 162.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -61.11 -10.12 5.75 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 -173.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.9 -11.7 7.61 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.667 1.587 . . . . 0.0 114.715 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -134.69 -1.51 2.76 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 120.065 1.302 . . . . 0.0 114.359 175.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.81 98.62 2.21 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.822 1.249 . . . . 0.0 112.092 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 7.6 mt 69.93 81.22 0.17 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.349 1.459 . . . . 0.0 110.942 -175.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -63.63 -6.03 4.81 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 116.148 1.907 . . . . 0.0 116.148 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 24.7 t -1.58 114.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 130.001 3.32 . . . . 0.0 115.216 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -34.81 124.09 0.55 Allowed Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 124.976 1.311 . . . . 0.0 112.783 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -43.0 -13.16 0.04 OUTLIER 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 125.0 3.8 . . . . 0.0 116.965 168.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 5.4 p -42.28 -40.63 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 121.138 1.79 . . . . 0.0 112.808 161.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 97' ' ' ASN . . . . . 0.452 ' ND2' HG22 ' C' ' 39' ' ' THR . 27.0 m120 -73.68 -25.52 60.29 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 117.67 -1.157 . . . . 0.0 113.018 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 98' ' ' PHE . . . . . 0.461 ' C ' ' CD1' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -57.82 -52.62 64.7 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 120.124 1.329 . . . . 0.0 109.038 166.868 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -55.9 -38.07 69.71 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.011 0.924 . . . . 0.0 111.623 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 78.2 mt -69.7 -47.86 61.67 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 119.011 -0.519 . . . . 0.0 111.388 175.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.84 -42.94 98.76 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.332 0.969 . . . . 0.0 112.274 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 82.0 p -68.19 -45.95 72.01 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.211 0.914 . . . . 0.0 112.179 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -64.59 -44.44 90.65 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.514 1.052 . . . . 0.0 111.86 172.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 62.9 m -62.09 -38.65 89.65 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.186 -0.946 . . . . 0.0 112.446 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 22.1 mt -59.74 -54.8 42.08 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.705 1.139 . . . . 0.0 110.768 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 46.2 mt -49.45 -43.58 45.05 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.814 1.188 . . . . 0.0 111.746 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.91 -42.82 97.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 123.776 0.83 . . . . 0.0 112.321 175.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 108' ' ' THR . . . . . 0.515 HG21 ' HA ' ' C' ' 24' ' ' TYR . 3.0 m -63.79 -45.89 87.64 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.275 1.398 . . . . 0.0 112.482 171.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.11 -48.48 75.93 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.925 -0.56 . . . . 0.0 109.649 -177.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -48.77 -44.5 38.85 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.97 0.908 . . . . 0.0 113.09 171.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.1 -38.5 56.83 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -116.36 -34.67 4.54 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -168.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 3.1 tt -73.13 125.33 91.03 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 171.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -70.88 71.95 2.04 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.245 2.63 . . . . 0.0 111.128 171.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.23 11.52 0.22 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.832 2.053 . . . . 0.0 113.461 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 49.68 21.23 0.62 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.413 2.285 . . . . 0.0 113.775 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 13.9 p90 36.94 27.08 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.454 2.302 . . . . 0.0 115.572 -165.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.92 155.23 92.25 Favored Pre-proline 0 N--CA 1.479 0.976 0 O-C-N 120.507 -1.37 . . . . 0.0 111.815 -173.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.87 -46.86 5.77 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.076 1.851 . . . . 0.0 110.968 173.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.07 98.93 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 118.939 -0.553 . . . . 0.0 112.092 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 90.4 t -65.94 -41.92 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 120.172 1.351 . . . . 0.0 112.348 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -37.55 87.88 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.351 0.978 . . . . 0.0 112.218 173.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.58 -55.24 37.62 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 117.969 0.349 . . . . 0.0 110.525 171.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 15.8 m -56.97 -48.04 79.33 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.469 1.508 . . . . 0.0 112.74 -177.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.87 -43.94 91.33 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.588 0.631 . . . . 0.0 111.916 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.44 -54.91 33.28 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.548 1.067 . . . . 0.0 112.022 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -27.92 67.96 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -66.42 -49.9 65.21 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.94 0.791 . . . . 0.0 111.442 169.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.15 -32.55 68.29 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.148 -0.97 . . . . 0.0 111.749 174.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.9 -32.91 73.72 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 171.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 93.1 p -74.01 -42.5 60.27 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.125 -1.609 . . . . 0.0 111.301 170.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 94.0 t -53.59 -50.27 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.961 0.904 . . . . 0.0 110.385 173.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 133' ' ' SER . . . . . 0.412 ' CB ' ' CD1' ' C' ' 98' ' ' PHE . 96.1 p -66.17 -45.04 82.31 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 177.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 23.2 m -52.45 -44.38 65.48 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.221 0.919 . . . . 0.0 110.567 175.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.94 -47.53 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 123.012 0.525 . . . . 0.0 112.289 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -19.98 63.19 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 177.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 98.5 m -101.79 -2.56 29.81 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.1 2.16 . . . . 0.0 112.172 177.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 3.9 p -70.1 175.41 4.53 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 120.569 -1.332 . . . . 0.0 112.601 175.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -135.86 77.25 1.65 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.821 1.248 . . . . 0.0 110.813 -178.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.82 -155.57 0.64 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.366 1.066 . . . . 0.0 111.542 171.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 . . . . . 0 C--O 1.255 1.356 0 C-N-CA 126.531 1.932 . . . . 0.0 113.06 -166.866 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.33 3.6 p . . . . . 0 N--CA 1.516 2.839 0 CA-C-O 116.79 -1.576 . . . . 0.0 112.881 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 m80 21.81 73.17 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 127.841 2.456 . . . . 0.0 114.61 -175.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.51 160.55 10.98 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.953 0.501 . . . . 0.0 111.391 -176.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p -62.81 150.82 86.45 Favored Pre-proline 0 N--CA 1.48 1.049 0 CA-C-O 118.297 -0.859 . . . . 0.0 109.071 168.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -53.32 -36.85 80.03 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 122.687 2.258 . . . . 0.0 114.201 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -64.29 -47.35 79.86 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.66 1.184 . . . . 0.0 112.086 173.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -71.94 -39.56 69.35 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 121.183 -0.948 . . . . 0.0 111.746 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -45.3 72.71 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 117.732 -1.127 . . . . 0.0 111.109 168.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 24.2 t -57.18 -51.77 68.0 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.603 1.092 . . . . 0.0 111.085 171.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.05 -49.96 65.28 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' VAL . . . . . 0.448 HG23 ' CE1' ' D' ' 130' ' ' TYR . 7.3 p -69.37 -57.55 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 121.494 -0.754 . . . . 0.0 112.287 174.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 4.3 m -68.35 -36.38 79.16 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.008 -1.058 . . . . 0.0 111.961 -167.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.68 -37.49 84.86 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.146 0.885 . . . . 0.0 111.992 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.74 -41.64 83.11 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.387 -0.821 . . . . 0.0 110.362 173.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -18.62 19.44 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 166.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.03 -34.08 43.23 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.991 1.281 . . . . 0.0 113.791 174.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.1 -15.24 19.07 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 118.866 1.333 . . . . 0.0 114.189 174.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.61 142.32 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.419 1.088 . . . . 0.0 112.885 -177.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -91.41 90.31 7.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.069 0.948 . . . . 0.0 108.873 177.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.18 -38.76 62.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -167.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -62.17 -47.74 83.15 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.702 0.683 . . . . 0.0 112.562 173.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -82.86 -50.98 8.06 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 122.66 0.384 . . . . 0.0 111.044 -169.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -32.79 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 O-C-N 121.552 -0.718 . . . . 0.0 111.657 172.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.03 -47.32 24.84 Favored Glycine 0 C--N 1.34 0.79 0 CA-C-N 119.18 0.9 . . . . 0.0 111.475 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.0 -38.5 95.61 Favored Glycine 0 N--CA 1.466 0.693 0 CA-C-N 117.774 0.787 . . . . 0.0 112.944 170.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -64.51 -42.49 95.76 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 117.847 -1.073 . . . . 0.0 111.857 170.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 27' ' ' ALA . . . . . 0.588 ' HA ' HG11 ' D' ' 113' ' ' VAL . . . -65.07 -53.15 50.13 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 121.867 2.121 . . . . 0.0 112.693 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.3 -34.05 74.1 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 118.494 -0.765 . . . . 0.0 111.264 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.88 -48.92 71.74 Favored Glycine 0 N--CA 1.465 0.568 0 CA-C-N 119.263 0.938 . . . . 0.0 112.235 171.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 30' ' ' ARG . . . . . 0.404 ' HB3' HG13 ' D' ' 109' ' ' VAL . 0.4 OUTLIER -51.74 -37.68 52.16 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 118.687 1.244 . . . . 0.0 111.591 173.383 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 31' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' D' ' 106' ' ' LEU . 23.4 tp -52.51 -45.63 66.31 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.327 1.421 . . . . 0.0 112.293 175.021 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 32' ' ' LEU . . . . . 0.671 HD13 HD12 ' D' ' 48' ' ' LEU . 6.9 mt -71.83 -32.95 68.06 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.116 1.766 . . . . 0.0 111.395 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.79 -48.06 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 118.29 0.496 . . . . 0.0 111.678 174.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.28 -43.06 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.812 1.645 . . . . 0.0 110.607 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -123.32 99.0 40.59 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 124.255 1.022 . . . . 0.0 110.97 174.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -67.44 -16.4 47.5 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.377 2.051 . . . . 0.0 113.102 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -45.26 69.15 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.608 1.094 . . . . 0.0 110.705 170.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.99 -14.34 9.06 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.56 1.544 . . . . 0.0 113.479 -176.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 39' ' ' GLN . . . . . 0.403 ' HG3' HD21 ' D' ' 48' ' ' LEU . 7.3 tt0 -53.25 -23.63 9.35 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.634 1.174 . . . . 0.0 113.366 170.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -39.63 64.66 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 121.772 2.078 . . . . 0.0 112.112 173.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -83.6 10.36 9.33 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 42' ' ' PHE . . . . . 0.463 ' HB2' HD22 ' D' ' 48' ' ' LEU . 0.4 OUTLIER -61.01 -15.26 29.86 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 171.457 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -52.82 -27.71 19.44 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 119.078 0.854 . . . . 0.0 112.814 172.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -84.37 -41.8 16.36 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.073 0.949 . . . . 0.0 113.268 167.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -69.07 -26.45 64.96 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.39 -43.92 1.87 Allowed Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.488 1.518 . . . . 0.0 116.348 168.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -96.93 -111.93 0.15 Allowed 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.629 1.214 . . . . 0.0 109.097 171.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 48' ' ' LEU . . . . . 0.671 HD12 HD13 ' D' ' 32' ' ' LEU . 0.0 OUTLIER 58.39 -9.0 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 116.069 1.877 . . . . 0.0 116.069 -177.423 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.29 -15.34 2.37 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.799 2.039 . . . . 0.0 116.204 -169.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 50' ' ' THR . . . . . 0.491 ' H ' ' HB3' ' D' ' 53' ' ' ALA . 19.3 p -140.0 162.14 51.99 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 127.228 2.211 . . . . 0.0 109.092 173.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.47 -43.62 56.01 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.743 2.295 . . . . 0.0 113.192 173.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.42 -43.08 99.68 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.528 -0.733 . . . . 0.0 111.936 174.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 53' ' ' ALA . . . . . 0.491 ' HB3' ' H ' ' D' ' 50' ' ' THR . . . -57.94 -44.98 87.27 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.071 175.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 38.6 t -50.16 -47.58 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 CA-C-N 119.92 1.236 . . . . 0.0 112.578 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mmt -75.42 -27.8 59.13 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -174.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.75 -6.42 56.24 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.202 0.906 . . . . 0.0 115.205 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.72 112.39 5.25 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 125.88 1.672 . . . . 0.0 112.416 -173.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.91 -41.15 56.21 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.133 2.556 . . . . 0.0 113.611 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -63.4 -36.56 84.13 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.976 -1.077 . . . . 0.0 112.553 174.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.96 -36.73 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 CA-C-N 120.408 1.458 . . . . 0.0 111.813 173.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -63.43 -51.38 65.97 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 119.303 0.956 . . . . 0.0 111.917 170.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.55 96.48 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.45 1.1 . . . . 0.0 113.612 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -70.97 -34.52 71.5 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.38 1.472 . . . . 0.0 111.076 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.59 -43.59 98.76 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 125.826 1.679 . . . . 0.0 113.051 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -56.31 -44.75 80.21 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.277 1.039 . . . . 0.0 111.675 166.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -52.11 66.64 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.261 0.937 . . . . 0.0 112.572 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 9.5 m -58.75 -39.87 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.681 1.128 . . . . 0.0 111.615 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 tt -71.65 -40.33 69.74 Favored 'General case' 0 C--O 1.222 -0.36 0 O-C-N 120.959 -1.088 . . . . 0.0 112.704 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.98 -40.61 50.93 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 124.35 0.976 . . . . 0.0 111.498 171.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.28 -49.46 71.76 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 169.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -57.6 -37.24 72.91 Favored 'General case' 0 CA--C 1.556 1.206 0 O-C-N 119.85 -1.781 . . . . 0.0 113.046 174.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 75.3 m -66.93 -46.26 75.33 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.777 1.631 . . . . 0.0 113.483 172.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -56.9 -27.49 60.8 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.891 0.769 . . . . 0.0 111.86 171.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.24 -60.78 7.07 Favored Glycine 0 C--N 1.34 0.768 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 168.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.62 -24.09 54.59 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.92 -15.46 41.59 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.733 1.613 . . . . 0.0 114.569 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -149.64 36.51 0.72 Allowed 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -170.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 89.0 mt -56.55 -18.11 10.67 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.429 1.492 . . . . 0.0 114.755 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -54.89 -38.35 67.44 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.627 1.571 . . . . 0.0 113.511 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.89 87.25 0.93 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.632 1.173 . . . . 0.0 111.158 176.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.47 -44.32 96.67 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.705 -0.622 . . . . 0.0 111.7 175.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -61.08 -15.9 37.93 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 120.557 -1.339 . . . . 0.0 113.82 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.66 -14.46 49.98 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 126.008 1.766 . . . . 0.0 115.637 176.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.9 m -113.09 -26.38 8.48 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 118.851 1.326 . . . . 0.0 112.403 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -95.23 4.75 53.2 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.563 1.145 . . . . 0.0 113.122 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.23 -38.91 71.73 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 7.1 p -67.22 -35.45 79.6 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.186 -0.947 . . . . 0.0 112.223 173.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 35.8 mt -77.39 -33.54 55.08 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 118.963 -0.541 . . . . 0.0 112.374 176.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 99.5 p -70.43 -38.54 74.57 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 120.491 1.496 . . . . 0.0 111.723 173.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.47 -47.2 86.42 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.031 0.533 . . . . 0.0 112.078 166.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 47.1 tp -55.79 -53.78 52.5 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 120.908 -1.12 . . . . 0.0 111.747 175.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -80.95 24.43 0.5 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.638 1.175 . . . . 0.0 113.831 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 42.5 t -145.73 -63.1 0.33 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.615 0.766 . . . . 0.0 112.46 169.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.56 -36.22 78.47 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.817 -1.177 . . . . 0.0 113.111 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.24 -35.5 12.43 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 174.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 17.1 mt -136.7 69.15 1.42 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.329 1.852 . . . . 0.0 109.986 -172.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -69.68 26.08 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.1 0 O-C-N 120.714 -1.241 . . . . 0.0 114.343 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 7.4 p -43.79 150.37 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 126.944 2.098 . . . . 0.0 111.568 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.34 128.38 1.74 Allowed Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 123.535 0.734 . . . . 0.0 112.155 171.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.57 -46.07 7.8 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 121.363 1.375 . . . . 0.0 110.973 -172.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.67 -40.04 0.85 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.381 1.872 . . . . 0.0 115.66 -177.006 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 102' ' ' ASN . . . . . 0.407 ' OD1' HBC2 ' D' ' 201' ' ' HEC . 5.9 t-20 -56.91 -26.95 60.24 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 176.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 103' ' ' PHE . . . . . 0.415 ' CD2' ' HB1' ' D' ' 138' ' ' ALA . 0.0 OUTLIER -56.19 -38.27 70.73 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 120.311 1.414 . . . . 0.0 112.907 170.828 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -86.47 -38.05 17.68 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 125.244 1.418 . . . . 0.0 109.733 -176.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.27 -46.6 88.09 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.906 170.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 106' ' ' LEU . . . . . 0.423 ' HA ' HD13 ' D' ' 31' ' ' LEU . 5.0 tt -57.74 -45.15 86.22 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.408 1.004 . . . . 0.0 111.517 172.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.02 -53.64 42.98 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 115.029 0.772 . . . . 0.0 115.029 172.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.42 -23.95 63.77 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.668 -1.489 . . . . 0.0 112.195 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 109' ' ' VAL . . . . . 0.404 HG13 ' HB3' ' D' ' 30' ' ' ARG . 23.5 t -68.68 -48.82 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 121.037 -1.039 . . . . 0.0 111.087 163.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 48.5 tp -54.51 -48.44 71.91 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 123.737 0.815 . . . . 0.0 110.445 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 111' ' ' VAL . . . . . 0.549 HG12 ' HB3' ' D' ' 130' ' ' TYR . 3.1 m -60.85 -30.89 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 119.068 0.849 . . . . 0.0 112.113 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 9.2 t -76.66 -41.61 44.97 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.003 0.921 . . . . 0.0 112.305 -174.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 113' ' ' VAL . . . . . 0.588 HG11 ' HA ' ' D' ' 27' ' ' ALA . 0.1 OUTLIER -62.35 -40.06 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 O-C-N 120.952 -1.093 . . . . 0.0 112.101 172.791 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -44.87 95.41 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.712 1.597 . . . . 0.0 109.14 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.21 -30.78 64.85 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 171.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.26 -50.43 27.3 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.29 0.95 . . . . 0.0 112.576 173.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -74.81 -20.88 59.6 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.323 0.861 . . . . 0.0 113.323 -175.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -125.32 42.34 3.31 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.736 2.015 . . . . 0.0 110.857 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -53.59 -29.46 40.13 Favored Glycine 0 N--CA 1.476 1.327 0 C-N-CA 124.81 1.195 . . . . 0.0 115.828 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -80.39 -2.25 44.78 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.828 1.251 . . . . 0.0 114.081 174.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -138.11 2.69 2.35 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 127.061 2.145 . . . . 0.0 113.294 -170.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -71.55 20.13 0.06 Allowed 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -168.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 26.9 p -32.69 144.39 0.13 Allowed Pre-proline 0 N--CA 1.487 1.395 0 C-N-CA 127.692 2.397 . . . . 0.0 115.737 -158.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -42.89 -46.88 8.5 Favored 'Trans proline' 0 CA--C 1.55 1.29 0 C-N-CA 122.08 1.854 . . . . 0.0 115.864 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.76 -22.51 23.71 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.397 2.065 . . . . 0.0 115.774 173.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 1.1 t -51.14 -52.9 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 121.647 2.021 . . . . 0.0 110.337 170.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -43.99 97.47 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 121.366 -0.834 . . . . 0.0 112.022 -178.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.35 97.07 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 121.75 -0.594 . . . . 0.0 112.346 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.67 80.77 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.263 0.625 . . . . 0.0 110.905 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 130' ' ' TYR . . . . . 0.549 ' HB3' HG12 ' D' ' 111' ' ' VAL . 42.8 m-85 -56.6 -49.33 75.26 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 118.469 -0.777 . . . . 0.0 111.73 170.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -54.4 -37.18 64.77 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.741 1.155 . . . . 0.0 112.966 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -71.24 -41.81 69.67 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.613 1.551 . . . . 0.0 114.523 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 2.8 p -66.22 -42.88 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 CA-C-N 120.587 1.54 . . . . 0.0 111.117 171.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 29.0 t -58.66 -48.67 85.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 C-N-CA 124.453 1.101 . . . . 0.0 110.922 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.97 97.9 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.272 1.029 . . . . 0.0 112.138 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.16 -48.57 82.04 Favored Glycine 0 N--CA 1.471 0.974 0 O-C-N 121.741 -0.599 . . . . 0.0 112.882 175.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -42.12 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.118 0.959 . . . . 0.0 111.128 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 138' ' ' ALA . . . . . 0.415 ' HB1' ' CD2' ' D' ' 103' ' ' PHE . . . -58.1 -47.02 84.5 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.301 1.04 . . . . 0.0 111.057 174.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -59.51 -37.92 79.56 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.328 -0.857 . . . . 0.0 112.699 173.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.35 -43.72 96.9 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.657 0.662 . . . . 0.0 111.988 171.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 15.3 mt -61.47 -39.97 92.84 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.714 1.143 . . . . 0.0 112.197 174.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.95 -9.88 48.86 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 172.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -61.01 -26.68 67.78 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.566 1.53 . . . . 0.0 114.179 -174.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -84.3 -13.25 52.95 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.136 0.975 . . . . 0.0 113.524 173.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -95.58 -33.22 12.47 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.016 1.726 . . . . 0.0 111.923 179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.254 1.333 0 C-N-CA 129.832 3.253 . . . . 0.0 117.69 174.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.471 HMA3 ' HB3' ' A' ' 61' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 201' ' ' HEC . . . . . 0.44 ' HHC' HBB3 ' B' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 201' ' ' HEC . . . . . 0.478 HMA3 ' HB3' ' C' ' 61' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 201' ' ' HEC . . . . . 0.437 ' HHC' HBB3 ' D' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.253 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.684 HD13 HG22 ' A' ' 73' ' ' VAL . 1.4 mp -125.53 -134.54 0.26 Allowed 'General case' 0 CA--C 1.56 1.336 0 CA-C-N 122.68 2.491 . . . . 0.0 110.202 -171.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m 124.9 -30.07 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.98 0 C-N-CA 130.863 3.665 . . . . 0.0 117.099 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -57.87 -173.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 124.814 3.676 . . . . 0.0 116.652 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.24 -28.51 1.95 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.596 1.558 . . . . 0.0 114.587 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -57.4 -45.59 84.38 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.34 -0.85 . . . . 0.0 113.023 169.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.46 -49.65 64.23 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 120.368 1.44 . . . . 0.0 109.869 171.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.1 m -57.5 -43.43 84.19 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.764 0.711 . . . . 0.0 111.166 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -63.67 -37.67 88.24 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.629 0.772 . . . . 0.0 112.478 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.19 -47.26 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 119.645 1.111 . . . . 0.0 111.558 171.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -43.98 94.49 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 119.74 1.155 . . . . 0.0 110.855 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.21 -56.48 21.57 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.997 0.919 . . . . 0.0 110.467 173.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.421 ' HB1' HD11 ' A' ' 113' ' ' LEU . . . -53.65 -52.49 59.78 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.406 1.082 . . . . 0.0 112.053 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -65.9 -27.04 67.9 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 178.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.98 -38.04 95.41 Favored Glycine 0 CA--C 1.535 1.338 0 O-C-N 121.289 -0.882 . . . . 0.0 112.834 168.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -67.51 -40.51 85.13 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 117.906 0.853 . . . . 0.0 111.311 169.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.5 t -60.35 -48.15 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.187 0.995 . . . . 0.0 112.369 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 35.62 -119.14 0.4 Allowed Glycine 0 CA--C 1.539 1.594 0 C-N-CA 125.115 1.34 . . . . 0.0 114.919 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.1 -25.44 66.22 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -68.28 -14.56 63.08 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.296 1.039 . . . . 0.0 113.085 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.536 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -42.14 -48.97 4.87 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.977 1.311 . . . . 0.0 113.951 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.26 -31.86 65.83 Favored Glycine 0 C--N 1.338 0.64 0 CA-C-O 118.784 -1.009 . . . . 0.0 113.639 -177.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.26 -41.77 96.78 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.503 1.152 . . . . 0.0 109.995 172.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -67.17 -39.89 86.53 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 120.851 -1.156 . . . . 0.0 113.048 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.49 -48.24 86.0 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-N 118.741 0.701 . . . . 0.0 112.237 172.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.72 -51.6 68.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.308 1.043 . . . . 0.0 111.715 176.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -25.44 66.4 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.877 0.871 . . . . 0.0 113.008 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.78 -43.48 58.81 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.242 0.928 . . . . 0.0 111.725 174.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.5 mt -58.57 -47.92 82.67 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.743 0.817 . . . . 0.0 111.105 174.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -59.54 -48.33 82.06 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 119.274 -0.394 . . . . 0.0 111.633 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.17 -47.35 68.87 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.959 0.904 . . . . 0.0 112.968 172.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.569 ' HG2' HG21 ' A' ' 39' ' ' THR . 39.6 ttp -58.95 -43.01 91.18 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.517 0.599 . . . . 0.0 111.975 176.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -59.21 -56.11 26.28 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.808 0.731 . . . . 0.0 111.866 175.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.61 -23.98 61.01 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -174.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.8 p -82.6 -29.5 30.14 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.892 1.224 . . . . 0.0 113.612 172.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.49 ' O ' HG22 ' A' ' 39' ' ' THR . 14.4 m-85 -140.44 67.46 31.07 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 126.085 1.754 . . . . 0.0 110.841 -175.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -61.63 -22.01 73.42 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.882 2.388 . . . . 0.0 114.37 -170.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.7 p -55.59 -33.68 64.14 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.348 1.459 . . . . 0.0 113.318 168.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.569 HG21 ' HG2' ' A' ' 32' ' ' MET . 3.9 t -56.07 -30.54 62.14 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.525 1.13 . . . . 0.0 113.567 175.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -59.49 -30.91 68.89 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.172 1.389 . . . . 0.0 113.022 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 t -61.19 -24.42 66.3 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.534 ' CE1' ' HA ' ' A' ' 93' ' ' VAL . 0.1 OUTLIER -66.3 -15.23 63.07 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 175.01 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -146.52 84.35 7.8 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 124.285 1.034 . . . . 0.0 111.813 175.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -74.01 44.28 0.96 Allowed 'Trans proline' 0 CA--C 1.554 1.494 1 C-N-CA 125.538 4.159 . . . . 0.0 114.295 -174.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -160.55 91.06 0.89 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.689 2.396 . . . . 0.0 108.404 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -176.67 116.34 0.11 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.046 1.338 . . . . 0.0 110.225 167.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -70.08 121.32 17.24 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.23 -0.919 . . . . 0.0 109.593 164.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.4 mt -106.83 25.73 10.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.592 1.157 . . . . 0.0 112.123 -175.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.8 p -57.0 153.33 11.46 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.649 1.18 . . . . 0.0 112.362 175.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -59.44 122.27 13.56 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.652 -0.655 . . . . 0.0 110.599 176.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.98 18.47 72.28 Favored Glycine 0 CA--C 1.539 1.557 0 CA-C-O 118.931 -0.927 . . . . 0.0 114.923 -175.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -47.18 123.15 5.11 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.081 1.44 . . . . 0.0 113.61 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.68 -18.08 61.74 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.449 1.099 . . . . 0.0 113.639 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -89.57 -41.54 11.94 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.405 1.002 . . . . 0.0 111.702 173.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.1 t -63.12 -38.48 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 O-C-N 121.425 -0.797 . . . . 0.0 111.461 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.79 -41.63 97.97 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 119.355 0.979 . . . . 0.0 113.512 171.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.28 -42.38 50.08 Favored Glycine 0 N--CA 1.474 1.215 0 C-N-CA 124.026 0.822 . . . . 0.0 112.386 -177.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -61.68 -44.22 97.36 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.858 -0.789 . . . . 0.0 110.694 168.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -49.92 -52.78 24.84 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 121.121 -0.987 . . . . 0.0 113.685 172.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -55.5 -35.67 65.84 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 118.858 1.329 . . . . 0.0 113.037 174.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -70.84 -49.75 42.86 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.431 1.093 . . . . 0.0 113.539 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 49.0 t -54.65 -41.13 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 O-C-N 120.923 -1.111 . . . . 0.0 110.729 171.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.536 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -60.51 -49.96 75.45 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 173.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -34.68 75.09 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 120.377 1.444 . . . . 0.0 111.845 177.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.85 97.96 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 170.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.56 -43.11 97.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 118.023 -0.989 . . . . 0.0 111.3 171.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.4 m -56.38 -49.02 75.67 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.554 1.524 . . . . 0.0 111.921 170.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -29.76 70.18 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.504 1.502 . . . . 0.0 112.439 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.55 -50.43 51.98 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 118.899 0.772 . . . . 0.0 110.961 170.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.0 t -58.19 -43.41 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 120.059 1.3 . . . . 0.0 111.423 177.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.85 -24.72 67.93 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.018 1.327 . . . . 0.0 113.593 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -138.68 34.02 2.22 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 124.26 1.024 . . . . 0.0 111.142 -173.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.684 HG22 HD13 ' A' ' 2' ' ' LEU . 5.9 p -57.58 -20.5 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 O-C-N 120.719 -1.238 . . . . 0.0 113.712 -167.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -111.38 -0.69 16.23 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.538 1.535 . . . . 0.0 114.379 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.77 23.2 5.0 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 129.405 3.082 . . . . 0.0 110.162 -172.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -109.12 30.02 0.08 OUTLIER Pre-proline 0 CA--C 1.547 0.827 0 C-N-CA 125.895 1.678 . . . . 0.0 114.577 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -64.85 -22.82 63.01 Favored 'Trans proline' 0 C--N 1.355 0.885 0 CA-C-N 123.657 2.342 . . . . 0.0 113.268 -174.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.88 5.94 2.4 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.293 1.437 . . . . 0.0 113.527 175.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -27.06 66.48 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.001 -1.687 . . . . 0.0 113.303 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.6 mt -93.17 5.42 51.56 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.056 0.942 . . . . 0.0 112.01 173.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.6 m -60.85 -36.97 80.51 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 120.14 1.336 . . . . 0.0 113.742 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.5 -32.38 70.22 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.893 1.224 . . . . 0.0 112.291 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.76 -44.64 48.67 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.771 0.828 . . . . 0.0 110.061 173.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.7 t -54.46 -44.05 72.21 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.12 0.418 . . . . 0.0 111.63 172.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -60.14 -42.07 94.07 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.636 -1.29 . . . . 0.0 112.759 175.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tp -59.15 -59.38 5.55 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.646 -1.284 . . . . 0.0 111.4 170.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -69.76 -28.58 65.89 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.235 -0.915 . . . . 0.0 113.275 -173.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.08 -14.11 18.73 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.577 1.551 . . . . 0.0 114.167 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -124.99 -48.86 1.74 Allowed 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.701 1.137 . . . . 0.0 113.518 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -67.87 -34.71 77.21 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 119.897 1.226 . . . . 0.0 112.217 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.9 mt -118.78 -26.17 6.15 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.424 ' HE ' ' HA ' ' D' ' 40' ' ' ARG 0.327 1.3 mtt-85 42.1 53.18 4.35 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 127.806 2.442 . . . . 0.0 114.156 -170.843 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.534 ' HA ' ' CE1' ' A' ' 42' ' ' TYR . 72.1 t -76.84 125.89 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 127.361 2.265 . . . . 0.0 112.317 177.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -51.55 125.55 28.09 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 125.371 1.468 . . . . 0.0 111.052 164.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -39.41 -23.98 0.1 Allowed 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 124.806 3.671 . . . . 0.0 116.775 168.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.5 p -46.11 -42.02 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 120.494 1.497 . . . . 0.0 113.148 171.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.491 ' HB3' HMC1 ' A' ' 201' ' ' HEC . 8.2 m-20 -65.39 -33.77 76.73 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.171 -0.955 . . . . 0.0 112.537 177.124 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.46 ' C ' ' CD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -55.97 -47.34 77.83 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 119.377 0.99 . . . . 0.0 109.178 171.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -56.09 -43.45 78.04 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.786 0.721 . . . . 0.0 110.356 -176.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.0 mt -63.02 -55.03 29.17 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.085 0.954 . . . . 0.0 111.008 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 23.3 tp -56.17 -43.23 78.18 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.482 0.713 . . . . 0.0 112.606 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.4 t -66.53 -44.45 82.42 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.382 1.473 . . . . 0.0 112.828 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -57.01 -46.98 81.93 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.596 -0.69 . . . . 0.0 111.22 169.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 74.4 m -65.55 -33.89 76.98 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 118.522 -0.751 . . . . 0.0 112.891 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.84 -50.78 70.89 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 119.708 1.14 . . . . 0.0 110.866 167.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.8 mt -53.0 -40.58 63.91 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 120.181 1.355 . . . . 0.0 112.038 175.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.5 t -60.8 -53.23 51.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 118.881 -0.58 . . . . 0.0 112.423 171.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.2 p -68.57 -42.09 78.77 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.601 1.091 . . . . 0.0 112.413 -175.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -55.35 -61.69 2.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.106 -0.949 . . . . 0.0 108.821 170.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -50.87 -38.66 50.74 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.851 1.205 . . . . 0.0 112.937 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.31 -23.26 57.28 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 117.522 2.415 . . . . 0.0 117.522 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -127.02 -41.55 1.79 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.72 1.146 . . . . 0.0 112.929 -173.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.421 HD11 ' HB1' ' A' ' 13' ' ' ALA . 3.7 tt -65.57 123.08 83.56 Favored Pre-proline 0 CA--C 1.545 0.761 0 N-CA-C 107.513 -1.292 . . . . 0.0 107.513 168.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.87 75.65 1.66 Allowed 'Trans proline' 0 CA--C 1.537 0.668 0 C-N-CA 123.057 2.505 . . . . 0.0 110.292 171.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.76 10.17 0.22 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.004 1.322 . . . . 0.0 112.672 174.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 42.67 25.78 0.05 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.751 2.42 . . . . 0.0 113.016 -164.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 21.2 p90 39.01 14.36 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.812 2.445 . . . . 0.0 116.564 -162.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.78 155.32 82.98 Favored Pre-proline 0 N--CA 1.472 0.658 0 CA-C-N 120.001 1.273 . . . . 0.0 111.869 -161.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.441 ' HA ' HG21 ' B' ' 33' ' ' VAL . 63.6 Cg_endo -63.02 -45.8 11.9 Favored 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 121.282 1.321 . . . . 0.0 110.855 175.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.79 -24.73 66.99 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.861 -1.149 . . . . 0.0 113.471 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.8 t -86.96 -37.47 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 CA-C-N 119.959 1.254 . . . . 0.0 112.721 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -66.98 -35.46 80.0 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 120.086 -1.634 . . . . 0.0 111.574 169.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.82 -53.51 57.36 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 118.766 -0.635 . . . . 0.0 110.424 169.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.2 p -58.91 -47.0 86.57 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.37 -44.05 95.88 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.511 -0.757 . . . . 0.0 111.774 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.26 -56.48 12.5 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 120.291 1.405 . . . . 0.0 111.855 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -33.53 70.32 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.127 0.421 . . . . 0.0 111.464 -177.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -66.91 -54.5 21.48 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 118.449 -0.786 . . . . 0.0 111.26 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.84 -37.21 70.96 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.692 0.678 . . . . 0.0 111.085 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.24 -30.51 71.15 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 171.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.5 m -81.34 -37.25 28.61 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 120.275 -1.516 . . . . 0.0 112.481 170.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.2 t -52.16 -50.98 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 119.363 0.983 . . . . 0.0 108.796 169.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.0 p -63.75 -48.79 75.56 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-O 117.05 -1.452 . . . . 0.0 113.025 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 52.3 m -51.53 -38.15 52.84 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 121.039 1.745 . . . . 0.0 112.158 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 58.6 t -71.11 -48.92 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 O-C-N 121.065 -1.022 . . . . 0.0 111.184 172.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -3.26 1.97 Allowed 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 44.1 p -126.37 3.46 6.99 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 127.276 2.23 . . . . 0.0 111.267 176.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.0 t -56.91 147.59 23.24 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.156 1.382 . . . . 0.0 111.429 171.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -128.51 104.32 7.62 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.283 1.433 . . . . 0.0 109.006 -171.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -68.68 -34.34 75.51 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 . . . . . 0 C--O 1.25 1.128 0 C-N-CA 124.058 0.943 . . . . 0.0 111.475 173.11 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.288 2.2 p . . . . . 0 N--CA 1.516 2.841 0 CA-C-O 117.93 -1.033 . . . . 0.0 113.041 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 35.62 80.72 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 127.759 2.424 . . . . 0.0 116.084 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.3 159.06 15.85 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.086 -1.009 . . . . 0.0 111.996 177.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.5 141.85 93.65 Favored Pre-proline 0 N--CA 1.478 0.971 0 CA-C-O 117.941 -1.028 . . . . 0.0 109.632 168.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -47.63 -43.85 27.24 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.453 3.435 . . . . 0.0 116.387 -175.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.5 -39.94 94.72 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.372 -0.83 . . . . 0.0 112.487 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.87 -44.25 66.76 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.653 176.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -47.7 65.3 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.531 1.132 . . . . 0.0 111.453 169.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.5 t -55.7 -52.12 64.95 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.858 0.753 . . . . 0.0 110.755 173.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.22 -49.72 73.3 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.532 HG23 ' CZ ' ' B' ' 130' ' ' TYR . 2.6 p -65.69 -55.51 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-N 119.644 1.111 . . . . 0.0 111.78 175.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -68.01 -36.13 79.47 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 118.93 0.786 . . . . 0.0 111.63 -169.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.69 94.42 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.143 0.883 . . . . 0.0 111.741 175.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.44 -39.54 88.94 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.617 -0.677 . . . . 0.0 110.515 173.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -22.03 58.73 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 166.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.87 -37.08 45.38 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.151 0.882 . . . . 0.0 113.162 173.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -88.05 -21.71 24.6 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.021 0.911 . . . . 0.0 113.378 175.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.96 135.56 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 124.613 1.165 . . . . 0.0 111.919 -173.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.13 87.0 7.18 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 90.1 t -53.79 -35.16 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 CA-C-N 119.58 1.082 . . . . 0.0 113.793 -168.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -63.0 -51.08 68.19 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.2 1.0 . . . . 0.0 112.568 172.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -86.14 -45.93 10.9 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.296 -0.878 . . . . 0.0 111.354 -170.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.68 -32.45 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-N 119.142 0.883 . . . . 0.0 110.882 169.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.93 -45.22 17.0 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 119.025 0.829 . . . . 0.0 111.941 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.45 -42.01 99.15 Favored Glycine 0 N--CA 1.468 0.795 0 CA-C-N 118.599 1.2 . . . . 0.0 112.585 170.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.56 -49.59 75.88 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.351 169.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.81 -48.45 25.24 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 121.074 1.761 . . . . 0.0 114.85 -172.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.9 tp -62.71 -46.96 85.69 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-O 117.823 -1.084 . . . . 0.0 109.248 172.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -48.18 -55.62 10.15 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 119.439 1.018 . . . . 0.0 111.573 171.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.428 ' O ' HG23 ' B' ' 34' ' ' VAL . 0.0 OUTLIER -46.93 -43.87 19.41 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 126.941 2.096 . . . . 0.0 111.31 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 tp -49.63 -49.94 45.02 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 120.53 1.513 . . . . 0.0 110.095 177.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.579 HD22 ' H ' ' B' ' 32' ' ' LEU . 1.9 mm? -68.84 -32.35 71.98 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.988 0.915 . . . . 0.0 111.771 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.441 HG21 ' HA ' ' A' ' 119' ' ' PRO . 0.9 OUTLIER -70.35 17.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 C-N-CA 124.476 1.11 . . . . 0.0 113.221 164.481 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 30' ' ' ARG . 2.3 t -111.49 17.51 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 119.084 -2.26 . . . . 0.0 111.167 166.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 2.8 t80 46.02 49.57 6.79 Favored Pre-proline 0 CA--C 1.555 1.169 0 O-C-N 120.817 -1.177 . . . . 0.0 112.23 -170.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -79.07 142.89 17.49 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 121.631 1.554 . . . . 0.0 109.265 -173.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -26.09 44.82 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.869 1.268 . . . . 0.0 113.031 172.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 23.0 p -57.11 -20.67 26.9 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 171.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -48.8 -26.78 2.57 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.396 1.078 . . . . 0.0 113.409 170.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.427 ' HA ' ' HE ' ' C' ' 92' ' ' ARG . 5.5 ptm180 -51.25 -31.94 22.61 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 121.22 1.827 . . . . 0.0 115.225 170.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.56 10.56 32.09 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.05 0.94 . . . . 0.0 112.164 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.54 -14.65 21.08 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 175.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -45.42 -31.53 1.73 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.66 1.184 . . . . 0.0 112.735 173.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -96.2 -31.2 13.08 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 170.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -61.43 -27.81 68.82 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 119.978 -1.701 . . . . 0.0 113.121 173.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.18 179.23 7.57 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.114 0.864 . . . . 0.0 113.812 -177.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 33.24 -108.09 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.377 1.871 . . . . 0.0 111.839 -167.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.52 HD12 ' HG ' ' B' ' 32' ' ' LEU . 8.8 tt 59.15 -18.93 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 127.686 2.395 . . . . 0.0 117.163 176.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 15.0 m -50.17 -21.51 1.34 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.466 1.906 . . . . 0.0 114.861 -175.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 4.7 p -132.98 157.93 77.12 Favored Pre-proline 0 CA--C 1.542 0.648 0 C-N-CA 125.641 1.576 . . . . 0.0 109.52 165.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.32 -46.41 31.51 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.696 2.264 . . . . 0.0 112.716 170.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -59.49 -41.39 89.74 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.146 -0.971 . . . . 0.0 112.16 176.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.28 -37.48 80.62 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.144 0.578 . . . . 0.0 111.819 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.72 -36.63 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 120.186 1.357 . . . . 0.0 113.25 177.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -32.06 68.83 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.928 0.785 . . . . 0.0 112.764 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.51 -6.79 62.31 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.413 1.006 . . . . 0.0 115.435 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -65.48 120.87 71.62 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-N 119.075 1.437 . . . . 0.0 112.432 -175.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -60.55 -32.44 93.51 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.385 2.723 . . . . 0.0 113.614 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.52 -33.5 66.94 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.659 -1.276 . . . . 0.0 112.84 173.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.11 -36.08 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 119.911 1.232 . . . . 0.0 110.948 171.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -59.8 -52.19 66.5 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.263 0.938 . . . . 0.0 111.897 167.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.5 98.63 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -37.29 77.95 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.42 -1.425 . . . . 0.0 110.971 172.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.39 -45.38 75.71 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 126.965 2.222 . . . . 0.0 113.945 171.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -57.33 -43.39 83.32 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.712 0.805 . . . . 0.0 112.393 169.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -53.63 33.08 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.843 0.857 . . . . 0.0 112.288 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.421 HG23 ' C2B' ' B' ' 201' ' ' HEC . 7.8 p -55.02 -43.65 70.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 119.197 0.908 . . . . 0.0 111.804 174.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.413 HD23 ' O ' ' B' ' 68' ' ' LEU . 5.1 tt -72.52 -36.37 68.31 Favored 'General case' 0 C--O 1.223 -0.304 0 O-C-N 120.937 -1.102 . . . . 0.0 113.18 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.64 -35.41 45.72 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 124.895 1.236 . . . . 0.0 112.6 170.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.72 -45.77 67.46 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 117.919 0.86 . . . . 0.0 112.479 169.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -58.58 -39.45 80.38 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 120.17 -1.581 . . . . 0.0 112.865 173.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 89.0 p -73.76 -39.73 64.0 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.613 -1.305 . . . . 0.0 113.276 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -54.74 -32.43 59.78 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.401 1.0 . . . . 0.0 111.309 164.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.9 -63.27 5.22 Favored Glycine 0 C--N 1.341 0.81 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 172.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mt -55.52 -21.57 17.4 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 177.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.55 -27.42 31.65 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.404 1.482 . . . . 0.0 114.552 171.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -147.61 52.09 1.05 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.951 1.7 . . . . 0.0 112.661 -171.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.6 -20.19 64.49 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.411 -1.43 . . . . 0.0 114.32 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -82.22 -9.12 59.61 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.176 1.791 . . . . 0.0 113.828 172.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -130.85 29.04 4.78 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.355 1.862 . . . . 0.0 112.133 -172.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.8 mt -58.09 -17.5 18.54 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 178.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -0.13 29.61 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 120.388 1.449 . . . . 0.0 113.778 174.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.09 -32.98 4.45 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.34 1.448 . . . . 0.0 114.282 -177.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.67 -16.25 21.04 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.137 0.975 . . . . 0.0 113.302 175.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -107.37 3.5 25.36 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.813 0.845 . . . . 0.0 113.164 -169.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.31 -34.5 72.4 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.4 p -65.74 -42.2 91.25 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.951 -1.093 . . . . 0.0 111.969 169.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 19.2 mt -69.57 -38.53 77.42 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 123.459 0.703 . . . . 0.0 111.966 177.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 84.2 p -67.08 -40.59 87.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 120.198 1.363 . . . . 0.0 111.566 176.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -61.22 -42.04 97.91 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.423 0.689 . . . . 0.0 112.071 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 30.5 tp -57.49 -60.04 4.26 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.118 -0.989 . . . . 0.0 111.71 170.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -74.25 18.63 0.14 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.123 1.369 . . . . 0.0 114.071 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 48.8 t -131.52 -87.66 0.47 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.173 1.389 . . . . 0.0 108.837 164.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.66 -19.89 29.74 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 -170.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.16 -42.33 6.74 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.885 0.874 . . . . 0.0 112.472 169.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.42 67.5 1.13 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.433 1.893 . . . . 0.0 112.082 -173.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.77 33.11 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 128.427 2.691 . . . . 0.0 114.746 162.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 2.1 m -47.17 146.03 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 120.543 -1.348 . . . . 0.0 111.324 167.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.24 138.99 66.24 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 123.755 0.822 . . . . 0.0 111.677 -174.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -50.7 -34.42 43.86 Favored 'Trans proline' 0 CA--C 1.536 0.59 0 C-N-CA 123.152 2.568 . . . . 0.0 115.442 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -50.83 -35.97 35.08 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.693 -1.254 . . . . 0.0 112.782 173.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -65.72 -35.79 81.75 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 118.25 -0.881 . . . . 0.0 113.271 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' PHE . . . . . 0.505 ' CD1' ' HB1' ' B' ' 138' ' ' ALA . 0.2 OUTLIER -56.76 -48.18 78.41 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.507 1.049 . . . . 0.0 109.106 168.827 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ARG . . . . . 0.413 ' N ' ' CD1' ' B' ' 103' ' ' PHE . 20.0 ttm-85 -66.09 -45.19 82.08 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 118.839 -0.6 . . . . 0.0 109.4 -171.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 7.0 mp -53.69 -44.68 69.96 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 118.19 -0.91 . . . . 0.0 112.169 173.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.06 -48.26 79.44 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.041 1.291 . . . . 0.0 111.126 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' GLY . . . . . 0.421 ' HA3' HG11 ' B' ' 134' ' ' VAL . . . -54.85 -53.59 38.71 Favored Glycine 0 CA--C 1.536 1.402 0 O-C-N 121.527 -0.733 . . . . 0.0 114.289 173.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -56.03 -36.74 68.34 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.168 1.787 . . . . 0.0 112.308 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.21 -42.24 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 O-C-N 120.643 -1.285 . . . . 0.0 111.811 176.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 47.2 tp -56.56 -50.16 72.71 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.208 0.603 . . . . 0.0 109.737 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 26.1 m -57.41 -33.23 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 97.4 m -67.4 -39.1 85.55 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.36 0.982 . . . . 0.0 112.199 175.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -68.84 -43.93 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 120.74 -1.225 . . . . 0.0 111.841 178.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -41.49 97.5 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.983 1.265 . . . . 0.0 109.816 175.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.17 -37.14 66.64 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 118.752 -0.642 . . . . 0.0 112.486 173.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -72.93 -58.86 3.02 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.028 0.831 . . . . 0.0 113.001 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -67.61 -22.85 65.33 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -173.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -124.28 39.46 3.96 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.319 1.848 . . . . 0.0 110.54 176.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -49.81 163.18 0.71 Allowed Glycine 0 CA--C 1.54 1.611 0 C-N-CA 123.648 0.642 . . . . 0.0 111.831 157.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt 61.88 -24.26 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 126.028 1.731 . . . . 0.0 115.373 -158.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -116.84 -3.74 11.64 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.581 1.152 . . . . 0.0 113.439 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' PHE . . . . . 0.41 ' O ' ' CG ' ' B' ' 122' ' ' PHE . 0.8 OUTLIER -68.57 39.72 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 127.911 2.484 . . . . 0.0 115.131 179.583 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.41 144.5 1.68 Allowed Pre-proline 0 N--CA 1.487 1.403 0 O-C-N 120.707 -1.245 . . . . 0.0 113.389 -166.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -46.32 -50.29 10.4 Favored 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 122.487 2.125 . . . . 0.0 115.507 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -64.39 -23.88 64.87 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.481 2.121 . . . . 0.0 115.595 172.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.43 -43.54 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 120.905 1.684 . . . . 0.0 112.369 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -69.66 -38.77 77.23 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 120.203 1.365 . . . . 0.0 112.335 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.13 95.59 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.544 1.065 . . . . 0.0 111.575 172.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.75 -48.64 80.48 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.738 0.815 . . . . 0.0 111.139 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.532 ' CZ ' HG23 ' B' ' 11' ' ' VAL . 33.6 m-85 -55.56 -49.9 71.48 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 118.57 -0.729 . . . . 0.0 112.051 168.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -54.76 -37.17 65.66 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.858 1.208 . . . . 0.0 113.2 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -67.92 -42.15 81.52 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.76 1.618 . . . . 0.0 112.658 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.49 -36.86 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.867 -1.145 . . . . 0.0 112.763 176.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.421 HG11 ' HA3' ' B' ' 107' ' ' GLY . 32.2 t -62.33 -49.5 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.933 1.693 . . . . 0.0 110.699 172.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.31 -50.25 74.72 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.919 0.888 . . . . 0.0 110.917 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.72 -52.5 50.27 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-N 118.779 0.718 . . . . 0.0 113.072 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -41.65 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 118.381 1.091 . . . . 0.0 110.485 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 138' ' ' ALA . . . . . 0.505 ' HB1' ' CD1' ' B' ' 103' ' ' PHE . . . -72.86 -36.72 67.46 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -178.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -60.56 -32.43 71.51 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.288 0.949 . . . . 0.0 110.899 168.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -71.18 -37.78 72.15 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 169.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 7.4 mt -64.67 -37.11 86.46 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.308 -1.495 . . . . 0.0 111.347 172.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.48 -8.71 35.68 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.733 1.213 . . . . 0.0 113.675 168.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -66.87 -26.44 66.89 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 119.545 -1.972 . . . . 0.0 113.907 -173.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -80.37 -17.85 50.73 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 121.177 -0.952 . . . . 0.0 113.102 168.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.16 -22.82 22.64 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.873 2.069 . . . . 0.0 112.995 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.372 0 C-N-CA 128.969 2.908 . . . . 0.0 117.008 -172.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.251 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.694 HD13 HG22 ' C' ' 73' ' ' VAL . 1.4 mp -125.57 -134.58 0.26 Allowed 'General case' 0 CA--C 1.56 1.333 0 CA-C-N 122.685 2.493 . . . . 0.0 110.198 -171.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 46.4 m 125.06 -30.12 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.921 0 C-N-CA 130.871 3.669 . . . . 0.0 117.073 174.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -57.74 -173.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 124.843 3.695 . . . . 0.0 116.719 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.3 -28.48 2.01 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.617 1.567 . . . . 0.0 114.637 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -57.46 -45.56 84.65 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.333 -0.855 . . . . 0.0 112.961 169.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.46 -49.62 64.27 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.358 1.435 . . . . 0.0 109.896 171.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 49.7 m -57.41 -43.5 83.8 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 118.858 0.754 . . . . 0.0 111.252 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -63.71 -37.68 88.25 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.563 0.745 . . . . 0.0 112.387 173.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.31 -47.17 93.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.617 1.099 . . . . 0.0 111.492 171.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -43.98 94.28 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 119.647 1.112 . . . . 0.0 110.843 -179.031 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.06 -56.59 20.11 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.892 0.877 . . . . 0.0 110.487 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ALA . . . . . 0.426 ' HB1' HD11 ' C' ' 113' ' ' LEU . . . -53.57 -52.52 59.49 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.361 1.064 . . . . 0.0 112.066 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -65.76 -27.07 68.03 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.01 -37.98 95.32 Favored Glycine 0 CA--C 1.534 1.273 0 O-C-N 121.181 -0.949 . . . . 0.0 112.879 168.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -67.53 -40.67 85.04 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 117.96 0.88 . . . . 0.0 111.212 169.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 97.0 t -60.1 -48.25 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.227 1.011 . . . . 0.0 112.392 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 35.7 -119.21 0.41 Allowed Glycine 0 CA--C 1.54 1.641 0 C-N-CA 125.064 1.316 . . . . 0.0 114.977 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.09 -25.31 66.16 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -68.32 -14.51 63.05 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.465 1.106 . . . . 0.0 113.14 178.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.533 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -42.16 -49.0 4.9 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.911 1.285 . . . . 0.0 114.014 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.13 -32.03 66.02 Favored Glycine 0 C--N 1.339 0.715 0 CA-C-O 118.785 -1.008 . . . . 0.0 113.69 -177.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -41.67 96.95 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.446 1.123 . . . . 0.0 109.952 172.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -67.24 -39.86 86.22 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 120.794 -1.191 . . . . 0.0 113.015 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.65 -48.26 85.52 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-N 118.717 0.689 . . . . 0.0 112.201 172.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.65 -51.65 67.9 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.244 1.018 . . . . 0.0 111.685 176.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.08 -25.21 66.12 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.83 0.852 . . . . 0.0 112.935 179.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.81 -43.42 58.85 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.405 1.002 . . . . 0.0 111.787 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 27.6 mt -58.71 -47.79 83.34 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.762 0.825 . . . . 0.0 111.061 174.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -59.65 -48.32 82.12 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 119.202 -0.427 . . . . 0.0 111.57 177.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.31 -47.23 69.43 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.912 0.885 . . . . 0.0 113.006 172.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 32' ' ' MET . . . . . 0.596 ' HG2' HG21 ' C' ' 39' ' ' THR . 39.6 ttp -59.03 -42.83 91.13 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.472 0.578 . . . . 0.0 112.029 176.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -59.29 -56.01 27.52 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.868 0.758 . . . . 0.0 111.794 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -73.05 -23.79 60.62 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 83.9 p -82.65 -29.5 29.97 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.829 1.195 . . . . 0.0 113.592 172.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' PHE . . . . . 0.494 ' O ' HG22 ' C' ' 39' ' ' THR . 14.7 m-85 -140.4 67.54 31.43 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 126.185 1.794 . . . . 0.0 110.87 -175.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -61.57 -22.29 74.09 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.933 2.422 . . . . 0.0 114.194 -171.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 7.7 p -55.58 -33.05 63.55 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.355 1.462 . . . . 0.0 113.397 168.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' THR . . . . . 0.596 HG21 ' HG2' ' C' ' 32' ' ' MET . 3.8 t -56.29 -30.65 62.79 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.445 1.098 . . . . 0.0 113.701 174.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -59.59 -31.1 69.14 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.213 1.405 . . . . 0.0 113.048 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 4.0 t -61.1 -24.3 66.14 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' TYR . . . . . 0.538 ' CE1' ' HA ' ' C' ' 93' ' ' VAL . 0.1 OUTLIER -66.35 -15.2 63.08 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 174.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -146.48 84.33 7.83 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 124.332 1.053 . . . . 0.0 111.84 175.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -73.98 44.36 0.97 Allowed 'Trans proline' 0 CA--C 1.554 1.499 1 C-N-CA 125.401 4.067 . . . . 0.0 114.268 -174.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -160.64 91.21 0.89 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.798 2.439 . . . . 0.0 108.349 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -176.71 116.2 0.11 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.985 1.314 . . . . 0.0 110.293 167.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -70.09 121.19 17.0 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.281 -0.887 . . . . 0.0 109.677 164.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 61.6 mt -106.72 25.81 10.78 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.6 1.16 . . . . 0.0 112.143 -175.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 75.1 p -57.05 153.39 11.53 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.61 1.164 . . . . 0.0 112.305 175.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -59.43 122.21 13.41 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.642 -0.661 . . . . 0.0 110.638 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.96 18.41 72.49 Favored Glycine 0 CA--C 1.541 1.702 0 CA-C-O 118.803 -0.999 . . . . 0.0 114.969 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -47.06 123.07 4.93 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.017 1.408 . . . . 0.0 113.623 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.6 -18.03 61.35 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.329 1.052 . . . . 0.0 113.624 175.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -89.61 -41.66 11.84 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.437 1.017 . . . . 0.0 111.708 173.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.01 -38.46 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 O-C-N 121.459 -0.776 . . . . 0.0 111.547 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -41.69 97.94 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 119.445 1.02 . . . . 0.0 113.507 171.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.44 -42.35 49.01 Favored Glycine 0 N--CA 1.474 1.21 0 C-N-CA 124.006 0.812 . . . . 0.0 112.357 -177.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -61.49 -44.26 97.4 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.891 -0.77 . . . . 0.0 110.783 168.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -49.82 -52.84 24.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 121.13 -0.981 . . . . 0.0 113.668 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -55.62 -35.6 66.06 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 118.802 1.301 . . . . 0.0 112.946 174.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -70.97 -49.71 42.45 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.568 1.147 . . . . 0.0 113.602 174.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 49.1 t -54.74 -40.95 53.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 O-C-N 120.909 -1.119 . . . . 0.0 110.653 171.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 63' ' ' ALA . . . . . 0.533 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -60.42 -50.15 74.73 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 173.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -34.67 75.17 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 120.217 1.371 . . . . 0.0 111.775 177.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.75 98.02 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 170.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.59 -43.2 97.65 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 118.02 -0.99 . . . . 0.0 111.213 171.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 27.7 m -56.33 -49.14 75.2 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 120.58 1.536 . . . . 0.0 111.91 170.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -29.69 70.15 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.578 1.535 . . . . 0.0 112.534 178.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.58 -50.48 51.4 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 118.954 0.797 . . . . 0.0 110.98 170.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 83.9 t -58.05 -43.23 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 120.005 1.275 . . . . 0.0 111.382 177.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.05 -24.64 68.0 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.883 1.273 . . . . 0.0 113.735 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -138.86 34.01 2.18 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 124.289 1.035 . . . . 0.0 111.227 -173.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.694 HG22 HD13 ' C' ' 2' ' ' LEU . 5.9 p -57.62 -20.42 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 O-C-N 120.628 -1.295 . . . . 0.0 113.644 -167.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -111.48 -0.73 16.13 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.54 1.536 . . . . 0.0 114.253 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.71 23.05 5.03 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 129.475 3.11 . . . . 0.0 110.18 -172.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -108.81 29.4 0.07 OUTLIER Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 125.842 1.657 . . . . 0.0 114.737 -178.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -64.62 -22.79 64.38 Favored 'Trans proline' 0 C--N 1.356 0.964 0 CA-C-N 123.613 2.326 . . . . 0.0 113.248 -174.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.91 6.41 2.42 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.354 1.462 . . . . 0.0 113.5 175.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.19 -27.29 66.27 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.186 -1.571 . . . . 0.0 113.17 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 28.5 mt -92.83 5.24 51.94 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.181 0.992 . . . . 0.0 112.002 173.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 41.0 m -60.73 -36.99 80.25 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.166 1.348 . . . . 0.0 113.792 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.32 70.28 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.956 1.253 . . . . 0.0 112.339 173.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.88 -44.49 48.6 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.779 0.831 . . . . 0.0 110.02 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 4.7 t -54.52 -44.01 72.39 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.309 0.504 . . . . 0.0 111.579 172.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -60.26 -42.22 94.87 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.606 -1.309 . . . . 0.0 112.565 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tp -59.19 -59.17 5.88 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.653 -1.279 . . . . 0.0 111.377 170.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -69.95 -28.41 65.54 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.201 -0.937 . . . . 0.0 113.264 -174.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.19 -14.1 18.64 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.628 1.571 . . . . 0.0 114.105 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -125.02 -48.92 1.73 Allowed 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.663 1.12 . . . . 0.0 113.59 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -67.87 -34.61 77.01 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 119.915 1.234 . . . . 0.0 112.26 174.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 20.9 mt -118.86 -26.15 6.12 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 92' ' ' ARG . . . . . 0.427 ' HE ' ' HA ' ' B' ' 40' ' ' ARG 0.324 1.4 mtt-85 41.93 53.42 4.15 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 127.792 2.437 . . . . 0.0 114.093 -170.753 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 93' ' ' VAL . . . . . 0.538 ' HA ' ' CE1' ' C' ' 42' ' ' TYR . 71.6 t -77.11 125.96 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 127.271 2.228 . . . . 0.0 112.269 177.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -51.54 125.57 28.06 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 125.399 1.48 . . . . 0.0 110.941 164.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -39.4 -24.07 0.1 Allowed 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 124.761 3.641 . . . . 0.0 116.796 168.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 7.6 p -46.0 -41.99 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 120.576 1.535 . . . . 0.0 113.158 171.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 97' ' ' ASN . . . . . 0.5 ' HB3' HMC1 ' C' ' 201' ' ' HEC . 8.1 m-20 -65.38 -33.87 76.98 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.237 -0.914 . . . . 0.0 112.511 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 98' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -56.0 -47.53 77.59 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 119.272 0.942 . . . . 0.0 109.083 171.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -55.94 -43.44 77.46 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.876 0.762 . . . . 0.0 110.336 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.02 -55.05 29.03 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.216 1.006 . . . . 0.0 110.975 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 23.2 tp -56.27 -43.24 78.58 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.454 0.702 . . . . 0.0 112.572 175.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 43.7 t -66.5 -44.5 82.43 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.393 1.477 . . . . 0.0 112.832 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -56.88 -46.99 81.49 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.597 -0.69 . . . . 0.0 111.293 169.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 74.7 m -65.6 -33.84 76.83 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.73 -51.1 69.74 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 119.682 1.128 . . . . 0.0 110.93 167.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 31.6 mt -52.66 -40.67 63.09 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.226 1.375 . . . . 0.0 112.167 175.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 34.3 t -60.85 -53.13 53.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 118.807 -0.616 . . . . 0.0 112.449 171.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 40.3 p -68.58 -42.19 78.63 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.707 1.14 . . . . 0.0 112.449 -175.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -55.25 -61.7 2.16 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 118.181 -0.914 . . . . 0.0 108.867 170.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -50.74 -38.86 50.09 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.88 1.218 . . . . 0.0 112.921 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.27 -23.17 57.4 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 117.553 2.427 . . . . 0.0 117.553 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -126.97 -41.43 1.8 Allowed 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.626 1.103 . . . . 0.0 113.1 -173.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 113' ' ' LEU . . . . . 0.426 HD11 ' HB1' ' C' ' 13' ' ' ALA . 3.7 tt -65.68 122.95 83.2 Favored Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 168.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -70.87 75.68 1.65 Allowed 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.178 2.585 . . . . 0.0 110.237 171.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.77 10.2 0.22 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.928 1.291 . . . . 0.0 112.657 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 42.69 25.64 0.05 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.657 2.383 . . . . 0.0 113.162 -164.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 21.1 p90 39.02 14.52 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.831 2.452 . . . . 0.0 116.517 -162.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.78 155.19 83.47 Favored Pre-proline 0 N--CA 1.471 0.594 0 CA-C-N 120.053 1.297 . . . . 0.0 111.963 -161.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 119' ' ' PRO . . . . . 0.47 ' HA ' HG21 ' D' ' 33' ' ' VAL . 63.5 Cg_endo -63.0 -45.77 12.01 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 121.26 1.307 . . . . 0.0 110.907 175.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.65 -24.85 67.13 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 120.916 -1.115 . . . . 0.0 113.465 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 47.8 t -87.04 -37.25 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 CA-C-N 119.922 1.237 . . . . 0.0 112.662 178.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -67.11 -35.55 80.01 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.045 -1.66 . . . . 0.0 111.451 169.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.86 -53.65 55.85 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.335 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 54.0 p -58.67 -46.99 85.98 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 113.35 0.871 . . . . 0.0 113.35 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.4 -44.19 95.41 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.519 -0.753 . . . . 0.0 111.812 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -64.98 -56.59 12.28 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 120.198 1.363 . . . . 0.0 111.878 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -33.32 70.34 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.057 0.39 . . . . 0.0 111.417 -177.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -66.93 -54.56 20.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 118.446 -0.787 . . . . 0.0 111.268 174.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -37.33 70.82 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.717 0.69 . . . . 0.0 111.114 177.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.25 -30.61 71.23 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 171.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 32.3 m -81.37 -36.97 28.97 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.386 -1.446 . . . . 0.0 112.448 171.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 47.4 t -52.45 -50.81 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 119.452 1.024 . . . . 0.0 108.732 169.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 84.0 p -63.78 -48.84 75.29 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 117.007 -1.473 . . . . 0.0 112.98 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 52.5 m -51.56 -38.07 52.57 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 121.072 1.76 . . . . 0.0 112.217 177.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 58.8 t -71.08 -48.9 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 O-C-N 121.052 -1.03 . . . . 0.0 111.22 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -3.16 2.04 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.012 1.325 . . . . 0.0 114.486 177.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 44.2 p -126.33 3.33 7.03 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.295 2.238 . . . . 0.0 111.343 176.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 22.9 t -56.64 147.61 22.08 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.157 1.383 . . . . 0.0 111.505 171.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -128.65 104.27 7.56 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.325 1.45 . . . . 0.0 108.989 -171.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -68.77 -34.24 75.23 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 176.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 . . . . . 0 C--O 1.249 1.074 0 C-N-CA 124.2 1.0 . . . . 0.0 111.403 173.09 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.29 2.2 p . . . . . 0 N--CA 1.516 2.85 0 CA-C-O 118.057 -0.973 . . . . 0.0 113.025 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 35.68 80.69 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 127.681 2.392 . . . . 0.0 116.103 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 159.03 16.0 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 121.227 -0.921 . . . . 0.0 112.053 177.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.47 141.86 93.73 Favored Pre-proline 0 N--CA 1.478 0.97 0 CA-C-O 117.919 -1.039 . . . . 0.0 109.633 168.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -47.69 -43.85 27.56 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 124.486 3.457 . . . . 0.0 116.35 -175.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.53 -39.99 94.78 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.348 -0.845 . . . . 0.0 112.461 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.76 -44.26 67.1 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 118.403 -0.808 . . . . 0.0 110.594 176.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -47.9 65.37 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.534 1.134 . . . . 0.0 111.469 169.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 14.8 t -55.51 -52.04 65.0 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.881 0.764 . . . . 0.0 110.828 173.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.16 -49.76 73.08 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 11' ' ' VAL . . . . . 0.523 HG23 ' CZ ' ' D' ' 130' ' ' TYR . 2.6 p -65.69 -55.41 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 119.547 1.067 . . . . 0.0 111.786 175.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -68.12 -36.14 79.25 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.938 0.79 . . . . 0.0 111.712 -169.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.58 94.12 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.978 0.808 . . . . 0.0 111.701 175.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.59 -39.35 88.37 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.639 -0.663 . . . . 0.0 110.51 173.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -21.95 57.68 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 166.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.14 -37.12 43.74 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.216 0.912 . . . . 0.0 113.047 174.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt -87.97 -21.68 24.72 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 118.021 0.91 . . . . 0.0 113.347 175.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.97 135.67 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 124.579 1.152 . . . . 0.0 111.826 -173.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.16 87.0 7.18 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 95.6 t -53.91 -35.05 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 CA-C-N 119.683 1.129 . . . . 0.0 113.778 -167.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -63.04 -50.8 69.24 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.196 0.998 . . . . 0.0 112.68 172.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -86.45 -45.97 10.64 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.256 -0.902 . . . . 0.0 111.314 -170.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -32.58 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 119.099 0.863 . . . . 0.0 110.852 169.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.88 -45.25 17.13 Favored Glycine 0 C--N 1.34 0.764 0 CA-C-N 119.102 0.865 . . . . 0.0 111.982 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.46 -41.86 99.17 Favored Glycine 0 N--CA 1.467 0.725 0 CA-C-N 118.587 1.194 . . . . 0.0 112.642 170.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.73 -49.65 75.85 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.406 169.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.68 -48.39 26.36 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 121.023 1.738 . . . . 0.0 114.833 -173.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 44.3 tp -63.06 -46.76 85.98 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 117.599 -1.191 . . . . 0.0 109.174 172.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -48.26 -55.52 10.38 Favored Glycine 0 C--N 1.336 0.569 0 CA-C-N 119.591 1.087 . . . . 0.0 111.612 171.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 30' ' ' ARG . . . . . 0.432 ' O ' HG23 ' D' ' 34' ' ' VAL . 0.0 OUTLIER -47.03 -43.56 19.75 Favored 'General case' 0 C--O 1.215 -0.715 0 C-N-CA 126.949 2.1 . . . . 0.0 111.37 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 tp -49.97 -49.79 49.1 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.628 1.558 . . . . 0.0 110.065 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 32' ' ' LEU . . . . . 0.584 HD22 ' H ' ' D' ' 32' ' ' LEU . 1.9 mm? -68.95 -32.37 71.93 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.123 0.969 . . . . 0.0 111.641 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 33' ' ' VAL . . . . . 0.47 HG21 ' HA ' ' C' ' 119' ' ' PRO . 0.9 OUTLIER -70.47 17.79 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.34 1.056 . . . . 0.0 113.19 164.56 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 34' ' ' VAL . . . . . 0.432 HG23 ' O ' ' D' ' 30' ' ' ARG . 2.4 t -111.49 17.48 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 O-C-N 119.243 -2.161 . . . . 0.0 111.168 166.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 2.8 t80 46.22 49.38 6.61 Favored Pre-proline 0 CA--C 1.554 1.132 0 O-C-N 120.876 -1.14 . . . . 0.0 112.22 -170.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -79.04 142.93 17.58 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 121.606 1.537 . . . . 0.0 109.302 -173.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -26.02 45.75 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.79 1.236 . . . . 0.0 113.039 172.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 23.1 p -57.06 -20.69 26.29 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 171.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -48.8 -26.81 2.58 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.25 1.02 . . . . 0.0 113.472 170.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 40' ' ' ARG . . . . . 0.424 ' HA ' ' HE ' ' A' ' 92' ' ' ARG . 5.5 ptm180 -51.18 -31.97 21.86 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 121.092 1.769 . . . . 0.0 115.304 170.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.47 10.57 31.83 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.955 0.902 . . . . 0.0 112.31 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -14.58 20.77 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 175.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -45.49 -31.57 1.82 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.613 1.165 . . . . 0.0 112.683 173.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -96.17 -31.12 13.13 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 170.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -61.42 -27.81 68.81 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 120.816 1.644 . . . . 0.0 113.182 173.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.19 179.13 7.5 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 123.98 0.8 . . . . 0.0 113.842 -177.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 33.34 -108.17 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.396 1.878 . . . . 0.0 111.796 -167.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 48' ' ' LEU . . . . . 0.529 HD12 ' HG ' ' D' ' 32' ' ' LEU . 8.9 tt 59.26 -18.92 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.611 2.365 . . . . 0.0 117.169 176.078 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 14.9 m -50.2 -21.64 1.41 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.456 1.902 . . . . 0.0 114.904 -175.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 4.7 p -132.64 158.03 76.79 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 125.691 1.596 . . . . 0.0 109.705 164.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.42 -46.5 31.11 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.803 2.335 . . . . 0.0 112.651 170.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -59.35 -41.56 89.48 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.215 -0.928 . . . . 0.0 112.232 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.51 80.13 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.077 0.551 . . . . 0.0 111.943 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.7 -36.7 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-N 119.995 1.27 . . . . 0.0 113.122 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -31.99 68.64 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.102 0.865 . . . . 0.0 112.725 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.63 -6.56 62.3 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.446 1.022 . . . . 0.0 115.477 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -65.67 120.91 72.43 Favored Pre-proline 0 CA--C 1.548 0.897 0 CA-C-N 119.147 1.474 . . . . 0.0 112.394 -175.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -60.63 -32.41 93.28 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.394 2.73 . . . . 0.0 113.634 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.51 -33.38 66.87 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.617 -1.302 . . . . 0.0 112.888 173.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.11 -36.13 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 119.95 1.25 . . . . 0.0 111.021 171.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -59.91 -52.12 66.8 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.127 0.876 . . . . 0.0 111.868 167.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.84 97.8 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.06 -37.33 78.46 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.41 -1.431 . . . . 0.0 110.973 172.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.43 -45.55 75.57 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 126.981 2.229 . . . . 0.0 113.894 171.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -57.09 -43.52 82.26 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.692 0.797 . . . . 0.0 112.353 169.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -53.59 34.34 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.769 0.827 . . . . 0.0 112.297 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 67' ' ' VAL . . . . . 0.421 HG23 ' C2B' ' D' ' 201' ' ' HEC . 7.6 p -55.19 -43.47 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 119.154 0.888 . . . . 0.0 111.75 174.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 68' ' ' LEU . . . . . 0.401 HD23 ' O ' ' D' ' 68' ' ' LEU . 5.1 tt -72.57 -36.51 68.21 Favored 'General case' 0 C--O 1.224 -0.241 0 O-C-N 120.852 -1.155 . . . . 0.0 113.107 177.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.58 -35.66 45.91 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 125.054 1.312 . . . . 0.0 112.454 170.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.37 -45.93 68.18 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 117.987 0.893 . . . . 0.0 112.451 169.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -58.5 -39.52 80.28 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.189 -1.569 . . . . 0.0 112.976 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 88.7 p -73.65 -39.85 64.18 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.637 -1.29 . . . . 0.0 113.299 175.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -54.53 -32.51 58.36 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.422 1.01 . . . . 0.0 111.361 164.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.92 -63.21 5.28 Favored Glycine 0 C--N 1.339 0.74 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 172.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mt -55.72 -21.44 18.69 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.55 -27.55 31.56 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.385 1.474 . . . . 0.0 114.505 171.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -147.53 52.09 1.06 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.044 1.737 . . . . 0.0 112.791 -171.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.43 -20.3 64.37 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 120.373 -1.454 . . . . 0.0 114.25 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -82.37 -9.09 59.59 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.196 1.798 . . . . 0.0 113.775 172.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -130.92 29.12 4.76 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.378 1.871 . . . . 0.0 112.134 -172.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 83.1 mt -58.23 -17.3 18.15 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.88 -0.06 29.58 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 120.385 1.448 . . . . 0.0 113.709 174.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.09 -33.34 4.33 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.276 1.417 . . . . 0.0 114.188 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.15 -16.73 21.32 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.132 0.973 . . . . 0.0 113.305 175.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -107.0 3.45 26.03 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.843 0.857 . . . . 0.0 113.162 -169.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.23 -34.53 72.3 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -175.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 4.1 p -65.88 -42.12 90.72 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 120.995 -1.066 . . . . 0.0 111.855 169.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 19.2 mt -69.71 -38.36 76.9 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 123.447 0.699 . . . . 0.0 111.947 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -67.19 -40.45 86.52 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 120.2 1.364 . . . . 0.0 111.647 176.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -61.32 -42.06 98.04 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.313 0.645 . . . . 0.0 112.083 172.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 31.1 tp -57.29 -60.12 4.1 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.056 -1.028 . . . . 0.0 111.797 170.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -74.38 18.74 0.14 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.103 1.361 . . . . 0.0 114.076 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 48.8 t -131.54 -87.63 0.47 Allowed 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.164 1.386 . . . . 0.0 108.904 164.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.65 -19.91 29.85 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.729 1.752 . . . . 0.0 115.729 -170.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.16 -42.17 6.81 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.901 0.88 . . . . 0.0 112.58 169.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.55 67.71 1.12 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.3 1.84 . . . . 0.0 111.973 -173.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.8 32.99 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 128.455 2.702 . . . . 0.0 114.802 162.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 2.0 m -47.22 146.01 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 120.506 -1.371 . . . . 0.0 111.267 167.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.19 138.95 65.86 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 123.807 0.843 . . . . 0.0 111.596 -174.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -50.84 -34.23 44.3 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.127 2.551 . . . . 0.0 115.395 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -50.79 -36.06 35.09 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.811 -1.181 . . . . 0.0 112.724 173.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -65.76 -35.88 81.97 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 118.288 -0.863 . . . . 0.0 113.237 177.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 103' ' ' PHE . . . . . 0.508 ' CD1' ' HB1' ' D' ' 138' ' ' ALA . 0.1 OUTLIER -56.66 -48.2 78.12 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.544 1.065 . . . . 0.0 109.096 168.839 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 104' ' ' ARG . . . . . 0.416 ' N ' ' CD1' ' D' ' 103' ' ' PHE . 20.0 ttm-85 -66.3 -44.92 82.12 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-O 118.597 -0.716 . . . . 0.0 109.344 -171.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 7.0 mp -53.74 -44.57 70.04 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.983 0.913 . . . . 0.0 112.188 173.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.34 -48.01 79.78 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.933 1.242 . . . . 0.0 111.149 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 107' ' ' GLY . . . . . 0.436 ' HA3' HG11 ' D' ' 134' ' ' VAL . . . -55.05 -53.32 41.0 Favored Glycine 0 CA--C 1.536 1.372 0 O-C-N 121.551 -0.718 . . . . 0.0 114.326 173.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -56.12 -36.79 68.62 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.39 1.876 . . . . 0.0 112.403 174.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.3 -42.18 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 O-C-N 120.709 -1.244 . . . . 0.0 111.917 176.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 47.7 tp -56.43 -50.12 72.59 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.28 0.632 . . . . 0.0 109.891 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 26.4 m -57.54 -33.27 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 176.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 97.2 m -67.28 -39.16 86.01 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.26 0.937 . . . . 0.0 112.249 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -68.84 -43.77 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 O-C-N 120.801 -1.187 . . . . 0.0 112.004 178.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -41.61 97.73 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.86 1.209 . . . . 0.0 109.734 175.223 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.14 -37.13 66.55 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 118.782 -0.628 . . . . 0.0 112.53 173.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -73.0 -58.84 3.03 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.997 0.817 . . . . 0.0 112.937 174.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -67.49 -22.97 65.43 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -173.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -124.24 39.48 3.96 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.336 1.854 . . . . 0.0 110.546 176.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -49.87 163.2 0.72 Allowed Glycine 0 CA--C 1.541 1.664 0 C-N-CA 123.593 0.616 . . . . 0.0 111.844 157.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt 61.72 -24.02 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 126.143 1.777 . . . . 0.0 115.342 -158.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -117.16 -3.56 11.5 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.521 1.128 . . . . 0.0 113.419 -175.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -68.53 39.5 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 127.958 2.503 . . . . 0.0 115.054 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.51 144.51 1.72 Allowed Pre-proline 0 N--CA 1.486 1.346 0 O-C-N 120.682 -1.262 . . . . 0.0 113.324 -166.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -46.09 -50.5 9.84 Favored 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 122.453 2.102 . . . . 0.0 115.633 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -63.94 -24.23 67.58 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.48 2.12 . . . . 0.0 115.595 172.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -43.58 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-N 120.934 1.697 . . . . 0.0 112.364 179.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -69.58 -38.83 77.53 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 120.207 1.367 . . . . 0.0 112.413 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.91 96.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.412 1.006 . . . . 0.0 111.611 172.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.57 -48.9 79.38 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.89 0.876 . . . . 0.0 111.098 176.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 130' ' ' TYR . . . . . 0.523 ' CZ ' HG23 ' D' ' 11' ' ' VAL . 33.5 m-85 -55.58 -49.99 71.29 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 118.625 -0.702 . . . . 0.0 112.027 168.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -54.58 -37.31 65.36 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.883 1.219 . . . . 0.0 113.294 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -67.9 -42.15 81.59 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.75 1.614 . . . . 0.0 112.63 176.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 35.7 m -72.54 -36.88 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 CA-C-N 119.652 1.114 . . . . 0.0 112.788 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 134' ' ' VAL . . . . . 0.436 HG11 ' HA3' ' D' ' 107' ' ' GLY . 32.2 t -62.28 -49.52 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 125.979 1.712 . . . . 0.0 110.706 172.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.29 -50.15 75.1 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.98 0.912 . . . . 0.0 110.885 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.88 -52.41 51.18 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-N 118.706 0.684 . . . . 0.0 113.045 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.44 -41.77 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 118.389 1.094 . . . . 0.0 110.532 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 138' ' ' ALA . . . . . 0.508 ' HB1' ' CD1' ' D' ' 103' ' ' PHE . . . -72.75 -36.74 67.77 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -60.43 -32.62 71.53 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 119.394 0.997 . . . . 0.0 110.903 168.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.91 -37.99 72.96 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 169.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 7.4 mt -64.65 -37.21 86.8 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.271 -1.518 . . . . 0.0 111.274 173.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.55 -8.63 35.65 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.584 1.154 . . . . 0.0 113.656 168.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -66.75 -26.62 67.07 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 119.519 -1.988 . . . . 0.0 113.884 -173.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -80.29 -17.75 51.24 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 121.143 -0.973 . . . . 0.0 113.255 168.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.15 -22.86 22.63 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.93 2.092 . . . . 0.0 113.066 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.256 1.421 0 C-N-CA 128.942 2.897 . . . . 0.0 117.1 -172.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.491 HMC1 ' HB3' ' A' ' 97' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 201' ' ' HEC . . . . . 0.667 ' HHD' HBC3 ' B' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 201' ' ' HEC . . . . . 0.5 HMC1 ' HB3' ' C' ' 97' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 201' ' ' HEC . . . . . 0.662 ' HHD' HBC3 ' D' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.269 5.8 p . . . . . 0 N--CA 1.508 2.453 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 58.0 mt -136.35 -172.42 3.14 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 120.556 1.525 . . . . 0.0 112.698 -174.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.46 158.75 60.52 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 126.908 2.083 . . . . 0.0 112.511 -173.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.05 -30.1 9.28 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.018 2.479 . . . . 0.0 113.55 -173.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.2 -33.13 56.37 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.641 -0.662 . . . . 0.0 112.573 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.66 -41.21 79.62 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.409 -0.807 . . . . 0.0 112.818 -173.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -58.2 -45.38 87.68 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-O 118.184 -0.912 . . . . 0.0 111.676 171.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.0 m -57.45 -45.83 84.29 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 120.046 1.294 . . . . 0.0 111.912 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -66.61 -39.7 88.48 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -73.65 -37.97 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-O 118.297 -0.859 . . . . 0.0 111.728 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 mptm? -55.87 -48.38 75.67 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.151 1.341 . . . . 0.0 110.879 169.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.13 -52.47 65.18 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.373 0.669 . . . . 0.0 111.454 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.0 -48.91 77.34 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -63.99 -30.34 71.43 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.15 -43.71 95.11 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.664 1.126 . . . . 0.0 113.317 171.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -66.17 -37.06 84.72 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 118.215 1.008 . . . . 0.0 111.764 172.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.1 -49.78 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 124.885 1.274 . . . . 0.0 112.821 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.71 -145.51 6.51 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 123.919 0.771 . . . . 0.0 114.535 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.38 -22.91 55.47 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -67.09 -7.98 27.19 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 174.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -45.33 -43.09 10.55 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.719 1.208 . . . . 0.0 114.003 174.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.09 -37.26 92.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 121.977 -0.452 . . . . 0.0 113.478 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -44.53 82.67 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.295 1.038 . . . . 0.0 111.113 174.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.48 -39.88 95.61 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.166 0.587 . . . . 0.0 112.029 175.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.05 -59.65 10.47 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.208 0.909 . . . . 0.0 111.658 170.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.25 -53.43 43.9 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.572 1.149 . . . . 0.0 112.942 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -61.3 -35.59 77.76 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.417 0.687 . . . . 0.0 112.193 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.434 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -60.74 -40.39 92.23 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 118.887 0.767 . . . . 0.0 111.955 175.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mt -65.83 -45.71 81.26 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 118.392 0.542 . . . . 0.0 111.127 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -57.06 -42.62 80.92 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.921 0.888 . . . . 0.0 110.023 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -44.64 93.44 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-O 117.013 -1.47 . . . . 0.0 111.536 174.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.6 mtm -57.04 -51.25 70.01 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 119.787 1.176 . . . . 0.0 112.173 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.51 -48.8 71.47 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.443 0.697 . . . . 0.0 110.371 -178.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.9 mt -71.34 -40.16 70.87 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.034 0.534 . . . . 0.0 111.789 -177.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.2 p -82.59 -30.7 29.39 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -172.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -142.86 66.85 17.65 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 125.312 1.445 . . . . 0.0 109.508 -167.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -48.11 -26.87 8.38 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 124.879 3.719 . . . . 0.0 116.057 -169.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -37.48 -44.53 0.66 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 127.307 2.243 . . . . 0.0 113.22 166.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 t -58.08 -34.55 70.27 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -58.82 -22.26 58.26 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.185 1.394 . . . . 0.0 113.329 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -51.84 -28.78 16.95 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 173.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -57.98 -19.13 28.35 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 56.68 64.59 4.57 Favored Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 125.598 1.559 . . . . 0.0 112.387 -176.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -53.94 157.54 10.39 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.87 2.38 . . . . 0.0 113.585 173.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -79.67 1.42 26.44 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.04 177.59 5.99 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.439 1.496 . . . . 0.0 113.959 -168.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -118.82 154.05 33.49 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.602 1.961 . . . . 0.0 111.333 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.8 mt -116.23 23.32 12.23 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.474 1.11 . . . . 0.0 112.751 -161.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.7 m -65.34 21.3 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 128.839 2.855 . . . . 0.0 117.626 -166.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 m80 58.23 144.08 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 127.875 2.47 . . . . 0.0 113.991 -161.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.28 22.37 60.86 Favored Glycine 0 CA--C 1.542 1.725 0 O-C-N 121.345 -0.847 . . . . 0.0 115.182 -176.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.3 t -65.4 115.08 5.29 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.994 1.318 . . . . 0.0 113.493 -170.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.13 75.99 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.664 1.186 . . . . 0.0 113.5 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -62.64 -40.87 98.38 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.661 -0.649 . . . . 0.0 111.935 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.6 t -66.16 -35.04 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.308 0.643 . . . . 0.0 111.083 177.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -62.9 -51.58 66.41 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 119.594 1.088 . . . . 0.0 111.714 171.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.33 -42.65 99.83 Favored Glycine 0 N--CA 1.472 1.084 0 C-N-CA 123.798 0.714 . . . . 0.0 112.903 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -63.64 -45.37 90.55 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.628 -0.924 . . . . 0.0 111.858 171.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.82 -45.92 69.0 Favored Glycine 0 CA--C 1.533 1.169 0 O-C-N 121.186 -0.946 . . . . 0.0 113.349 173.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -56.37 -43.98 79.71 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.586 1.154 . . . . 0.0 111.748 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -63.38 -47.45 82.0 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.049 0.939 . . . . 0.0 112.913 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.5 t -54.9 -44.84 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 118.969 0.804 . . . . 0.0 110.794 172.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.441 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -63.24 -47.06 84.06 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 177.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -59.71 -39.01 83.21 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.638 1.108 . . . . 0.0 112.156 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.8 -44.09 97.55 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 171.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.82 -39.58 89.53 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.334 -0.854 . . . . 0.0 111.793 172.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 85.3 m -59.54 -46.52 88.65 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 120.858 -1.151 . . . . 0.0 111.646 170.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -27.75 67.96 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.532 1.06 . . . . 0.0 112.353 177.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.63 -49.76 65.21 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 119.473 1.033 . . . . 0.0 110.721 166.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 76.4 t -55.36 -37.32 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 119.863 1.21 . . . . 0.0 111.915 176.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.61 -25.56 68.02 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 175.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -145.55 23.25 1.45 Allowed 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -163.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.464 HG21 ' CE2' ' A' ' 128' ' ' PHE . 3.1 p -60.61 -24.76 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 CA-C-N 122.234 2.288 . . . . 0.0 115.869 -157.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.4 -6.79 57.47 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.577 -1.327 . . . . 0.0 113.98 174.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -129.51 1.06 5.02 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 128.755 2.822 . . . . 0.0 112.811 -172.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -69.94 -9.93 0.17 Allowed Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 118.224 2.676 . . . . 0.0 118.224 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.58 ' HA ' HG13 ' A' ' 135' ' ' VAL . 6.8 Cg_exo -38.71 -42.28 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 123.842 3.028 . . . . 0.0 116.869 176.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -101.26 -7.92 22.61 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 175.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.6 -22.84 56.55 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.424 -1.422 . . . . 0.0 112.951 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.6 mt -92.41 10.57 29.43 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.009 0.822 . . . . 0.0 113.039 170.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.3 m -56.94 -32.83 66.4 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 120.362 1.437 . . . . 0.0 114.237 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.75 -29.98 70.48 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 119.766 1.166 . . . . 0.0 112.894 171.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mt -82.72 -36.76 25.54 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.421 1.089 . . . . 0.0 111.203 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.2 t -59.7 -41.94 91.9 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 122.222 -0.298 . . . . 0.0 111.402 167.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.53 -47.81 84.53 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.564 1.146 . . . . 0.0 112.115 173.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tp -47.57 -52.53 17.34 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.3 0.955 . . . . 0.0 111.783 166.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -34.93 76.04 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.456 -0.778 . . . . 0.0 113.012 -174.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.61 -26.44 17.86 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -175.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -104.33 -10.59 17.69 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.155 1.382 . . . . 0.0 113.283 -174.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -124.01 -57.2 1.62 Allowed 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 116.843 -1.551 . . . . 0.0 115.067 -174.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 mp -136.46 -77.48 0.42 Allowed 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 116.383 -1.77 . . . . 0.0 114.28 175.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 147.39 68.91 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.466 0 C-N-CA 131.039 3.736 . . . . 0.0 113.199 175.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 73.2 t -38.04 110.95 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 C-N-CA 126.515 1.926 . . . . 0.0 112.784 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -67.01 123.61 86.67 Favored Pre-proline 0 CA--C 1.54 0.56 0 C-N-CA 122.849 0.46 . . . . 0.0 112.233 -172.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.94 -38.83 44.57 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.327 2.018 . . . . 0.0 112.193 -177.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 52.5 t -64.93 -31.64 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 119.871 -1.768 . . . . 0.0 111.768 176.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -65.25 -30.18 71.03 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.202 0.91 . . . . 0.0 112.209 173.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -47.01 82.02 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.434 1.016 . . . . 0.0 111.71 172.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -57.11 -37.06 71.42 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 118.919 0.781 . . . . 0.0 111.737 -177.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 100' ' ' LEU . 5.1 mt -61.2 -59.37 5.42 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.798 0.839 . . . . 0.0 109.245 173.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.435 HD21 HBB3 ' A' ' 201' ' ' HEC . 0.1 OUTLIER -56.9 -38.07 72.31 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.789 0.836 . . . . 0.0 112.345 -179.573 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.6 t -57.2 -56.75 17.81 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.614 1.166 . . . . 0.0 112.515 171.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -30.53 71.57 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.097 -1.002 . . . . 0.0 111.379 178.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 79.7 m -69.54 -33.0 72.14 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 172.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 mt -69.75 -47.93 61.2 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 119.897 1.226 . . . . 0.0 110.841 169.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.5 mt -50.55 -40.99 53.44 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.572 -0.705 . . . . 0.0 111.611 171.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.0 t -57.35 -53.23 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 169.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.6 p -68.99 -30.86 69.36 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.454 1.024 . . . . 0.0 112.731 -177.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.6 -49.35 54.88 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.021 0.828 . . . . 0.0 110.5 173.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.47 -33.67 60.12 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 172.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.1 -9.3 45.25 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -131.3 -31.82 1.61 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -176.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.3 mp -83.34 173.01 8.1 Favored Pre-proline 0 CA--C 1.559 1.322 0 C-N-CA 124.379 1.072 . . . . 0.0 110.9 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -58.64 -138.9 0.0 OUTLIER 'Trans proline' 0 CA--C 1.552 1.391 1 C-N-CA 125.918 4.412 . . . . 0.0 114.857 167.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.88 39.51 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.695 1.998 . . . . 0.0 115.218 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -38.46 -28.95 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 130.46 3.504 . . . . 0.0 115.633 -176.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -71.97 8.39 1.25 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.925 2.09 . . . . 0.0 116.439 171.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.25 159.4 1.55 Allowed Pre-proline 0 N--CA 1.491 1.599 0 CA-C-N 121.361 1.891 . . . . 0.0 113.242 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -56.0 -44.68 44.8 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.103 1.868 . . . . 0.0 112.84 171.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.16 -59.75 3.76 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 119.31 -0.376 . . . . 0.0 110.288 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 24.5 t -68.05 -43.93 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 120.249 -1.532 . . . . 0.0 113.22 -171.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -69.73 -48.45 59.42 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 120.065 1.302 . . . . 0.0 112.358 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.06 84.88 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.853 1.206 . . . . 0.0 110.612 175.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.9 m -62.44 -51.76 66.24 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.49 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.85 -41.94 95.29 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 120.473 1.488 . . . . 0.0 112.809 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -58.32 -50.58 73.11 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 120.086 1.312 . . . . 0.0 111.848 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.35 -28.93 59.78 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.464 ' CE2' HG21 ' A' ' 73' ' ' VAL . 5.8 t80 -70.22 -46.12 65.14 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.565 1.075 . . . . 0.0 110.928 172.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.95 -37.19 81.5 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 120.243 -1.535 . . . . 0.0 110.523 172.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.18 -44.59 96.27 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 170.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 96.1 p -67.23 -40.39 86.34 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 120.598 1.545 . . . . 0.0 111.853 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 44.9 t -52.85 -49.19 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.613 1.165 . . . . 0.0 109.678 170.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.6 t -57.82 -54.58 45.26 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 172.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 96.8 m -51.53 -34.12 34.97 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.469 1.031 . . . . 0.0 112.303 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.58 HG13 ' HA ' ' A' ' 77' ' ' PRO . 58.9 t -79.45 -42.44 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 172.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.81 -32.65 65.93 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.182 -1.574 . . . . 0.0 112.744 173.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 44.4 p -97.48 -1.48 44.04 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.67 1.988 . . . . 0.0 112.787 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 14.7 t -160.81 126.88 3.95 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 120.552 1.524 . . . . 0.0 113.756 177.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -56.18 -29.01 60.26 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.868 1.432 . . . . 0.0 114.868 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -161.28 -61.3 0.05 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.917 0.887 . . . . 0.0 112.739 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 . . . . . 0 C--O 1.254 1.333 0 C-N-CA 125.74 1.616 . . . . 0.0 113.752 -177.857 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.312 2.4 p . . . . . 0 N--CA 1.514 2.744 0 CA-C-O 117.643 -1.17 . . . . 0.0 112.877 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 27.5 80.28 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 128.012 2.525 . . . . 0.0 116.475 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 mt -57.67 163.45 2.51 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.061 1.345 . . . . 0.0 111.962 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.36 156.4 81.32 Favored Pre-proline 0 N--CA 1.485 1.322 0 CA-C-O 118.489 -0.767 . . . . 0.0 109.577 161.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -56.93 -45.79 33.76 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.659 2.239 . . . . 0.0 114.767 175.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.71 -35.21 76.88 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.223 -0.923 . . . . 0.0 111.954 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.493 ' HG2' ' HB2' ' B' ' 129' ' ' ALA . 8.0 tt0 -69.47 -40.62 76.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.09 0.956 . . . . 0.0 110.865 176.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -60.62 -45.1 95.29 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.046 1.339 . . . . 0.0 111.492 171.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.1 t -54.66 -48.09 72.76 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.933 0.493 . . . . 0.0 110.659 175.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.22 -53.27 60.23 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 175.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.425 HG23 ' CE2' ' B' ' 130' ' ' TYR . 6.6 p -65.21 -43.1 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 CA-C-N 119.787 1.176 . . . . 0.0 111.903 -176.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -76.85 -31.15 56.65 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.713 -0.617 . . . . 0.0 111.706 -175.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.49 -40.68 76.9 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.331 1.423 . . . . 0.0 112.504 170.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.06 -29.31 68.24 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.272 -0.892 . . . . 0.0 111.41 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -65.1 -45.02 86.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.29 0.636 . . . . 0.0 112.079 164.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.67 -35.77 58.02 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.183 1.373 . . . . 0.0 115.075 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -90.01 -10.45 44.89 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 174.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.74 135.61 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.032 0.933 . . . . 0.0 112.005 -169.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -83.02 80.67 8.97 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 46.6 t -49.95 -40.32 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 124.447 1.099 . . . . 0.0 113.727 -168.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -70.37 -35.88 73.81 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.89 0.876 . . . . 0.0 113.125 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -89.81 -49.82 6.4 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.312 -0.867 . . . . 0.0 111.346 -175.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.431 HG22 HG13 ' B' ' 113' ' ' VAL . 0.5 OUTLIER -59.52 -35.02 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 123.485 0.714 . . . . 0.0 111.002 169.2 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.43 -46.75 67.53 Favored Glycine 0 C--N 1.339 0.747 0 O-C-N 120.79 -1.194 . . . . 0.0 111.765 176.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.74 -44.18 95.96 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-N 117.51 0.655 . . . . 0.0 112.684 172.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -65.6 -34.92 79.37 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 124.003 0.921 . . . . 0.0 112.692 173.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.61 ' HB2' HG11 ' B' ' 113' ' ' VAL . . . -65.33 -54.74 24.48 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 120.718 1.599 . . . . 0.0 109.822 176.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 tp -68.62 -40.96 80.15 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.153 -174.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.403 ' O ' HG13 ' B' ' 33' ' ' VAL . . . -49.42 -58.12 8.49 Favored Glycine 0 CA--C 1.528 0.844 0 CA-C-O 119.052 -0.86 . . . . 0.0 112.515 163.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 37.7 ttt-85 -49.93 -31.86 13.43 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 125.441 1.496 . . . . 0.0 114.15 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tt -79.59 -51.12 9.69 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.177 1.353 . . . . 0.0 112.137 171.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.426 ' HB3' HD11 ' B' ' 48' ' ' LEU . 6.3 mp -73.68 -14.38 61.14 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.373 -0.829 . . . . 0.0 111.881 -171.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.403 HG13 ' O ' ' B' ' 29' ' ' GLY . 34.5 m -85.88 -12.31 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -65.31 11.58 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 CA-C-N 122.07 2.214 . . . . 0.0 113.296 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' TYR . . . . . 0.402 ' H ' ' C ' ' B' ' 33' ' ' VAL . 1.5 t80 36.54 41.24 0.23 Allowed Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 128.54 2.736 . . . . 0.0 114.413 -157.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -76.5 165.1 29.64 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 121.577 1.518 . . . . 0.0 110.061 -174.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 31.5 p90 -51.69 -30.45 22.13 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.266 -0.896 . . . . 0.0 112.261 166.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.63 -31.34 24.92 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.059 1.344 . . . . 0.0 114.081 172.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -59.59 -19.37 48.32 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.777 1.171 . . . . 0.0 113.21 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -62.87 -16.86 60.41 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 120.312 -1.492 . . . . 0.0 113.956 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.33 -1.21 57.9 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 172.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 0.505 ' HB2' HD13 ' B' ' 48' ' ' LEU . 1.6 p90 -62.79 -10.05 11.6 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 117.168 2.284 . . . . 0.0 117.168 -163.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -51.59 -26.35 8.61 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 176.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.414 ' O ' ' HE3' ' B' ' 59' ' ' LYS . 34.2 p -86.86 8.57 22.36 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.249 1.42 . . . . 0.0 114.622 174.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -115.33 -14.88 11.63 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.676 1.19 . . . . 0.0 113.822 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.29 -146.25 24.85 Favored Glycine 0 CA--C 1.536 1.368 0 CA-C-N 120.917 1.689 . . . . 0.0 112.904 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.62 117.93 3.76 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.647 0.779 . . . . 0.0 112.004 176.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.505 HD13 ' HB2' ' B' ' 42' ' ' PHE . 8.7 tt -153.83 -23.51 0.14 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -174.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 4.0 m -58.2 -8.1 1.01 Allowed 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -169.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 34.1 p -142.55 163.6 37.94 Favored Pre-proline 0 N--CA 1.474 0.732 0 C-N-CA 127.573 2.349 . . . . 0.0 109.578 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -57.26 -49.25 14.48 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.074 1.849 . . . . 0.0 112.6 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.37 -38.54 84.23 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.912 0.885 . . . . 0.0 111.867 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.78 -60.62 3.54 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 122.867 0.467 . . . . 0.0 111.257 173.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 p -66.14 -39.02 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -171.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 44.0 mtt -77.72 -21.91 51.2 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -173.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.86 -19.6 19.17 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 124.357 0.979 . . . . 0.0 114.639 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -68.14 125.69 91.81 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 124.642 1.177 . . . . 0.0 113.811 -172.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -63.65 -39.07 36.98 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.136 2.558 . . . . 0.0 113.532 -171.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.414 ' HE3' ' O ' ' B' ' 44' ' ' SER . 44.1 tttp -63.96 -34.93 79.08 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.653 1.115 . . . . 0.0 113.102 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 63.3 t -65.18 -46.17 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.946 0.899 . . . . 0.0 110.7 169.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -64.49 -40.05 94.94 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.169 0.895 . . . . 0.0 112.252 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.88 -33.71 72.59 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.569 1.548 . . . . 0.0 114.044 175.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.2 -38.67 82.22 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.404 -1.435 . . . . 0.0 111.022 164.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.18 -51.06 32.1 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 125.165 1.364 . . . . 0.0 113.445 168.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -52.92 -40.55 63.66 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.329 1.452 . . . . 0.0 113.204 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -52.09 11.23 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.756 0.822 . . . . 0.0 112.473 -178.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 16.5 m -56.7 -40.78 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 CA-C-N 119.545 1.066 . . . . 0.0 111.433 174.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tt -84.51 -35.1 23.15 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.032 -1.043 . . . . 0.0 112.905 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.09 -40.19 82.33 Favored Glycine 0 CA--C 1.535 1.31 0 O-C-N 121.235 -0.916 . . . . 0.0 112.002 165.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.89 -46.54 74.59 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.837 -0.802 . . . . 0.0 112.859 170.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -54.27 -33.62 59.03 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 121.147 1.794 . . . . 0.0 112.528 170.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -41.19 74.95 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 170.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -55.01 -33.3 62.5 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.799 1.181 . . . . 0.0 111.697 169.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.14 -63.72 4.92 Favored Glycine 0 C--N 1.339 0.729 0 CA-C-O 119.275 -0.736 . . . . 0.0 111.38 166.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.5 mt -53.14 -22.08 5.85 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.2 -25.5 25.61 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.726 1.61 . . . . 0.0 114.886 174.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -144.34 43.96 1.41 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.631 1.572 . . . . 0.0 112.824 -170.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.54 -18.76 32.04 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.43 -38.37 71.5 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.241 1.416 . . . . 0.0 114.084 176.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -158.04 90.65 1.07 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.967 0.907 . . . . 0.0 112.706 177.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.8 mt -65.55 -27.07 68.17 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -67.36 4.28 1.03 Allowed 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 -174.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -122.01 -42.02 0.46 Allowed Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.736 1.636 . . . . 0.0 112.999 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 5.7 p -71.11 -24.84 62.37 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.382 1.091 . . . . 0.0 113.562 173.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -106.37 -3.52 20.99 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.45 -41.28 65.95 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 120.212 1.369 . . . . 0.0 114.51 -171.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 14.9 p -64.94 -34.59 78.77 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.371 1.068 . . . . 0.0 112.695 173.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 43.4 mt -74.49 -37.38 63.18 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.534 1.134 . . . . 0.0 111.286 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -60.98 -44.61 97.13 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.457 1.026 . . . . 0.0 111.017 169.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -60.17 -38.86 84.46 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.666 0.786 . . . . 0.0 112.01 171.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.1 tp -69.4 -57.54 5.15 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.211 -0.93 . . . . 0.0 111.809 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -73.52 -12.54 60.81 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -176.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 79.4 m -109.72 -90.51 0.47 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.126 0.971 . . . . 0.0 110.5 167.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -51.7 -34.59 39.36 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -166.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -86.92 -53.31 4.97 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.306 1.042 . . . . 0.0 113.627 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 51.6 mt -105.48 -33.24 8.19 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.061 1.344 . . . . 0.0 113.176 -170.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 42.04 30.84 0.2 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 128.039 2.536 . . . . 0.0 115.516 -174.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -57.8 145.99 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 121.284 -0.885 . . . . 0.0 110.687 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -58.66 130.66 85.43 Favored Pre-proline 0 CA--C 1.547 0.855 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -160.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -62.85 -37.46 54.91 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 122.53 2.153 . . . . 0.0 114.367 -164.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.81 -28.04 5.82 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 120.404 -1.435 . . . . 0.0 114.364 171.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.84 -34.86 76.72 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.18 -0.95 . . . . 0.0 112.114 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' PHE . . . . . 0.574 ' CE1' ' HB1' ' B' ' 138' ' ' ALA . 1.4 p90 -64.45 -40.91 96.62 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.776 1.625 . . . . 0.0 111.053 175.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -63.41 -47.14 83.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.035 0.534 . . . . 0.0 109.698 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 96.8 mt -56.08 -49.16 74.58 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.92 174.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.66 -43.32 97.77 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.608 1.095 . . . . 0.0 110.859 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.99 -56.03 27.38 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.262 0.934 . . . . 0.0 113.91 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.91 -40.36 88.58 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.212 1.006 . . . . 0.0 111.086 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 14.3 t -59.91 -42.47 89.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 118.421 -0.8 . . . . 0.0 112.443 175.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.402 ' O ' HG12 ' B' ' 113' ' ' VAL . 6.9 tp -57.0 -52.98 63.11 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 118.722 0.692 . . . . 0.0 110.809 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.413 HG12 ' HB3' ' B' ' 130' ' ' TYR . 0.9 OUTLIER -54.93 -39.55 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 118.473 0.578 . . . . 0.0 109.809 -177.605 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 11.0 t -73.18 -33.12 65.25 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' VAL . . . . . 0.61 HG11 ' HB2' ' B' ' 27' ' ' ALA . 1.9 p -61.94 -37.26 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 121.291 1.86 . . . . 0.0 111.747 171.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 mt -63.89 -35.93 82.25 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.812 -0.555 . . . . 0.0 110.073 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.33 -34.02 74.02 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 170.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -59.01 -60.33 4.05 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 120.641 1.564 . . . . 0.0 110.268 168.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -71.22 -26.27 62.86 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -167.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -130.34 40.47 3.52 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.609 1.164 . . . . 0.0 112.381 -176.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -55.55 -5.34 0.79 Allowed Glycine 0 CA--C 1.541 1.69 0 C-N-CA 126.505 2.002 . . . . 0.0 117.328 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -84.96 -21.71 29.46 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.833 1.317 . . . . 0.0 113.264 170.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -135.64 6.01 3.19 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.777 1.631 . . . . 0.0 113.17 -170.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -61.64 30.03 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 128.907 2.883 . . . . 0.0 116.98 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 16.3 p -42.41 148.15 0.54 Allowed Pre-proline 0 N--CA 1.481 1.121 0 C-N-CA 125.74 1.616 . . . . 0.0 115.211 -167.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -43.93 -46.75 10.64 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 122.591 2.194 . . . . 0.0 114.633 172.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.6 -32.58 18.96 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.724 1.616 . . . . 0.0 114.773 173.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.53 -39.56 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-N 122.25 2.296 . . . . 0.0 112.061 177.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -63.32 -41.58 98.92 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.286 0.634 . . . . 0.0 110.808 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.75 -41.1 96.16 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 173.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' ALA . . . . . 0.493 ' HB2' ' HG2' ' B' ' 7' ' ' GLU . . . -59.18 -47.76 84.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 119.233 0.924 . . . . 0.0 111.962 172.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.425 ' CE2' HG23 ' B' ' 11' ' ' VAL . 10.8 m-85 -52.08 -50.33 61.78 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 118.865 -0.588 . . . . 0.0 111.026 167.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -57.14 -38.18 73.11 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.543 1.065 . . . . 0.0 113.357 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -72.31 -44.02 63.32 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.617 1.553 . . . . 0.0 112.268 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 23.0 m -63.1 -38.57 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 119.921 1.237 . . . . 0.0 110.992 172.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 22.4 t -61.12 -43.29 96.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 124.962 1.305 . . . . 0.0 111.849 172.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -70.08 -34.67 73.47 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.633 1.106 . . . . 0.0 112.477 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.05 -49.19 77.59 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 121.392 -0.818 . . . . 0.0 111.357 167.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 22.6 t -56.83 -46.07 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.755 0.822 . . . . 0.0 112.192 175.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 138' ' ' ALA . . . . . 0.574 ' HB1' ' CE1' ' B' ' 103' ' ' PHE . . . -51.54 -54.89 22.64 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.533 1.133 . . . . 0.0 111.971 173.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -58.79 -39.85 82.31 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 176.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.34 -50.43 67.78 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.845 0.748 . . . . 0.0 112.321 177.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.68 -42.26 99.53 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.175 -0.953 . . . . 0.0 111.47 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.75 -11.52 37.32 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -62.71 -18.44 62.49 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 120.563 1.529 . . . . 0.0 114.264 -173.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -87.08 1.55 52.59 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.31 1.444 . . . . 0.0 113.906 171.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -135.96 -18.17 1.6 Allowed 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 125.929 1.692 . . . . 0.0 114.768 -177.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 79.5 m80 . . . . . 0 C--O 1.257 1.497 0 C-N-CA 128.302 2.641 . . . . 0.0 114.08 179.152 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.269 5.7 p . . . . . 0 N--CA 1.508 2.464 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 57.7 mt -136.33 -172.48 3.15 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.499 1.5 . . . . 0.0 112.724 -174.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.39 158.68 60.59 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 126.902 2.081 . . . . 0.0 112.467 -172.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.02 -30.01 9.44 Favored 'Trans proline' 0 CA--C 1.537 0.637 0 C-N-CA 123.047 2.498 . . . . 0.0 113.616 -173.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.32 -33.03 55.62 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.643 -0.661 . . . . 0.0 112.547 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.69 -41.24 79.45 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.338 -0.851 . . . . 0.0 112.686 -173.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -58.26 -45.33 88.03 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 118.069 -0.967 . . . . 0.0 111.683 171.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 40.2 m -57.41 -45.86 84.14 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 120.08 1.309 . . . . 0.0 111.951 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -66.74 -39.63 88.01 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 178.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 58.0 t -73.62 -38.13 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.727 177.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -55.81 -48.29 75.67 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 120.181 1.355 . . . . 0.0 110.936 169.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.25 -52.36 65.66 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.233 0.613 . . . . 0.0 111.397 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.13 -48.8 77.76 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -64.09 -30.19 71.28 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.39 -43.66 94.6 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.733 1.159 . . . . 0.0 113.239 171.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -66.07 -37.13 85.04 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 118.288 1.044 . . . . 0.0 111.749 172.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.13 -49.79 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 124.915 1.286 . . . . 0.0 112.706 177.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.57 -145.44 6.36 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 123.947 0.784 . . . . 0.0 114.572 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.37 -22.8 54.94 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -67.28 -7.8 27.05 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 174.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.425 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -45.54 -43.02 11.54 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.769 1.227 . . . . 0.0 113.853 175.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.11 -37.18 92.83 Favored Glycine 0 CA--C 1.528 0.857 0 O-C-N 122.024 -0.422 . . . . 0.0 113.591 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -44.61 82.7 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.293 1.037 . . . . 0.0 111.081 174.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -63.58 -39.78 95.26 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.167 0.587 . . . . 0.0 112.035 175.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.97 -59.69 10.4 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 124.289 0.947 . . . . 0.0 111.621 169.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.47 -53.28 47.75 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.58 1.152 . . . . 0.0 112.903 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -61.23 -35.74 78.04 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 123.497 0.719 . . . . 0.0 112.166 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.439 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -60.57 -40.58 92.2 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 118.939 0.79 . . . . 0.0 111.971 175.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mt -65.77 -45.61 81.87 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.345 0.521 . . . . 0.0 111.045 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -57.21 -42.48 81.39 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.944 0.898 . . . . 0.0 109.961 177.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -44.59 93.82 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 117.045 -1.455 . . . . 0.0 111.529 174.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 45.2 mtm -56.99 -51.4 69.36 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 119.751 1.159 . . . . 0.0 112.262 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.33 -49.06 70.61 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.596 0.758 . . . . 0.0 110.363 -178.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 41.0 mt -71.0 -40.54 71.76 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.26 0.624 . . . . 0.0 111.835 -177.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 93.2 p -82.2 -30.88 30.64 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -172.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -142.8 66.9 17.99 Favored Pre-proline 0 CA--C 1.542 0.635 0 C-N-CA 125.329 1.452 . . . . 0.0 109.598 -167.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -48.28 -26.92 8.93 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 124.918 3.745 . . . . 0.0 116.002 -169.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -37.16 -44.58 0.57 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 127.362 2.265 . . . . 0.0 113.291 166.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 5.0 t -58.12 -34.48 70.28 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -178.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -58.88 -22.38 59.16 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.363 1.465 . . . . 0.0 113.33 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -51.87 -28.65 16.76 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 173.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -57.99 -19.26 29.45 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 56.71 64.52 4.61 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 125.468 1.507 . . . . 0.0 112.562 -176.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -53.84 157.65 9.93 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 C-N-CA 122.897 2.398 . . . . 0.0 113.518 173.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -79.8 1.37 27.07 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -124.95 177.54 5.99 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.455 1.502 . . . . 0.0 114.014 -168.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -118.67 154.12 33.23 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.65 1.98 . . . . 0.0 111.327 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 20.4 mt -116.19 23.27 12.28 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.502 1.121 . . . . 0.0 112.8 -161.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 16.8 m -65.3 21.21 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 128.943 2.897 . . . . 0.0 117.539 -166.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 m80 58.16 144.0 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.934 2.494 . . . . 0.0 114.044 -160.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.4 22.44 61.23 Favored Glycine 0 CA--C 1.543 1.798 0 O-C-N 121.264 -0.897 . . . . 0.0 115.024 -176.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 48.1 t -65.46 115.06 5.31 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.017 1.327 . . . . 0.0 113.56 -170.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -40.26 76.1 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.733 1.213 . . . . 0.0 113.437 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -62.51 -41.02 98.56 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.655 -0.653 . . . . 0.0 111.888 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 41.2 t -65.99 -35.21 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 123.332 0.653 . . . . 0.0 111.111 177.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -62.78 -51.65 66.25 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 119.596 1.089 . . . . 0.0 111.634 171.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.38 -42.66 99.83 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 123.974 0.797 . . . . 0.0 112.818 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -63.74 -45.31 90.46 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.694 -0.886 . . . . 0.0 111.897 171.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.75 -45.9 68.42 Favored Glycine 0 CA--C 1.534 1.226 0 O-C-N 121.178 -0.951 . . . . 0.0 113.375 173.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -56.55 -43.83 80.29 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.564 1.146 . . . . 0.0 111.699 172.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -63.44 -47.49 81.66 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.003 0.921 . . . . 0.0 112.86 175.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 91.7 t -54.84 -44.94 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 119.043 0.838 . . . . 0.0 110.757 172.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 63' ' ' ALA . . . . . 0.425 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -63.06 -47.02 84.71 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 176.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -59.88 -39.04 83.96 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.654 1.116 . . . . 0.0 112.119 175.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 65' ' ' ALA . . . . . 0.405 ' HB1' HD11 ' C' ' 83' ' ' LEU . . . -61.55 -44.25 97.37 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 170.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -39.47 88.6 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.422 -0.799 . . . . 0.0 111.849 172.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 85.1 m -59.58 -46.64 88.32 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.873 -1.142 . . . . 0.0 111.566 170.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -27.81 68.07 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.545 1.066 . . . . 0.0 112.455 177.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.57 -49.76 65.32 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 119.489 1.041 . . . . 0.0 110.758 166.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 77.4 t -55.32 -37.38 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 119.961 1.255 . . . . 0.0 111.833 176.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.75 -25.38 67.9 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -145.41 22.64 1.49 Allowed 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -163.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.468 HG21 ' CE2' ' C' ' 128' ' ' PHE . 3.1 p -60.34 -24.64 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 CA-C-N 122.264 2.302 . . . . 0.0 115.946 -156.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.61 -6.71 57.35 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 120.558 -1.339 . . . . 0.0 113.999 174.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -129.59 1.16 4.98 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 128.777 2.831 . . . . 0.0 112.804 -172.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -69.81 -10.2 0.18 Allowed Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 118.203 2.668 . . . . 0.0 118.203 -178.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 77' ' ' PRO . . . . . 0.596 ' HA ' HG13 ' C' ' 135' ' ' VAL . 7.0 Cg_exo -38.74 -41.97 1.78 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 123.712 2.942 . . . . 0.0 117.002 176.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -101.47 -7.93 22.41 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 175.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.55 -22.8 56.73 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.398 -1.439 . . . . 0.0 113.11 175.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 17.6 mt -92.48 10.59 29.52 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 118.917 0.78 . . . . 0.0 112.954 170.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 39.0 m -56.88 -32.76 66.17 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.454 1.479 . . . . 0.0 114.218 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.78 -30.11 70.58 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 119.749 1.159 . . . . 0.0 112.891 171.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 83' ' ' LEU . . . . . 0.405 HD11 ' HB1' ' C' ' 65' ' ' ALA . 8.3 mt -82.56 -36.79 25.94 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.597 1.159 . . . . 0.0 111.208 177.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 17.6 t -59.82 -41.95 92.43 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 122.196 -0.315 . . . . 0.0 111.341 167.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.5 -47.82 84.48 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.495 1.118 . . . . 0.0 112.11 173.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 tp -47.7 -52.43 18.38 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.144 0.884 . . . . 0.0 111.741 166.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -34.93 76.07 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -174.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.75 -26.28 17.81 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -175.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -104.46 -10.59 17.58 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.14 1.376 . . . . 0.0 113.251 -174.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -123.97 -57.24 1.62 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -174.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 1.5 mp -136.51 -77.54 0.42 Allowed 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 116.258 -1.829 . . . . 0.0 114.282 175.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 147.52 69.02 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 130.992 3.717 . . . . 0.0 113.012 175.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 72.6 t -38.12 110.93 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 C-N-CA 126.592 1.957 . . . . 0.0 112.803 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -66.93 123.81 87.1 Favored Pre-proline 0 CA--C 1.54 0.587 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -172.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -63.25 -38.73 42.47 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.307 2.005 . . . . 0.0 112.156 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.91 -31.56 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 119.946 -1.721 . . . . 0.0 111.75 176.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -65.43 -30.07 70.83 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.226 0.921 . . . . 0.0 112.272 173.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -46.83 82.54 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.407 1.003 . . . . 0.0 111.786 172.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -57.2 -36.82 71.32 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.926 0.785 . . . . 0.0 111.811 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.42 -59.29 5.48 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.764 0.826 . . . . 0.0 109.274 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 101' ' ' LEU . . . . . 0.452 HD21 HBB3 ' C' ' 201' ' ' HEC . 0.1 OUTLIER -56.8 -38.24 72.28 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.829 0.852 . . . . 0.0 112.38 -179.713 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 29.3 t -57.16 -57.14 13.91 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.686 1.194 . . . . 0.0 112.346 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -30.09 71.14 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.332 -0.855 . . . . 0.0 111.324 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 104' ' ' CYS . . . . . 0.439 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 78.8 m -69.81 -32.61 71.15 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 172.134 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.07 -48.01 59.58 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 119.862 1.21 . . . . 0.0 110.876 169.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 6.6 mt -50.3 -41.05 50.28 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.667 -0.646 . . . . 0.0 111.708 171.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 4.0 t -57.41 -53.18 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 169.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 4.3 p -69.02 -30.81 69.25 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.359 0.981 . . . . 0.0 112.742 -177.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.55 -49.41 54.63 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.944 0.793 . . . . 0.0 110.569 173.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.63 -33.18 60.18 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 172.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.5 -9.12 46.91 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 176.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -131.51 -31.72 1.57 Allowed 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -176.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 9.3 mp -83.4 172.99 8.11 Favored Pre-proline 0 CA--C 1.56 1.341 0 C-N-CA 124.308 1.043 . . . . 0.0 110.904 176.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -58.71 -138.89 0.0 OUTLIER 'Trans proline' 0 CA--C 1.55 1.32 1 C-N-CA 125.817 4.345 . . . . 0.0 114.926 167.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.76 39.32 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.706 2.003 . . . . 0.0 115.222 175.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -38.43 -28.89 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 130.369 3.468 . . . . 0.0 115.679 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -72.0 8.52 1.22 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.721 2.008 . . . . 0.0 116.414 171.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.24 159.4 1.55 Allowed Pre-proline 0 N--CA 1.493 1.717 0 CA-C-N 121.478 1.944 . . . . 0.0 113.197 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -56.05 -44.59 45.48 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 122.059 1.839 . . . . 0.0 112.86 171.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.16 -59.64 3.88 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 119.366 -0.349 . . . . 0.0 110.353 174.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 24.4 t -68.16 -43.88 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 120.321 -1.487 . . . . 0.0 113.184 -171.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -69.8 -48.49 58.94 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 120.024 1.284 . . . . 0.0 112.323 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.47 -43.36 84.0 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 119.852 1.205 . . . . 0.0 110.616 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 54.6 m -62.34 -51.85 66.01 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.468 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.8 -42.0 95.36 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 120.537 1.517 . . . . 0.0 112.757 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.35 -50.48 73.51 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 120.091 1.314 . . . . 0.0 111.816 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 -29.1 59.87 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 128' ' ' PHE . . . . . 0.468 ' CE2' HG21 ' C' ' 73' ' ' VAL . 5.7 t80 -70.16 -46.14 65.31 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.576 1.08 . . . . 0.0 110.896 172.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.99 -37.13 81.42 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.396 -1.44 . . . . 0.0 110.413 172.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.55 96.34 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.817 1.044 . . . . 0.0 113.817 171.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 95.3 p -67.38 -40.48 85.72 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 120.413 1.461 . . . . 0.0 111.891 176.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 45.5 t -52.57 -49.37 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.641 1.177 . . . . 0.0 109.701 169.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 30.6 t -57.83 -54.58 45.25 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 172.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 96.9 m -51.38 -34.3 33.68 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.471 1.032 . . . . 0.0 112.247 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 135' ' ' VAL . . . . . 0.596 HG13 ' HA ' ' C' ' 77' ' ' PRO . 58.1 t -79.37 -42.58 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 123.715 0.806 . . . . 0.0 112.961 173.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -32.49 66.01 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.129 -1.607 . . . . 0.0 112.794 173.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 44.5 p -97.57 -1.37 44.04 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.658 1.983 . . . . 0.0 112.724 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 14.1 t -160.84 126.76 3.91 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.609 1.55 . . . . 0.0 113.81 177.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -56.09 -29.07 60.06 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.88 1.437 . . . . 0.0 114.88 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -161.34 -61.27 0.05 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.878 0.871 . . . . 0.0 112.768 -178.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 125.798 1.639 . . . . 0.0 113.771 -177.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.314 2.4 p . . . . . 0 N--CA 1.514 2.738 0 CA-C-O 117.571 -1.204 . . . . 0.0 112.964 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 27.57 80.07 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 127.851 2.46 . . . . 0.0 116.585 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 mt -57.5 163.44 2.39 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.037 1.335 . . . . 0.0 111.961 174.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.31 156.45 81.44 Favored Pre-proline 0 N--CA 1.485 1.283 0 CA-C-O 118.453 -0.784 . . . . 0.0 109.5 161.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -57.05 -45.83 33.13 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 122.661 2.241 . . . . 0.0 114.754 175.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.58 -35.33 77.23 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.294 -0.879 . . . . 0.0 111.986 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 7' ' ' GLU . . . . . 0.489 ' HG2' ' HB2' ' D' ' 129' ' ' ALA . 7.9 tt0 -69.3 -40.85 77.45 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.263 1.025 . . . . 0.0 111.022 176.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -60.45 -45.19 94.57 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.879 1.272 . . . . 0.0 111.587 171.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 34.0 t -54.47 -48.06 72.24 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 122.924 0.49 . . . . 0.0 110.764 175.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.25 -53.11 62.02 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 11' ' ' VAL . . . . . 0.427 HG23 ' CE2' ' D' ' 130' ' ' TYR . 6.3 p -65.59 -42.82 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 119.865 1.211 . . . . 0.0 111.781 -176.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -76.8 -31.32 56.88 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 118.414 0.552 . . . . 0.0 111.752 -175.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.4 -40.84 77.11 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.48 -1.387 . . . . 0.0 112.585 171.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tt -67.72 -29.5 68.75 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.159 -0.963 . . . . 0.0 111.635 173.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -64.95 -45.17 86.85 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.374 0.669 . . . . 0.0 112.08 164.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.6 -35.83 57.79 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.381 1.467 . . . . 0.0 115.007 -176.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -89.91 -10.59 44.61 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 174.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.75 135.67 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 123.917 0.887 . . . . 0.0 111.955 -169.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -83.01 80.96 8.88 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 172.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 46.7 t -50.22 -40.27 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 124.452 1.101 . . . . 0.0 113.653 -168.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.32 -35.56 73.72 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.867 0.867 . . . . 0.0 113.245 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -90.3 -49.68 6.4 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.36 -0.837 . . . . 0.0 111.311 -175.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 23' ' ' VAL . . . . . 0.433 HG22 HG13 ' D' ' 113' ' ' VAL . 0.5 OUTLIER -59.64 -35.1 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 123.559 0.744 . . . . 0.0 110.843 169.053 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.18 -46.95 67.15 Favored Glycine 0 N--CA 1.468 0.773 0 CA-C-N 119.934 1.243 . . . . 0.0 111.695 176.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.61 -44.13 95.76 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 117.573 0.686 . . . . 0.0 112.744 172.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -65.75 -34.76 78.92 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 124.104 0.962 . . . . 0.0 112.671 174.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 27' ' ' ALA . . . . . 0.609 ' HB2' HG11 ' D' ' 113' ' ' VAL . . . -65.59 -54.54 26.36 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.57 1.532 . . . . 0.0 109.925 176.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' D' ' 28' ' ' LEU . 8.3 tp -68.65 -40.87 80.03 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.17 -174.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.33 -58.67 7.79 Favored Glycine 0 N--CA 1.469 0.845 0 CA-C-O 119.031 -0.871 . . . . 0.0 112.421 163.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 -49.44 -31.92 10.8 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.587 1.555 . . . . 0.0 114.185 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tt -79.72 -51.07 9.67 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.251 1.387 . . . . 0.0 112.028 171.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 32' ' ' LEU . . . . . 0.426 ' HB3' HD11 ' D' ' 48' ' ' LEU . 6.3 mp -73.66 -14.58 61.18 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.399 -0.813 . . . . 0.0 111.842 -171.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 33' ' ' VAL . . . . . 0.401 ' C ' ' H ' ' D' ' 35' ' ' TYR . 34.9 m -85.67 -12.19 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -65.47 11.7 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 CA-C-N 122.13 2.241 . . . . 0.0 113.246 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 35' ' ' TYR . . . . . 0.401 ' H ' ' C ' ' D' ' 33' ' ' VAL . 1.5 t80 36.47 41.37 0.24 Allowed Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 128.554 2.742 . . . . 0.0 114.401 -157.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -76.52 165.04 29.71 Favored 'Trans proline' 0 C--N 1.357 1.026 0 C-N-CA 121.62 1.547 . . . . 0.0 109.968 -174.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 31.7 p90 -51.62 -30.24 20.61 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.233 -0.917 . . . . 0.0 112.349 166.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -31.32 27.9 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.993 1.317 . . . . 0.0 114.057 172.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -59.41 -19.53 47.94 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.823 1.192 . . . . 0.0 113.237 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -62.88 -16.85 60.43 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 120.328 -1.482 . . . . 0.0 113.884 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.32 -1.29 57.94 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 172.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 42' ' ' PHE . . . . . 0.519 ' HB2' HD13 ' D' ' 48' ' ' LEU . 1.6 p90 -62.91 -9.9 11.48 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 117.081 2.252 . . . . 0.0 117.081 -163.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -51.7 -26.3 9.03 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 44' ' ' SER . . . . . 0.417 ' O ' ' HE3' ' D' ' 59' ' ' LYS . 34.0 p -86.74 8.47 22.49 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.278 1.431 . . . . 0.0 114.688 174.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -115.35 -14.97 11.6 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.639 1.175 . . . . 0.0 113.815 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.3 -146.27 24.85 Favored Glycine 0 CA--C 1.535 1.322 0 CA-C-N 120.709 1.595 . . . . 0.0 112.865 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.61 117.79 3.65 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.692 0.797 . . . . 0.0 112.04 176.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 48' ' ' LEU . . . . . 0.519 HD13 ' HB2' ' D' ' 42' ' ' PHE . 8.7 tt -153.63 -23.55 0.14 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -174.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 4.0 m -58.32 -7.91 1.0 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 116.38 1.992 . . . . 0.0 116.38 -169.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 50' ' ' THR . . . . . 0.402 ' HB ' ' HD2' ' D' ' 51' ' ' PRO . 34.4 p -142.8 163.68 36.95 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 127.561 2.345 . . . . 0.0 109.453 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 51' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' D' ' 50' ' ' THR . 5.6 Cg_endo -57.36 -49.26 14.28 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 121.973 1.782 . . . . 0.0 112.649 176.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.38 -38.51 84.15 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.9 0.88 . . . . 0.0 111.958 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.67 -60.72 3.38 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.88 0.472 . . . . 0.0 111.284 173.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 1.3 p -66.14 -39.01 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -171.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 44.2 mtt -77.62 -22.0 51.42 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -173.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.63 -19.73 19.31 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.364 0.983 . . . . 0.0 114.481 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -68.14 125.73 91.85 Favored Pre-proline 0 CA--C 1.548 0.893 0 CA-C-N 118.57 1.185 . . . . 0.0 113.835 -172.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.75 -38.91 37.02 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.079 2.519 . . . . 0.0 113.61 -171.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 59' ' ' LYS . . . . . 0.417 ' HE3' ' O ' ' D' ' 44' ' ' SER . 44.0 tttp -63.99 -35.0 79.28 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.621 1.101 . . . . 0.0 113.146 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 64.6 t -64.96 -46.37 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.914 0.885 . . . . 0.0 110.695 169.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -64.31 -40.03 95.11 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 119.171 0.896 . . . . 0.0 112.42 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.9 -33.6 72.4 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.435 1.494 . . . . 0.0 114.203 175.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.13 -38.72 82.52 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.472 -1.392 . . . . 0.0 111.165 164.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.13 -51.04 31.92 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.205 1.383 . . . . 0.0 113.416 168.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -52.94 -40.5 63.7 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.297 1.439 . . . . 0.0 113.232 171.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -51.95 11.5 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.715 0.806 . . . . 0.0 112.473 -178.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 16.7 m -56.87 -40.58 72.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 CA-C-N 119.533 1.06 . . . . 0.0 111.389 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tt -84.73 -35.1 22.7 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.964 -1.085 . . . . 0.0 112.756 -175.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.09 -40.39 82.96 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 121.424 -0.798 . . . . 0.0 111.852 165.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.73 -46.57 75.02 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 117.835 0.818 . . . . 0.0 112.986 170.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -54.23 -33.69 58.95 Favored 'General case' 0 CA--C 1.556 1.194 0 CA-C-N 121.002 1.728 . . . . 0.0 112.586 170.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -41.18 75.26 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 170.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -55.21 -33.15 62.82 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.748 1.158 . . . . 0.0 111.72 169.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.07 -63.96 4.71 Favored Glycine 0 C--N 1.338 0.676 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 166.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.5 mt -53.08 -21.97 5.42 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.18 -25.59 25.59 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.821 1.648 . . . . 0.0 114.93 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -144.29 44.01 1.42 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.537 1.535 . . . . 0.0 112.902 -170.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.64 -18.64 32.24 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.36 -38.56 71.57 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.212 1.405 . . . . 0.0 114.085 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -157.97 90.76 1.08 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.928 0.891 . . . . 0.0 112.77 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 71.4 mt -65.55 -27.06 68.17 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -67.33 4.34 1.0 Allowed 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -174.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -122.0 -42.23 0.45 Allowed Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.738 1.637 . . . . 0.0 112.98 176.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 5.8 p -70.96 -24.97 62.52 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.352 1.076 . . . . 0.0 113.481 173.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -106.19 -3.72 21.05 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.42 -41.18 65.76 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 120.099 1.318 . . . . 0.0 114.522 -171.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 15.0 p -64.89 -34.61 78.79 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.325 1.05 . . . . 0.0 112.788 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 43.3 mt -74.35 -37.6 63.46 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.455 1.102 . . . . 0.0 111.286 175.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -60.8 -44.68 96.54 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.391 0.996 . . . . 0.0 111.045 170.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -60.22 -38.77 84.4 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.621 0.768 . . . . 0.0 111.971 171.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 15.1 tp -69.36 -57.52 5.19 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.087 -1.008 . . . . 0.0 111.87 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -73.7 -12.44 60.73 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -176.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 78.4 m -109.7 -90.35 0.47 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.032 0.933 . . . . 0.0 110.538 167.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -51.7 -34.61 39.44 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 116.196 1.925 . . . . 0.0 116.196 -167.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -87.02 -53.24 4.98 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.381 1.072 . . . . 0.0 113.77 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 52.4 mt -105.44 -33.24 8.2 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.067 1.347 . . . . 0.0 113.223 -170.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 41.94 31.02 0.2 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 128.152 2.581 . . . . 0.0 115.437 -174.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -57.72 145.85 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 O-C-N 121.267 -0.896 . . . . 0.0 110.772 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -58.57 130.6 85.09 Favored Pre-proline 0 CA--C 1.549 0.927 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -160.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.73 -37.45 56.35 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 122.572 2.182 . . . . 0.0 114.354 -164.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.97 -27.9 6.06 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.369 -1.457 . . . . 0.0 114.381 171.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.9 -34.97 77.01 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.147 -0.971 . . . . 0.0 112.06 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 103' ' ' PHE . . . . . 0.572 ' CE1' ' HB1' ' D' ' 138' ' ' ALA . 1.3 p90 -64.25 -41.19 97.06 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.791 1.632 . . . . 0.0 111.065 175.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -63.3 -47.1 83.68 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.973 0.509 . . . . 0.0 109.819 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 96.8 mt -56.03 -49.25 74.22 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.826 174.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -43.37 98.15 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.566 1.075 . . . . 0.0 110.74 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.67 -56.21 26.33 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 124.217 0.913 . . . . 0.0 113.986 176.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.91 -40.35 88.51 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.179 0.99 . . . . 0.0 111.036 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 13.7 t -59.89 -42.51 89.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 118.499 -0.762 . . . . 0.0 112.512 175.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 6.9 tp -57.16 -52.57 64.76 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 118.608 0.64 . . . . 0.0 110.637 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 111' ' ' VAL . . . . . 0.416 HG12 ' HB3' ' D' ' 130' ' ' TYR . 0.9 OUTLIER -55.33 -39.09 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 CA-C-N 118.575 0.625 . . . . 0.0 109.826 -177.611 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 10.6 t -73.05 -33.33 65.63 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 113' ' ' VAL . . . . . 0.609 HG11 ' HB2' ' D' ' 27' ' ' ALA . 1.6 p -61.67 -37.6 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 121.136 1.789 . . . . 0.0 111.719 171.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 mt -64.11 -35.75 81.77 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.922 -0.486 . . . . 0.0 110.076 177.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.19 -34.26 74.63 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 170.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -59.15 -60.31 4.06 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 120.413 1.461 . . . . 0.0 110.198 168.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -71.09 -26.22 62.95 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -167.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -130.55 40.57 3.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.468 1.107 . . . . 0.0 112.271 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -55.5 -5.21 0.74 Allowed Glycine 0 CA--C 1.541 1.659 0 C-N-CA 126.369 1.938 . . . . 0.0 117.41 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -85.28 -21.72 28.89 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.732 1.266 . . . . 0.0 113.117 170.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -135.64 6.13 3.2 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.792 1.637 . . . . 0.0 113.174 -170.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -61.62 29.99 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 128.974 2.91 . . . . 0.0 117.027 176.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 16.2 p -42.31 147.9 0.55 Allowed Pre-proline 0 N--CA 1.482 1.136 0 C-N-CA 125.836 1.654 . . . . 0.0 115.263 -167.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -43.62 -46.89 9.94 Favored 'Trans proline' 0 CA--C 1.547 1.162 0 C-N-CA 122.687 2.258 . . . . 0.0 114.64 171.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.45 -32.91 18.91 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 121.706 1.604 . . . . 0.0 114.745 173.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.33 -39.57 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 122.288 2.313 . . . . 0.0 112.093 177.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -63.4 -41.56 98.75 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.261 0.624 . . . . 0.0 110.815 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.56 -41.21 96.47 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 173.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 129' ' ' ALA . . . . . 0.489 ' HB2' ' HG2' ' D' ' 7' ' ' GLU . . . -59.36 -47.58 84.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 119.139 0.882 . . . . 0.0 111.959 172.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 130' ' ' TYR . . . . . 0.427 ' CE2' HG23 ' D' ' 11' ' ' VAL . 10.6 m-85 -52.19 -50.25 62.25 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 118.826 -0.607 . . . . 0.0 111.043 167.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -57.29 -37.93 73.19 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.4 1.0 . . . . 0.0 113.508 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -72.33 -44.03 63.24 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 120.473 1.488 . . . . 0.0 112.359 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 23.1 m -63.23 -38.54 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 CA-C-N 119.822 1.192 . . . . 0.0 111.051 172.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 22.5 t -61.08 -43.27 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.972 1.309 . . . . 0.0 111.955 172.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.99 -34.99 74.04 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.569 1.077 . . . . 0.0 112.407 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -61.89 -49.09 79.21 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 121.445 -0.785 . . . . 0.0 111.365 167.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 22.3 t -56.9 -46.17 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 123.732 0.813 . . . . 0.0 112.187 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 138' ' ' ALA . . . . . 0.572 ' HB1' ' CE1' ' D' ' 103' ' ' PHE . . . -51.55 -54.71 24.58 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.356 1.063 . . . . 0.0 112.007 173.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -58.78 -39.97 82.61 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 176.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.44 -50.42 67.62 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.703 0.683 . . . . 0.0 112.331 177.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.59 -42.36 99.52 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.181 0.9 . . . . 0.0 111.549 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.45 -11.78 36.89 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -62.75 -18.26 62.3 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 120.423 1.465 . . . . 0.0 114.275 -173.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -87.29 1.78 52.18 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.324 1.45 . . . . 0.0 113.863 171.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -136.16 -18.16 1.56 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.858 1.663 . . . . 0.0 114.744 -177.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 79.2 m80 . . . . . 0 C--O 1.257 1.489 0 C-N-CA 128.354 2.662 . . . . 0.0 114.079 179.071 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.435 HBB3 HD21 ' A' ' 101' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 201' ' ' HEC . . . . . 0.54 ' HHC' HBB3 ' B' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 201' ' ' HEC . . . . . 0.452 HBB3 HD21 ' C' ' 101' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 201' ' ' HEC . . . . . 0.54 ' HHC' HBB3 ' D' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.512 2.647 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mp -147.81 176.07 10.42 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 126.551 1.941 . . . . 0.0 111.408 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.76 151.48 71.09 Favored Pre-proline 0 N--CA 1.478 0.973 0 CA-C-N 119.289 0.95 . . . . 0.0 112.132 175.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -51.3 -43.12 51.12 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.162 3.241 . . . . 0.0 114.868 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.38 93.83 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.832 0.453 . . . . 0.0 111.457 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -58.08 -45.38 87.26 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 122.987 0.515 . . . . 0.0 110.805 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -58.92 -51.57 69.47 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.76 0.824 . . . . 0.0 109.956 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.1 m -57.13 -47.18 81.76 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.103 0.865 . . . . 0.0 112.041 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -61.83 -43.34 99.05 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.101 0.56 . . . . 0.0 111.606 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 36.5 t -63.25 -47.41 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.53 1.132 . . . . 0.0 112.217 175.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.64 -44.37 96.46 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.568 1.077 . . . . 0.0 111.07 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -52.21 66.59 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.113 0.565 . . . . 0.0 111.222 174.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.31 -52.36 63.72 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.0 0.92 . . . . 0.0 112.133 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -62.94 -29.24 70.64 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.661 0.785 . . . . 0.0 113.065 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.58 -41.91 99.66 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.494 1.045 . . . . 0.0 113.323 169.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -33.13 67.77 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.502 1.151 . . . . 0.0 111.898 172.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.84 -49.2 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 123.604 0.761 . . . . 0.0 111.489 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.48 -139.63 9.01 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 123.854 0.74 . . . . 0.0 113.844 -177.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.41 -21.13 59.5 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 114.468 1.285 . . . . 0.0 114.468 177.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -67.27 -10.25 48.81 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.35 -47.06 37.33 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.452 1.101 . . . . 0.0 113.501 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.27 -36.2 92.91 Favored Glycine 0 C--N 1.341 0.855 0 CA-C-O 119.742 -0.476 . . . . 0.0 113.169 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -62.27 -50.59 71.11 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.93 0.892 . . . . 0.0 110.451 172.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -63.98 -37.43 87.39 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 122.988 0.515 . . . . 0.0 111.977 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.52 -50.52 58.79 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 124.016 0.817 . . . . 0.0 112.814 172.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.36 -48.23 77.25 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.592 1.196 . . . . 0.0 111.568 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -62.26 -37.89 87.19 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.881 0.873 . . . . 0.0 112.851 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.03 -39.93 87.12 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 119.31 0.959 . . . . 0.0 111.964 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.4 mt -64.02 -51.05 66.03 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.978 0.911 . . . . 0.0 110.909 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.07 -50.11 73.77 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.678 0.391 . . . . 0.0 110.709 175.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -50.98 -48.6 61.13 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 117.832 -1.08 . . . . 0.0 111.732 173.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -55.62 -40.23 71.85 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.289 0.949 . . . . 0.0 112.938 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -66.4 -32.42 73.79 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.181 1.355 . . . . 0.0 114.292 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.424 ' H ' ' HG ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -90.91 -35.24 14.85 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 177.365 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.0 p -76.7 -34.72 58.15 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.41 1.084 . . . . 0.0 112.39 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.14 66.3 59.61 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.585 1.554 . . . . 0.0 109.506 -175.098 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -45.6 -28.48 4.38 Favored 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 124.534 3.49 . . . . 0.0 115.557 -171.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -41.27 -36.25 0.76 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.238 1.415 . . . . 0.0 113.804 170.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.6 p -65.45 -26.99 68.2 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 119.89 -1.756 . . . . 0.0 114.929 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -28.28 69.55 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 120.343 1.429 . . . . 0.0 112.143 168.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -23.23 67.24 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.328 1.051 . . . . 0.0 112.993 176.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -68.53 -7.81 35.73 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 173.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 t80 63.42 58.31 2.0 Allowed Pre-proline 0 CA--C 1.56 1.339 0 C-N-CA 124.97 1.308 . . . . 0.0 113.744 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -56.66 169.52 1.72 Allowed 'Trans proline' 0 CA--C 1.546 1.078 0 C-N-CA 123.943 3.095 . . . . 0.0 115.125 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -128.54 6.42 5.7 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.575 1.695 . . . . 0.0 115.575 -173.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -81.26 23.02 0.62 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -172.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.93 -39.91 0.27 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 128.362 2.665 . . . . 0.0 115.69 -173.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.0 mt 56.68 18.93 3.96 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 127.44 2.296 . . . . 0.0 114.911 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.9 m -70.38 20.99 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 127.484 2.314 . . . . 0.0 115.938 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 61.81 141.56 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 128.027 2.531 . . . . 0.0 113.723 -162.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.9 32.91 67.01 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.34 0.972 . . . . 0.0 114.612 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 t -53.24 121.23 7.14 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.574 1.15 . . . . 0.0 113.432 -172.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.17 -21.02 65.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.975 0.91 . . . . 0.0 113.17 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -80.83 -41.57 23.03 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.674 -0.641 . . . . 0.0 110.593 174.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.7 t -62.52 -43.88 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 O-C-N 121.446 -0.784 . . . . 0.0 111.964 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -61.5 -40.85 96.1 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 119.818 1.19 . . . . 0.0 112.512 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.66 -53.23 32.68 Favored Glycine 0 N--CA 1.47 0.924 0 C-N-CA 124.377 0.989 . . . . 0.0 111.583 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -52.24 -46.55 65.78 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.592 0.757 . . . . 0.0 111.481 172.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.11 -46.01 62.53 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.221 0.915 . . . . 0.0 114.282 173.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -37.36 78.39 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 119.205 1.502 . . . . 0.0 112.731 172.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.432 ' HB3' HMA3 ' A' ' 201' ' ' HEC . 18.0 mmtt -72.88 -42.92 63.12 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.603 0.761 . . . . 0.0 110.835 179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.3 t -54.59 -47.09 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 119.346 0.976 . . . . 0.0 110.716 168.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.03 83.6 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -62.21 -38.31 88.64 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.967 0.803 . . . . 0.0 112.136 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.68 -38.36 87.5 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 170.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.76 -46.36 88.38 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.595 0.758 . . . . 0.0 111.303 170.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.8 m -57.28 -43.99 83.62 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.713 1.142 . . . . 0.0 112.011 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -60.17 -43.88 95.49 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.44 1.096 . . . . 0.0 111.397 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.81 -42.52 97.82 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 118.318 -0.849 . . . . 0.0 112.167 172.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.9 t -62.97 -46.6 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 119.994 1.27 . . . . 0.0 111.397 174.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.02 -28.07 69.32 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.304 1.441 . . . . 0.0 113.65 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -129.68 36.23 4.1 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 125.507 1.523 . . . . 0.0 111.689 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.5 p -66.64 -11.9 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 120.103 -1.623 . . . . 0.0 114.686 -171.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -88.5 -10.2 49.8 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 120.438 -1.414 . . . . 0.0 114.098 168.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -140.42 2.36 1.84 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.072 1.749 . . . . 0.0 114.191 -165.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . 0.328 0.0 OUTLIER -63.92 -17.29 0.4 Allowed Pre-proline 0 CA--C 1.545 0.777 0 CA-C-O 114.609 -2.615 . . . . 0.0 117.848 -177.664 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.482 ' HA ' HG13 ' A' ' 135' ' ' VAL . 4.4 Cg_exo -38.05 -29.44 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 124.995 3.797 . . . . 0.0 118.482 171.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -115.37 -16.12 11.48 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.01 -17.74 63.96 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 120.555 -1.341 . . . . 0.0 114.388 177.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.6 mt -100.28 10.21 41.56 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.937 0.895 . . . . 0.0 112.573 171.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.9 t -55.62 -41.51 73.6 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.394 1.078 . . . . 0.0 113.083 -178.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.3 -27.17 67.08 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.034 -1.041 . . . . 0.0 113.481 173.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mt -82.63 -38.84 22.96 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.865 0.866 . . . . 0.0 111.033 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.0 t -55.01 -44.93 75.02 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 119.301 -0.381 . . . . 0.0 110.811 162.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -61.14 -50.33 73.64 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.849 0.86 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.71 -38.07 80.62 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.326 -0.859 . . . . 0.0 112.023 175.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -68.05 -65.64 0.67 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.458 0.572 . . . . 0.0 109.987 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.77 -51.37 56.83 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.386 1.474 . . . . 0.0 113.033 -174.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -73.44 -3.83 29.9 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -174.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -139.63 -44.48 0.44 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -172.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.76 -41.84 0.28 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 -167.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 48.09 37.74 8.48 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.701 1.6 . . . . 0.0 114.284 165.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.4 t -56.08 139.68 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.675 1.19 . . . . 0.0 110.271 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.61 132.94 93.24 Favored Pre-proline 0 CA--C 1.544 0.712 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -173.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -39.6 -31.24 0.38 Allowed 'Trans proline' 0 C--N 1.353 0.784 1 C-N-CA 126.324 4.683 . . . . 0.0 117.765 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.0 t -44.1 -34.58 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 121.703 2.047 . . . . 0.0 112.734 171.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.573 ' HB3' HMC1 ' A' ' 201' ' ' HEC . 36.2 m-80 -56.89 -36.93 70.7 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 174.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 133' ' ' SER . 0.0 OUTLIER -54.69 -44.53 73.47 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 171.688 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -61.35 -36.76 81.09 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.444 0.698 . . . . 0.0 110.492 -170.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 mt -65.15 -55.37 19.05 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.388 1.475 . . . . 0.0 109.775 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.403 HD23 HMC3 ' A' ' 201' ' ' HEC . 0.1 OUTLIER -59.01 -37.66 77.42 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.782 0.833 . . . . 0.0 111.366 177.06 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.3 m -73.49 -36.96 65.87 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.898 1.279 . . . . 0.0 114.227 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -56.4 -46.73 80.01 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.147 0.885 . . . . 0.0 110.548 162.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 74.3 m -62.91 -38.59 91.56 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.709 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.0 mt -57.5 -55.87 29.28 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 124.401 1.08 . . . . 0.0 110.349 168.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.3 mt -52.2 -38.56 58.27 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.851 1.205 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.2 t -58.93 -56.42 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.138 0.975 . . . . 0.0 112.348 169.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -36.18 81.43 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.433 1.015 . . . . 0.0 111.995 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.6 mt -59.52 -59.58 5.22 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 123.92 0.888 . . . . 0.0 108.614 172.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.09 -27.19 19.17 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.882 1.219 . . . . 0.0 114.276 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.15 -29.1 31.78 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 176.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -131.8 -18.28 2.74 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -166.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 tt -105.14 128.47 26.58 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 128.408 2.683 . . . . 0.0 106.655 173.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -69.83 74.44 1.32 Allowed 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 122.996 2.464 . . . . 0.0 110.681 170.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.36 -15.72 63.84 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.287 1.035 . . . . 0.0 112.545 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 56.94 9.62 0.65 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.932 1.693 . . . . 0.0 113.344 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 8.9 p90 44.0 24.53 0.08 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 128.666 2.786 . . . . 0.0 115.048 177.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.57 160.21 77.76 Favored Pre-proline 0 N--CA 1.468 0.465 0 C-N-CA 125.068 1.347 . . . . 0.0 111.088 -175.136 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -59.51 -44.81 29.77 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 121.843 1.695 . . . . 0.0 112.346 168.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.9 -49.03 76.8 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 117.98 0.354 . . . . 0.0 111.062 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.9 t -75.04 -50.68 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 120.661 -1.275 . . . . 0.0 112.31 -177.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -65.92 -41.2 91.68 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 120.625 -1.297 . . . . 0.0 111.557 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.56 -57.6 9.62 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.05 173.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 91.4 p -55.5 -43.48 75.7 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 117.155 -1.402 . . . . 0.0 112.714 -175.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.74 -49.28 66.48 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 120.574 1.534 . . . . 0.0 111.132 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -59.25 -50.57 73.51 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.555 1.07 . . . . 0.0 112.204 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -28.76 64.67 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -63.07 -49.04 76.08 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 119.73 1.15 . . . . 0.0 110.422 169.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.45 -33.38 75.44 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.194 0.906 . . . . 0.0 111.092 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.18 -39.54 86.82 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 119.632 1.106 . . . . 0.0 113.112 167.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.3 t -66.56 -45.28 79.87 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.727 -1.233 . . . . 0.0 112.655 173.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 64.0 t -54.08 -45.85 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.021 0.928 . . . . 0.0 109.899 171.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.432 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . 32.1 t -60.29 -54.6 43.84 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.667 1.187 . . . . 0.0 113.632 174.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 21.2 m -50.54 -42.27 55.0 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.531 1.06 . . . . 0.0 110.547 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.482 HG13 ' HA ' ' A' ' 77' ' ' PRO . 70.7 t -68.88 -47.14 77.56 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 118.316 -0.85 . . . . 0.0 112.801 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -29.19 65.48 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.627 1.558 . . . . 0.0 112.925 174.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 89.2 m -76.56 -15.21 59.91 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 128.042 2.537 . . . . 0.0 113.034 175.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.4 m -119.4 157.87 27.32 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.273 1.429 . . . . 0.0 112.748 -173.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.58 -30.36 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 -173.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -145.17 120.34 10.14 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 125.742 1.617 . . . . 0.0 109.521 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 . . . . . 0 C--O 1.256 1.415 0 C-N-CA 125.549 1.54 . . . . 0.0 113.936 -175.068 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.32 3.5 p . . . . . 0 N--CA 1.516 2.864 0 CA-C-O 116.928 -1.511 . . . . 0.0 112.787 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 22.27 73.47 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 127.831 2.453 . . . . 0.0 115.227 -176.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.29 163.31 13.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.932 0.493 . . . . 0.0 111.731 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.56 152.03 90.48 Favored Pre-proline 0 N--CA 1.48 1.041 0 CA-C-O 118.504 -0.76 . . . . 0.0 109.581 166.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -53.51 -38.41 83.38 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.881 2.387 . . . . 0.0 114.658 173.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -71.79 -43.22 66.05 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.534 -0.729 . . . . 0.0 112.216 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.51 -42.87 95.54 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.679 -0.638 . . . . 0.0 111.364 175.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.09 -52.86 59.63 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.792 1.237 . . . . 0.0 110.827 170.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -54.19 -45.91 72.26 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 118.722 0.692 . . . . 0.0 111.353 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.04 -52.77 64.14 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.56 HG23 ' CE1' ' B' ' 130' ' ' TYR . 4.0 p -65.12 -50.16 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-N 119.76 1.164 . . . . 0.0 112.467 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -70.68 -36.07 73.14 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.167 0.894 . . . . 0.0 112.171 -172.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.26 -37.7 88.43 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.503 1.047 . . . . 0.0 111.989 172.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.92 -39.4 87.35 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.44 -0.788 . . . . 0.0 111.202 172.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -25.8 61.34 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 164.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.82 -38.89 85.83 Favored Glycine 0 CA--C 1.535 1.284 0 CA-C-N 118.847 0.749 . . . . 0.0 113.239 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -89.49 -19.4 25.12 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -53.6 133.73 16.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 124.34 1.056 . . . . 0.0 113.139 -169.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -87.19 85.03 7.17 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.937 0.895 . . . . 0.0 108.851 174.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.4 t -52.26 -35.56 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 124.305 1.042 . . . . 0.0 113.485 -169.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -44.09 86.41 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.944 1.297 . . . . 0.0 113.046 174.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -95.51 -38.39 10.46 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.658 -0.651 . . . . 0.0 111.444 -167.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -34.98 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 O-C-N 121.382 -0.824 . . . . 0.0 110.613 165.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.29 -46.81 67.79 Favored Glycine 0 N--CA 1.468 0.797 0 CA-C-O 119.478 -0.623 . . . . 0.0 111.61 174.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.32 -42.83 95.75 Favored Glycine 0 N--CA 1.47 0.931 0 CA-C-N 118.044 0.922 . . . . 0.0 113.746 170.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -64.5 -38.27 90.42 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 123.533 0.733 . . . . 0.0 112.195 173.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.95 -51.49 39.12 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 119.605 1.093 . . . . 0.0 111.801 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.449 HD21 ' CD2' ' B' ' 63' ' ' HIS . 1.0 OUTLIER -75.77 -22.44 56.43 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.37 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.576 ' O ' HG13 ' B' ' 33' ' ' VAL . . . -68.93 -58.93 6.32 Favored Glycine 0 N--CA 1.464 0.541 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 164.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.527 ' HA ' HG22 ' B' ' 33' ' ' VAL . 39.6 mtt180 -53.87 -33.98 58.03 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.65 -1.5 . . . . 0.0 112.623 176.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.457 ' HA ' HG21 ' B' ' 109' ' ' VAL . 58.9 tp -49.85 -39.77 40.19 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.504 1.122 . . . . 0.0 113.184 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.04 -11.19 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 118.624 -0.703 . . . . 0.0 112.217 -168.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.576 HG13 ' O ' ' B' ' 29' ' ' GLY . 15.2 m -62.34 -24.86 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 119.598 1.09 . . . . 0.0 111.8 166.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -58.68 1.53 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 173.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.69 38.19 0.45 Allowed Pre-proline 0 CA--C 1.557 1.22 0 C-N-CA 126.533 1.933 . . . . 0.0 114.397 -168.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -77.51 178.92 7.03 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 122.809 2.339 . . . . 0.0 110.733 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 13.9 p90 -50.09 -31.74 14.03 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 120.918 -1.114 . . . . 0.0 113.063 167.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.27 -25.12 61.41 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.855 1.262 . . . . 0.0 113.956 174.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -27.1 59.94 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.221 0.919 . . . . 0.0 111.153 173.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 ptt-85 -48.9 -38.91 24.06 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.925 1.239 . . . . 0.0 113.894 174.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.04 0.33 45.38 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.603 1.161 . . . . 0.0 112.087 -174.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.57 -35.2 40.16 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.528 -1.358 . . . . 0.0 114.513 177.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -59.92 -16.42 29.49 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 18.1 t -85.0 -23.44 28.67 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.756 ' HB2' HD11 ' B' ' 48' ' ' LEU . 12.0 m-85 -96.15 -2.59 46.11 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.893 -1.129 . . . . 0.0 113.344 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.1 31.51 75.06 Favored Glycine 0 N--CA 1.478 1.459 0 N-CA-C 116.321 1.288 . . . . 0.0 116.321 162.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.556 ' C ' HD12 ' B' ' 48' ' ' LEU . 0.5 OUTLIER -165.76 -129.6 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.85 1.66 . . . . 0.0 108.715 -172.797 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' B' ' 45' ' ' PHE . 0.2 OUTLIER 63.3 -8.06 0.15 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 127.855 2.462 . . . . 0.0 116.71 168.407 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 41.8 m -57.0 -18.41 13.57 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.302 1.841 . . . . 0.0 114.401 172.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.4 p -141.16 162.69 46.57 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 125.748 1.619 . . . . 0.0 110.78 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -55.48 -54.65 3.94 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.825 2.35 . . . . 0.0 112.082 172.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -61.74 -39.29 91.06 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.011 0.925 . . . . 0.0 111.853 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.07 -46.81 78.84 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 123.22 0.608 . . . . 0.0 110.913 173.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.467 HG11 ' CG1' ' B' ' 33' ' ' VAL . 0.3 OUTLIER -70.93 -46.56 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 119.964 1.256 . . . . 0.0 113.35 -178.644 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 1.7 mtt -70.43 -23.3 62.7 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.801 0.728 . . . . 0.0 112.037 -173.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.58 -11.0 49.01 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.884 1.231 . . . . 0.0 115.268 174.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -61.6 120.16 53.65 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-N 119.882 1.841 . . . . 0.0 111.658 -176.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -63.72 -24.76 68.84 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.91 2.407 . . . . 0.0 113.488 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -76.11 -47.27 25.06 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.029 1.286 . . . . 0.0 112.885 -178.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -66.4 -34.1 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 CA-C-N 119.264 0.938 . . . . 0.0 112.444 170.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -57.86 -57.51 12.47 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.465 1.03 . . . . 0.0 111.419 167.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.75 -50.84 69.31 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.414 1.486 . . . . 0.0 112.905 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' HIS . . . . . 0.449 ' CD2' HD21 ' B' ' 28' ' ' LEU . 0.9 OUTLIER -64.63 -33.98 77.2 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.53 -0.732 . . . . 0.0 111.674 174.786 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.79 -40.48 64.38 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 125.386 1.469 . . . . 0.0 112.815 168.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.28 -41.02 98.96 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.766 -0.844 . . . . 0.0 111.777 173.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -63.7 -52.41 60.69 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.443 0.697 . . . . 0.0 111.105 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.408 HG12 ' C1B' ' B' ' 201' ' ' HEC . 30.7 m -59.48 -46.93 92.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 122.591 0.356 . . . . 0.0 111.029 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.38 -38.26 68.53 Favored 'General case' 0 C--O 1.224 -0.275 0 O-C-N 121.26 -0.9 . . . . 0.0 111.768 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.07 -42.6 55.02 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.009 0.814 . . . . 0.0 111.64 172.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.97 -47.27 81.05 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 170.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.449 ' CE2' HD23 ' B' ' 110' ' ' LEU . 2.3 m-30 -55.46 -37.07 67.28 Favored 'General case' 0 CA--C 1.554 1.098 0 O-C-N 120.195 -1.566 . . . . 0.0 111.655 175.141 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.1 t -67.72 -42.89 81.24 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.335 1.454 . . . . 0.0 113.254 172.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -56.15 -31.58 63.48 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.01 0.823 . . . . 0.0 111.886 167.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.25 -61.97 6.35 Favored Glycine 0 C--N 1.337 0.637 0 C-N-CA 124.482 1.039 . . . . 0.0 110.986 169.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 mt -54.13 -27.81 35.76 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.88 -27.35 54.99 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 172.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -143.03 54.8 1.37 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.221 1.808 . . . . 0.0 112.477 -171.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.06 -11.49 59.09 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.809 -1.182 . . . . 0.0 113.813 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -59.29 -38.47 80.28 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.895 1.278 . . . . 0.0 113.661 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -153.91 107.47 2.96 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.537 1.535 . . . . 0.0 110.374 175.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.3 mt -83.01 -21.76 33.79 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 173.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -69.31 -7.59 38.46 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.575 -1.328 . . . . 0.0 113.888 -174.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -115.71 -46.42 0.56 Allowed Glycine 0 CA--C 1.536 1.367 0 C-N-CA 125.779 1.657 . . . . 0.0 113.577 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.2 p -60.67 -26.75 67.32 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 118.669 1.235 . . . . 0.0 113.386 173.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -108.55 -1.98 19.25 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 118.012 -0.994 . . . . 0.0 113.362 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.74 -38.8 67.58 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 120.637 1.562 . . . . 0.0 114.239 -174.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 6.5 p -64.38 -35.48 81.03 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.426 1.09 . . . . 0.0 112.666 172.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 45.3 mt -73.03 -39.63 65.8 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.821 0.848 . . . . 0.0 111.046 173.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.5 m -56.26 -47.86 77.71 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.827 -1.171 . . . . 0.0 111.077 171.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -62.41 -43.92 97.68 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.978 1.311 . . . . 0.0 112.83 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 44.6 tp -58.8 -53.06 62.6 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.29 -0.881 . . . . 0.0 111.84 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -77.12 6.06 7.16 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 18.8 p -119.63 -76.49 0.58 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.724 0.693 . . . . 0.0 110.988 161.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.38 -22.78 65.28 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 115.211 1.559 . . . . 0.0 115.211 -167.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.26 -28.6 11.79 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.159 0.984 . . . . 0.0 113.126 173.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 52.5 mt -142.11 38.05 1.58 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.703 1.201 . . . . 0.0 113.438 -163.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -6.07 -60.45 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 118.816 2.895 . . . . 0.0 118.816 -167.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 2.7 p 24.41 98.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 129.204 3.002 . . . . 0.0 116.089 173.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -9.48 110.41 0.04 OUTLIER Pre-proline 0 CA--C 1.553 1.088 0 C-N-CA 125.465 1.506 . . . . 0.0 114.861 155.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -53.2 -24.5 26.54 Favored 'Trans proline' 0 CA--C 1.547 1.147 0 C-N-CA 122.231 1.954 . . . . 0.0 114.494 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -46.29 -36.09 5.92 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 119.445 -2.034 . . . . 0.0 114.296 166.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -68.24 -27.45 66.36 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 117.549 -1.215 . . . . 0.0 114.214 174.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' PHE . . . . . 0.681 ' CE1' ' HB1' ' B' ' 138' ' ' ALA . 0.3 OUTLIER -60.4 -40.85 92.43 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 121.069 1.759 . . . . 0.0 109.355 166.11 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ARG . . . . . 0.401 ' N ' ' CD1' ' B' ' 103' ' ' PHE . 31.0 ttp85 -71.77 -42.68 66.87 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.876 -0.515 . . . . 0.0 110.509 -168.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 mp -54.67 -46.3 74.04 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.606 166.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.458 HD13 HBB2 ' B' ' 201' ' ' HEC . 0.6 OUTLIER -56.28 -44.43 79.78 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.86 1.209 . . . . 0.0 112.028 176.066 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.64 -60.67 8.49 Favored Glycine 0 CA--C 1.523 0.59 0 C-N-CA 123.002 0.334 . . . . 0.0 113.371 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -56.21 -34.94 66.75 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.741 0.817 . . . . 0.0 112.484 178.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.457 HG21 ' HA ' ' B' ' 31' ' ' LEU . 43.0 t -71.09 -46.71 65.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 121.05 -1.031 . . . . 0.0 111.613 176.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.449 HD23 ' CE2' ' B' ' 71' ' ' PHE . 51.1 tp -58.22 -41.39 83.95 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.816 1.189 . . . . 0.0 111.439 -178.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 m -65.14 -30.55 50.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 121.21 -0.931 . . . . 0.0 111.659 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 29.6 t -71.95 -39.4 69.4 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.146 -0.971 . . . . 0.0 113.339 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -41.99 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 120.381 -1.449 . . . . 0.0 111.834 171.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.8 -39.7 89.89 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.288 0.495 . . . . 0.0 110.728 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.38 -28.94 63.64 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 169.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -79.15 -56.24 4.51 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 120.623 1.556 . . . . 0.0 112.849 171.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.09 -24.92 66.79 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -170.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -134.36 27.67 3.75 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.34 1.456 . . . . 0.0 112.503 -176.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -51.09 -39.88 42.59 Favored Glycine 0 N--CA 1.475 1.253 0 N-CA-C 116.806 1.482 . . . . 0.0 116.806 -168.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -67.52 -13.96 62.52 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -114.87 1.14 13.98 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.984 2.113 . . . . 0.0 111.313 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -94.21 68.04 3.62 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.083 1.353 . . . . 0.0 112.08 -174.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 30.8 p -57.73 156.69 16.99 Favored Pre-proline 0 N--CA 1.474 0.761 0 C-N-CA 124.364 1.065 . . . . 0.0 112.332 -175.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -46.46 -52.64 7.07 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 121.728 1.619 . . . . 0.0 113.226 168.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -64.35 -28.83 63.25 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 CA-C-O 116.673 -1.47 . . . . 0.0 114.231 177.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.5 -42.45 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 122.116 2.234 . . . . 0.0 110.977 174.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.16 -50.0 75.41 Favored 'General case' 0 N--CA 1.461 0.09 0 O-C-N 121.697 -0.627 . . . . 0.0 110.48 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.62 -23.33 66.79 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.65 -49.45 47.31 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.56 ' CE1' HG23 ' B' ' 11' ' ' VAL . 61.3 m-85 -53.81 -48.71 69.61 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.24 166.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -56.34 -36.99 69.37 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.716 1.144 . . . . 0.0 112.371 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -71.88 -43.32 65.62 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.967 1.258 . . . . 0.0 114.345 173.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.56 -45.76 90.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 CA-C-N 120.868 1.667 . . . . 0.0 109.96 173.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 50.2 t -78.65 -29.19 14.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 CA-C-O 117.51 -1.233 . . . . 0.0 112.192 -171.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.82 -36.22 83.64 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 121.121 1.782 . . . . 0.0 112.166 166.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -65.71 -49.44 59.55 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 121.04 -1.038 . . . . 0.0 112.358 168.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -44.23 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.331 1.053 . . . . 0.0 111.572 179.162 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 138' ' ' ALA . . . . . 0.681 ' HB1' ' CE1' ' B' ' 103' ' ' PHE . . . -51.44 -58.6 5.83 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 127.066 2.146 . . . . 0.0 112.091 170.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -57.55 -36.52 71.74 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.225 0.61 . . . . 0.0 112.119 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.36 75.12 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.724 -0.655 . . . . 0.0 112.572 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.78 -38.42 90.94 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 120.952 1.706 . . . . 0.0 111.848 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.91 -11.87 42.76 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.423 1.489 . . . . 0.0 113.896 171.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -57.03 -30.08 63.92 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 120.539 1.518 . . . . 0.0 113.609 -176.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -87.29 5.22 39.48 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 175.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.32 -17.41 4.24 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 126.395 1.878 . . . . 0.0 113.386 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.255 1.369 0 C-N-CA 129.256 3.022 . . . . 0.0 117.613 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.51 2.568 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mp -147.82 175.98 10.5 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 126.654 1.982 . . . . 0.0 111.363 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.64 151.57 71.53 Favored Pre-proline 0 N--CA 1.481 1.082 0 CA-C-N 119.11 0.868 . . . . 0.0 112.123 175.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.37 -42.98 52.28 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 124.046 3.164 . . . . 0.0 114.985 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.37 94.11 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.76 0.424 . . . . 0.0 111.443 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -58.01 -45.46 86.85 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 122.943 0.497 . . . . 0.0 110.807 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -58.99 -51.46 69.99 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.64 0.776 . . . . 0.0 109.888 176.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 58.5 m -57.29 -47.12 82.31 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.15 0.886 . . . . 0.0 112.004 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -61.82 -43.45 98.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.067 0.547 . . . . 0.0 111.539 177.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 37.1 t -63.13 -47.34 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 124.499 1.12 . . . . 0.0 112.283 175.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.79 -44.16 97.17 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.597 1.089 . . . . 0.0 111.142 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.4 -52.42 65.68 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.265 0.626 . . . . 0.0 111.203 174.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.24 -52.37 63.62 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.043 0.937 . . . . 0.0 112.138 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -63.07 -29.11 70.56 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.646 0.779 . . . . 0.0 113.02 177.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.74 -41.83 99.66 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.447 1.022 . . . . 0.0 113.245 169.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.99 -33.11 67.85 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 118.614 1.207 . . . . 0.0 111.805 172.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 97.7 t -60.99 -49.1 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.707 0.803 . . . . 0.0 111.515 174.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.54 -139.68 9.11 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 123.686 0.66 . . . . 0.0 113.869 -177.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.31 -21.35 59.59 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 177.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -67.05 -10.52 50.73 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.35 -47.0 37.4 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.297 1.039 . . . . 0.0 113.586 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.29 -36.05 92.73 Favored Glycine 0 N--CA 1.47 0.922 0 CA-C-O 119.81 -0.439 . . . . 0.0 113.177 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -62.49 -50.48 71.26 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.013 0.925 . . . . 0.0 110.347 172.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -64.16 -37.26 86.83 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 121.867 -0.521 . . . . 0.0 111.976 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.69 -50.43 58.81 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 123.987 0.804 . . . . 0.0 112.779 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.32 -48.08 77.44 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.613 1.206 . . . . 0.0 111.695 175.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -62.57 -37.73 87.31 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 123.843 0.857 . . . . 0.0 112.793 175.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.94 -40.12 87.48 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 119.432 1.015 . . . . 0.0 111.919 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 60.1 mt -64.0 -50.92 66.61 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.015 0.926 . . . . 0.0 110.883 175.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -50.15 73.61 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.861 0.464 . . . . 0.0 110.786 175.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -51.04 -48.61 61.46 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 117.837 -1.078 . . . . 0.0 111.735 173.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -55.75 -40.13 72.13 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.204 0.911 . . . . 0.0 112.901 177.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -66.38 -32.27 73.56 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 120.176 1.353 . . . . 0.0 114.324 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.443 ' H ' ' HG ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -91.1 -35.24 14.71 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 177.37 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 67.8 p -76.74 -34.72 58.08 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.455 1.102 . . . . 0.0 112.364 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.08 66.43 59.49 Favored Pre-proline 0 CA--C 1.54 0.593 0 C-N-CA 125.668 1.587 . . . . 0.0 109.513 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -45.66 -28.52 4.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 124.523 3.482 . . . . 0.0 115.669 -172.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -41.0 -36.35 0.65 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.242 1.417 . . . . 0.0 113.872 170.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 23.9 p -65.69 -26.89 67.98 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.022 -1.674 . . . . 0.0 114.739 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -28.14 69.49 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 120.389 1.45 . . . . 0.0 112.151 168.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -23.17 67.21 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.317 1.047 . . . . 0.0 112.976 176.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -68.51 -7.79 35.46 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 173.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 t80 63.29 58.43 2.05 Favored Pre-proline 0 CA--C 1.558 1.259 0 C-N-CA 124.998 1.319 . . . . 0.0 113.741 -177.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -56.73 169.58 1.73 Allowed 'Trans proline' 0 CA--C 1.546 1.092 0 C-N-CA 123.985 3.123 . . . . 0.0 115.117 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.41 6.26 5.77 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -173.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -81.35 23.12 0.63 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 -172.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.07 -40.09 0.28 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 128.333 2.653 . . . . 0.0 115.709 -173.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 31.6 mt 56.74 18.97 4.04 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.471 2.308 . . . . 0.0 114.832 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 17.0 m -70.29 20.9 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.365 2.266 . . . . 0.0 115.929 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 61.72 141.59 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 128.047 2.539 . . . . 0.0 113.819 -162.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.82 32.75 66.44 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 124.373 0.987 . . . . 0.0 114.677 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 14.0 t -53.22 121.07 6.8 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.511 1.124 . . . . 0.0 113.396 -173.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.75 -22.55 66.65 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.907 0.883 . . . . 0.0 113.076 172.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -79.3 -41.33 28.3 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.598 -0.688 . . . . 0.0 110.6 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 72.4 t -62.75 -43.91 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 121.383 -0.823 . . . . 0.0 111.944 173.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -61.74 -40.85 96.55 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 119.784 1.175 . . . . 0.0 112.273 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.49 -53.24 33.29 Favored Glycine 0 N--CA 1.47 0.944 0 C-N-CA 124.327 0.965 . . . . 0.0 111.563 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -52.37 -46.55 66.22 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.694 0.797 . . . . 0.0 111.426 172.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.99 -46.16 61.34 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.364 0.983 . . . . 0.0 114.292 173.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -37.26 78.13 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 119.184 1.492 . . . . 0.0 112.753 172.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 61' ' ' LYS . . . . . 0.44 ' HB3' HMA3 ' C' ' 201' ' ' HEC . 18.0 mmtt -72.89 -43.03 62.98 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.633 0.773 . . . . 0.0 110.765 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 88.5 t -54.37 -47.28 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.42 1.009 . . . . 0.0 110.73 169.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.06 83.45 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.17 -38.26 88.37 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.014 0.825 . . . . 0.0 112.197 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.63 -38.44 87.66 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.686 -0.634 . . . . 0.0 112.606 170.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -46.3 88.59 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.585 0.754 . . . . 0.0 111.265 170.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 36.1 m -57.29 -44.02 83.69 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.781 1.173 . . . . 0.0 112.104 172.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -60.08 -44.0 95.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.442 1.097 . . . . 0.0 111.324 174.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.43 97.39 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 118.351 -0.833 . . . . 0.0 112.302 172.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.04 -46.52 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 119.969 1.258 . . . . 0.0 111.506 174.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.93 -28.23 69.38 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.366 1.466 . . . . 0.0 113.655 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -129.58 36.3 4.11 Favored 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 125.417 1.487 . . . . 0.0 111.733 -176.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 1.6 p -66.64 -11.96 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 119.985 -1.697 . . . . 0.0 114.732 -171.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -88.65 -9.96 50.27 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 120.407 -1.433 . . . . 0.0 114.088 168.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -140.44 2.28 1.83 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.154 1.782 . . . . 0.0 114.289 -165.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 76' ' ' MET . . . . . . . . . . . . 0.324 0.0 OUTLIER -63.98 -17.15 0.39 Allowed Pre-proline 0 CA--C 1.543 0.708 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 -177.681 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 77' ' ' PRO . . . . . 0.485 ' HA ' HG13 ' C' ' 135' ' ' VAL . 4.0 Cg_exo -38.18 -29.08 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.232 0 C-N-CA 124.96 3.773 . . . . 0.0 118.545 171.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -115.71 -15.93 11.3 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 171.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.94 -17.88 64.01 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.67 -1.269 . . . . 0.0 114.371 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 31.0 mt -100.22 10.21 41.59 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.807 0.843 . . . . 0.0 112.589 171.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 40.3 t -55.62 -41.42 73.46 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.302 1.041 . . . . 0.0 113.184 -178.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.28 -27.19 67.08 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.042 -1.036 . . . . 0.0 113.46 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.7 mt -82.64 -38.76 23.05 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.732 0.813 . . . . 0.0 111.031 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 18.7 t -55.1 -44.95 75.39 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 119.369 -0.348 . . . . 0.0 110.849 162.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -60.99 -50.44 73.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.907 0.883 . . . . 0.0 112.463 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.61 -38.24 80.77 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.312 -0.867 . . . . 0.0 111.993 175.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -67.8 -65.8 0.65 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.585 0.629 . . . . 0.0 109.96 176.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.86 -51.39 57.08 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.394 1.478 . . . . 0.0 112.934 -174.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -73.44 -3.87 30.1 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -174.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -139.52 -44.39 0.45 Allowed 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -172.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.83 -41.97 0.28 Allowed 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 -167.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 48.23 37.71 8.81 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.687 1.595 . . . . 0.0 114.271 165.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 72.1 t -56.05 139.74 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.644 1.177 . . . . 0.0 110.192 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.6 132.83 93.2 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -174.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -39.61 -31.14 0.38 Allowed 'Trans proline' 0 C--N 1.353 0.805 1 C-N-CA 126.257 4.638 . . . . 0.0 117.83 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 53.2 t -44.06 -34.58 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 CA-C-N 121.607 2.003 . . . . 0.0 112.791 171.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 97' ' ' ASN . . . . . 0.607 ' HB3' HMC1 ' C' ' 201' ' ' HEC . 35.3 m-80 -56.94 -36.93 70.81 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 174.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 98' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' C' ' 133' ' ' SER . 0.0 OUTLIER -54.76 -44.49 73.68 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 171.713 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -61.27 -36.79 80.99 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.362 0.665 . . . . 0.0 110.606 -171.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.11 -55.28 19.67 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.383 1.473 . . . . 0.0 109.864 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 101' ' ' LEU . . . . . 0.425 HD23 HMC3 ' C' ' 201' ' ' HEC . 0.1 OUTLIER -59.11 -37.62 77.63 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.77 0.828 . . . . 0.0 111.378 177.045 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 26.6 m -73.37 -37.08 66.16 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.008 1.323 . . . . 0.0 114.222 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -56.41 -46.83 80.01 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 119.091 0.86 . . . . 0.0 110.48 162.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 74.1 m -62.91 -38.64 91.77 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.193 -0.908 . . . . 0.0 112.583 178.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 22.8 mt -57.52 -55.78 30.39 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 124.365 1.066 . . . . 0.0 110.375 168.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 34.4 mt -52.13 -38.63 58.1 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.796 1.18 . . . . 0.0 112.37 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 8.0 t -58.86 -56.51 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 124.237 1.015 . . . . 0.0 112.333 169.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -36.19 81.38 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.417 1.008 . . . . 0.0 111.922 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 6.6 mt -59.5 -59.68 5.06 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 124.112 0.965 . . . . 0.0 108.573 172.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.23 -27.14 20.61 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.798 1.181 . . . . 0.0 114.173 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.96 -29.31 32.24 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -131.7 -18.22 2.78 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -166.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 2.0 tt -105.16 128.47 26.59 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 128.334 2.654 . . . . 0.0 106.672 173.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -69.73 74.26 1.29 Allowed 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.025 2.483 . . . . 0.0 110.828 169.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.12 -15.92 64.01 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.308 1.043 . . . . 0.0 112.554 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 57.09 9.65 0.69 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.963 1.705 . . . . 0.0 113.245 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 8.8 p90 43.79 24.62 0.07 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 128.68 2.792 . . . . 0.0 114.99 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.51 160.34 76.86 Favored Pre-proline 0 N--CA 1.47 0.54 0 C-N-CA 125.048 1.339 . . . . 0.0 111.13 -175.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -59.65 -44.83 28.92 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.732 1.621 . . . . 0.0 112.383 168.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.07 76.67 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 117.961 0.346 . . . . 0.0 110.982 176.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 39.7 t -75.0 -50.68 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 120.624 -1.297 . . . . 0.0 112.444 -177.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -65.81 -41.28 92.05 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 120.668 -1.27 . . . . 0.0 111.454 -176.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.62 -57.74 9.12 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.021 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 92.1 p -55.33 -43.58 75.07 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 117.158 -1.401 . . . . 0.0 112.712 -175.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.5 -49.53 66.26 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 120.658 1.572 . . . . 0.0 111.084 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -59.23 -50.35 74.36 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.43 1.014 . . . . 0.0 112.351 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -28.68 64.42 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 178.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -63.05 -49.17 75.62 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.709 1.14 . . . . 0.0 110.311 169.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.48 -33.35 75.38 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.175 0.898 . . . . 0.0 111.084 177.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.56 86.54 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.638 1.108 . . . . 0.0 113.151 167.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 7.4 t -66.61 -45.26 79.7 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.671 -1.268 . . . . 0.0 112.596 173.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 62.6 t -53.94 -46.0 64.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.041 0.936 . . . . 0.0 109.956 171.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 133' ' ' SER . . . . . 0.432 ' HB2' ' CD1' ' C' ' 98' ' ' PHE . 33.4 t -60.07 -54.75 42.33 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 124.731 1.212 . . . . 0.0 113.69 174.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 21.5 m -50.45 -42.34 54.06 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.444 1.02 . . . . 0.0 110.681 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 135' ' ' VAL . . . . . 0.485 HG13 ' HA ' ' C' ' 77' ' ' PRO . 71.6 t -68.77 -47.24 77.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 118.434 -0.793 . . . . 0.0 112.871 175.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -29.06 65.18 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 120.644 1.566 . . . . 0.0 113.081 174.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 89.2 m -76.73 -15.12 59.86 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 127.993 2.517 . . . . 0.0 113.077 175.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 22.5 m -119.52 157.71 27.78 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.251 1.42 . . . . 0.0 112.77 -173.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.44 -30.41 0.05 Allowed 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -173.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -145.1 120.33 10.19 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 125.761 1.624 . . . . 0.0 109.496 175.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 . . . . . 0 C--O 1.256 1.416 0 C-N-CA 125.549 1.539 . . . . 0.0 113.971 -175.063 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.319 3.5 p . . . . . 0 N--CA 1.514 2.752 0 CA-C-O 116.925 -1.512 . . . . 0.0 112.872 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 22.1 73.39 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 127.695 2.398 . . . . 0.0 115.326 -176.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.07 163.34 12.57 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.694 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.64 151.95 90.96 Favored Pre-proline 0 N--CA 1.481 1.08 0 CA-C-O 118.635 -0.698 . . . . 0.0 109.514 166.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -53.59 -38.22 83.8 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.81 2.34 . . . . 0.0 114.686 173.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -71.68 -43.46 65.94 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.447 -0.783 . . . . 0.0 112.224 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -64.39 -42.92 95.86 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.7 -0.625 . . . . 0.0 111.419 175.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.17 -52.74 60.23 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.685 1.194 . . . . 0.0 110.868 170.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -54.16 -45.94 72.19 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.647 0.658 . . . . 0.0 111.347 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.92 -52.88 63.65 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 11' ' ' VAL . . . . . 0.564 HG23 ' CE1' ' D' ' 130' ' ' TYR . 3.8 p -65.09 -50.26 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 119.785 1.175 . . . . 0.0 112.472 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -70.49 -35.88 73.5 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.107 0.867 . . . . 0.0 112.255 -172.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.47 -37.55 87.93 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.462 1.028 . . . . 0.0 111.928 172.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.99 -39.46 87.14 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.318 -0.864 . . . . 0.0 111.18 172.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -25.85 61.61 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 164.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.73 -38.75 86.02 Favored Glycine 0 CA--C 1.535 1.34 0 O-C-N 121.333 -0.855 . . . . 0.0 113.221 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -89.67 -19.41 24.88 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -53.58 133.61 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.284 1.034 . . . . 0.0 113.131 -169.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -87.07 85.01 7.2 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.891 0.876 . . . . 0.0 108.86 174.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 87.0 t -52.15 -35.62 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 124.33 1.052 . . . . 0.0 113.609 -170.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -44.25 86.33 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.025 1.33 . . . . 0.0 113.018 174.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -95.4 -38.34 10.53 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.691 -0.631 . . . . 0.0 111.455 -167.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -34.84 70.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 O-C-N 121.535 -0.728 . . . . 0.0 110.616 165.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.33 -46.79 67.82 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-O 119.426 -0.652 . . . . 0.0 111.605 174.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.32 -42.79 95.73 Favored Glycine 0 N--CA 1.469 0.873 0 CA-C-N 118.072 0.936 . . . . 0.0 113.726 170.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -64.46 -38.34 90.68 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 123.601 0.76 . . . . 0.0 112.143 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.14 -51.72 35.53 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 119.662 1.119 . . . . 0.0 111.813 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.438 HD21 ' CD2' ' D' ' 63' ' ' HIS . 0.9 OUTLIER -75.43 -22.36 57.44 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -178.589 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.575 ' O ' HG13 ' D' ' 33' ' ' VAL . . . -69.05 -59.11 6.11 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 164.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 30' ' ' ARG . . . . . 0.527 ' HA ' HG22 ' D' ' 33' ' ' VAL . 39.6 mtt180 -53.83 -33.96 57.8 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 120.724 -1.457 . . . . 0.0 112.636 176.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 31' ' ' LEU . . . . . 0.44 ' HA ' HG21 ' D' ' 109' ' ' VAL . 58.9 tp -49.73 -39.69 38.22 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.591 1.156 . . . . 0.0 113.139 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.15 -11.12 8.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 118.719 -0.658 . . . . 0.0 112.264 -168.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 33' ' ' VAL . . . . . 0.575 HG13 ' O ' ' D' ' 29' ' ' GLY . 15.8 m -62.47 -24.91 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 119.536 1.062 . . . . 0.0 111.8 166.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 34' ' ' VAL . . . . . 0.402 HG23 ' H ' ' D' ' 34' ' ' VAL . 0.2 OUTLIER -58.62 1.59 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 173.4 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.74 38.06 0.44 Allowed Pre-proline 0 CA--C 1.559 1.31 0 C-N-CA 126.542 1.937 . . . . 0.0 114.394 -168.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -77.39 178.8 7.19 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.771 2.314 . . . . 0.0 110.72 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 14.1 p90 -50.02 -31.8 13.76 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.972 -1.08 . . . . 0.0 113.006 167.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.05 -25.41 61.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.804 1.242 . . . . 0.0 113.956 174.267 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -27.03 59.01 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.182 0.901 . . . . 0.0 111.17 173.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 5.7 ptt-85 -48.9 -38.96 24.16 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 119.879 1.218 . . . . 0.0 113.832 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.02 0.22 45.83 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.761 1.224 . . . . 0.0 112.044 -174.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.65 -35.06 40.71 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 120.436 -1.415 . . . . 0.0 114.551 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -59.96 -16.37 29.65 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 18.4 t -85.22 -23.22 28.35 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 173.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 45' ' ' PHE . . . . . 0.736 ' HB2' HD11 ' D' ' 48' ' ' LEU . 12.3 m-85 -96.27 -2.5 45.87 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.032 -1.043 . . . . 0.0 113.385 -179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.23 31.26 74.32 Favored Glycine 0 N--CA 1.479 1.516 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 162.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 47' ' ' ASP . . . . . 0.548 ' C ' HD12 ' D' ' 48' ' ' LEU . 0.5 OUTLIER -165.65 -129.56 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 125.818 1.647 . . . . 0.0 108.687 -172.785 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 48' ' ' LEU . . . . . 0.736 HD11 ' HB2' ' D' ' 45' ' ' PHE . 0.3 OUTLIER 63.29 -8.04 0.15 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.865 2.466 . . . . 0.0 116.615 168.36 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 41.0 m -56.97 -18.4 13.41 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.237 1.815 . . . . 0.0 114.447 172.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 1.4 p -141.21 162.74 46.16 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.717 1.607 . . . . 0.0 110.67 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -55.45 -54.8 3.73 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.797 2.332 . . . . 0.0 112.041 172.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.73 -39.15 90.54 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.995 0.918 . . . . 0.0 111.914 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.19 -46.63 79.33 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.182 0.593 . . . . 0.0 110.88 173.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 54' ' ' VAL . . . . . 0.461 HG11 ' CG1' ' D' ' 33' ' ' VAL . 0.3 OUTLIER -70.99 -46.65 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.883 1.219 . . . . 0.0 113.344 -178.754 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 1.7 mtt -70.4 -23.3 62.74 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.751 0.705 . . . . 0.0 112.03 -173.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.54 -11.04 49.0 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 124.973 1.273 . . . . 0.0 115.255 174.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -61.63 120.16 53.73 Favored Pre-proline 0 N--CA 1.474 0.758 0 CA-C-N 119.924 1.862 . . . . 0.0 111.536 -175.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -63.59 -24.95 69.65 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 122.995 2.463 . . . . 0.0 113.497 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -76.15 -46.98 26.01 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.908 1.231 . . . . 0.0 112.909 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -66.36 -34.5 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 CA-C-N 119.315 0.961 . . . . 0.0 112.248 170.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -57.7 -57.44 12.72 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 119.504 1.047 . . . . 0.0 111.398 168.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.97 -50.6 70.36 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.449 1.5 . . . . 0.0 112.843 -178.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 63' ' ' HIS . . . . . 0.438 ' CD2' HD21 ' D' ' 28' ' ' LEU . 0.9 OUTLIER -64.84 -33.93 77.16 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.515 -0.741 . . . . 0.0 111.563 174.829 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.82 -40.59 64.85 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.366 1.46 . . . . 0.0 112.827 168.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.97 -41.11 99.45 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 121.896 -0.767 . . . . 0.0 111.889 172.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -63.87 -52.19 61.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.451 0.701 . . . . 0.0 111.096 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 31.2 m -59.83 -46.82 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.518 0.327 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.31 -38.49 68.7 Favored 'General case' 0 C--O 1.224 -0.247 0 O-C-N 121.118 -0.988 . . . . 0.0 111.736 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.91 -42.57 53.92 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 123.929 0.776 . . . . 0.0 111.677 172.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.94 -47.27 81.16 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 170.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 71' ' ' PHE . . . . . 0.446 ' CE2' HD23 ' D' ' 110' ' ' LEU . 2.3 m-30 -55.53 -37.13 67.53 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 120.333 -1.479 . . . . 0.0 111.599 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 7.0 t -67.56 -42.99 81.74 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.434 1.494 . . . . 0.0 113.181 172.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -56.31 -31.48 63.72 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.026 0.83 . . . . 0.0 111.838 168.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.48 -61.68 6.59 Favored Glycine 0 C--N 1.338 0.666 0 C-N-CA 124.31 0.957 . . . . 0.0 111.041 169.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 mt -54.25 -27.8 37.23 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.91 -27.4 54.9 Favored 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 171.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -142.96 54.99 1.38 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.377 1.871 . . . . 0.0 112.577 -171.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.25 -11.3 59.14 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -59.33 -38.46 80.39 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.777 1.231 . . . . 0.0 113.673 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -153.93 107.79 2.99 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.592 1.557 . . . . 0.0 110.379 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 67.2 mt -83.35 -21.48 33.1 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 173.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -69.55 -7.5 39.02 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 120.539 -1.351 . . . . 0.0 113.731 -174.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -115.7 -46.7 0.55 Allowed Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.888 1.709 . . . . 0.0 113.545 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.2 p -60.61 -26.3 66.89 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 118.644 1.222 . . . . 0.0 113.492 173.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -108.95 -1.96 18.64 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 117.941 -1.028 . . . . 0.0 113.345 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.64 -38.83 67.35 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 120.594 1.543 . . . . 0.0 114.272 -174.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 6.5 p -64.41 -35.43 80.88 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.397 1.079 . . . . 0.0 112.616 172.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 44.7 mt -72.99 -39.67 65.89 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.88 0.872 . . . . 0.0 111.126 173.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 1.5 m -56.1 -48.1 76.81 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 120.797 -1.189 . . . . 0.0 110.964 171.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -62.32 -44.07 97.35 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.984 1.314 . . . . 0.0 112.746 174.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 44.3 tp -58.77 -53.08 62.42 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.304 -0.872 . . . . 0.0 111.784 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -77.27 6.74 6.19 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -177.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 18.8 p -120.28 -76.37 0.58 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.65 0.659 . . . . 0.0 110.942 160.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.69 -22.73 65.58 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -167.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 -28.61 11.81 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.147 0.979 . . . . 0.0 113.211 173.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 50.6 mt -142.34 39.71 1.58 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.753 1.221 . . . . 0.0 113.306 -163.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -7.53 -60.16 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 118.719 2.859 . . . . 0.0 118.719 -167.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 2.5 p 24.34 98.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 129.281 3.033 . . . . 0.0 116.02 173.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -9.71 110.54 0.04 OUTLIER Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 125.48 1.512 . . . . 0.0 114.911 155.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -53.27 -24.41 26.76 Favored 'Trans proline' 0 CA--C 1.547 1.162 0 C-N-CA 122.215 1.943 . . . . 0.0 114.573 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -46.38 -36.13 6.14 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 119.499 -2.0 . . . . 0.0 114.409 166.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -68.15 -27.47 66.46 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 117.53 -1.224 . . . . 0.0 114.185 174.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 103' ' ' PHE . . . . . 0.683 ' CE1' ' HB1' ' D' ' 138' ' ' ALA . 0.3 OUTLIER -60.49 -40.73 92.4 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 121.142 1.792 . . . . 0.0 109.296 166.157 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 104' ' ' ARG . . . . . 0.41 ' N ' ' CD1' ' D' ' 103' ' ' PHE . 31.0 ttp85 -72.02 -42.44 66.38 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.783 -0.573 . . . . 0.0 110.468 -168.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 7.8 mp -54.78 -46.2 74.39 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.318 -0.849 . . . . 0.0 111.531 166.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 106' ' ' LEU . . . . . 0.463 HD13 HBB2 ' D' ' 201' ' ' HEC . 0.6 OUTLIER -56.45 -44.42 80.46 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.955 1.252 . . . . 0.0 111.962 176.121 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.64 -60.87 8.12 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 123.085 0.374 . . . . 0.0 113.227 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -55.83 -35.2 66.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.721 0.808 . . . . 0.0 112.565 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 109' ' ' VAL . . . . . 0.44 HG21 ' HA ' ' D' ' 31' ' ' LEU . 43.1 t -70.95 -46.59 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 121.026 -1.046 . . . . 0.0 111.756 176.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 110' ' ' LEU . . . . . 0.446 HD23 ' CE2' ' D' ' 71' ' ' PHE . 51.4 tp -58.24 -41.49 84.27 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.754 1.161 . . . . 0.0 111.548 -178.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 1.1 m -64.89 -30.58 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 O-C-N 121.089 -1.007 . . . . 0.0 111.859 176.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 29.9 t -72.04 -39.34 69.17 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.132 -0.98 . . . . 0.0 113.222 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.5 -41.88 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 O-C-N 120.22 -1.55 . . . . 0.0 111.899 172.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 25.3 mt -60.98 -39.57 90.12 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.151 0.432 . . . . 0.0 110.685 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.35 -28.99 63.62 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 169.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 32.4 t-80 -79.3 -56.25 4.48 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.646 1.566 . . . . 0.0 112.766 171.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.94 -25.05 66.95 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -170.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -134.21 27.61 3.8 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.433 1.493 . . . . 0.0 112.468 -176.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -51.07 -39.83 42.31 Favored Glycine 0 N--CA 1.476 1.321 0 N-CA-C 116.762 1.465 . . . . 0.0 116.762 -168.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -67.58 -14.05 62.6 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 118.0 0.9 . . . . 0.0 113.187 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -114.84 1.06 13.98 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.048 2.139 . . . . 0.0 111.385 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -94.03 68.42 3.77 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.107 1.363 . . . . 0.0 112.046 -174.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 30.9 p -58.11 156.71 19.13 Favored Pre-proline 0 N--CA 1.473 0.707 0 C-N-CA 124.253 1.021 . . . . 0.0 112.3 -175.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -46.35 -52.69 6.93 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 121.699 1.599 . . . . 0.0 113.353 168.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -64.01 -29.06 66.2 Favored 'Trans proline' 0 C--N 1.354 0.829 0 CA-C-O 116.737 -1.443 . . . . 0.0 114.278 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -42.38 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 122.174 2.261 . . . . 0.0 110.92 174.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -49.81 76.09 Favored 'General case' 0 CA--C 1.527 0.067 0 O-C-N 121.799 -0.563 . . . . 0.0 110.534 177.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.95 -22.92 66.51 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.81 -49.48 45.89 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 130' ' ' TYR . . . . . 0.564 ' CE1' HG23 ' D' ' 11' ' ' VAL . 61.2 m-85 -53.75 -48.81 69.34 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 118.471 -0.776 . . . . 0.0 111.217 166.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -56.25 -37.13 69.34 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.581 1.082 . . . . 0.0 112.314 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -71.75 -43.49 65.69 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.995 1.27 . . . . 0.0 114.35 173.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.42 -45.75 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 CA-C-N 120.806 1.639 . . . . 0.0 109.975 173.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 50.5 t -78.72 -29.16 14.39 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 CA-C-O 117.433 -1.27 . . . . 0.0 112.126 -171.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.25 83.7 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 121.128 1.786 . . . . 0.0 112.169 166.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -65.77 -49.67 57.98 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 121.157 -0.965 . . . . 0.0 112.232 168.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.77 -44.23 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.346 1.058 . . . . 0.0 111.693 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 138' ' ' ALA . . . . . 0.683 ' HB1' ' CE1' ' D' ' 103' ' ' PHE . . . -51.46 -58.66 5.65 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 127.055 2.142 . . . . 0.0 112.003 170.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -57.56 -36.36 71.57 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.167 0.587 . . . . 0.0 112.089 178.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.32 75.1 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.864 -0.588 . . . . 0.0 112.569 173.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.95 -38.41 90.86 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 120.837 1.653 . . . . 0.0 111.828 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.79 -11.87 41.48 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.363 1.465 . . . . 0.0 113.894 170.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -57.09 -29.95 63.92 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 120.533 1.515 . . . . 0.0 113.681 -176.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -87.46 5.33 39.49 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 175.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.35 -17.53 4.2 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.356 1.862 . . . . 0.0 113.376 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.255 1.374 0 C-N-CA 129.253 3.021 . . . . 0.0 117.607 -178.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.573 HMC1 ' HB3' ' A' ' 97' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 201' ' ' HEC . . . . . 0.458 HBB2 HD13 ' B' ' 106' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 201' ' ' HEC . . . . . 0.607 HMC1 ' HB3' ' C' ' 97' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 201' ' ' HEC . . . . . 0.463 HBB2 HD13 ' D' ' 106' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.515 2.781 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -146.83 161.05 41.48 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.041 1.336 . . . . 0.0 111.719 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -71.56 155.65 92.3 Favored Pre-proline 0 N--CA 1.48 1.044 0 C-N-CA 123.968 0.907 . . . . 0.0 112.371 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.0 -40.92 8.31 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 122.89 2.393 . . . . 0.0 114.352 -168.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.14 -38.43 88.94 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.341 0.518 . . . . 0.0 111.959 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -56.81 -49.73 74.49 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.207 0.603 . . . . 0.0 110.958 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -55.5 -44.7 76.82 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.524 0.73 . . . . 0.0 110.827 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.7 m -59.58 -42.66 93.01 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.145 0.578 . . . . 0.0 111.444 177.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -64.78 -38.87 92.45 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.275 0.943 . . . . 0.0 112.094 174.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.35 -49.3 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.693 0.679 . . . . 0.0 111.239 173.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.69 -44.27 96.74 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 118.95 0.796 . . . . 0.0 111.194 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.34 -52.59 64.97 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.447 0.699 . . . . 0.0 111.491 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.98 -55.87 29.6 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.481 0.713 . . . . 0.0 112.146 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.404 ' CZ3' HG11 ' A' ' 17' ' ' VAL . 20.4 t-105 -63.53 -28.82 70.21 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.466 -0.771 . . . . 0.0 112.835 -176.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.83 -43.5 92.27 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.311 0.958 . . . . 0.0 113.526 169.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -73.55 -31.75 63.82 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 118.611 1.205 . . . . 0.0 111.851 174.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.43 HG12 ' HB2' ' A' ' 21' ' ' ALA . 91.3 t -67.51 -21.08 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 125.271 1.428 . . . . 0.0 113.283 176.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.66 139.64 2.51 Favored Glycine 0 CA--C 1.543 1.835 0 C-N-CA 124.866 1.222 . . . . 0.0 114.52 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 61.53 -35.77 0.1 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 128.317 2.647 . . . . 0.0 116.454 -168.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -75.58 -20.37 58.66 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.701 1.137 . . . . 0.0 113.727 174.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' HB2' HG12 ' A' ' 17' ' ' VAL . . . -47.55 -44.98 26.46 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.064 1.746 . . . . 0.0 115.131 -171.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.54 -35.63 91.46 Favored Glycine 0 N--CA 1.471 0.99 0 O-C-N 121.486 -0.759 . . . . 0.0 113.521 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -63.89 -46.87 82.95 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.141 0.976 . . . . 0.0 110.216 174.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -60.31 -39.94 88.76 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.413 0.685 . . . . 0.0 112.317 175.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.94 -48.42 83.71 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-N 118.623 0.647 . . . . 0.0 112.802 172.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.99 -46.11 90.52 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.283 1.042 . . . . 0.0 112.125 177.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.54 -40.01 95.44 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 121.623 -0.673 . . . . 0.0 112.553 173.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.408 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -62.5 -40.06 95.49 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.201 0.91 . . . . 0.0 112.596 178.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.0 mt -65.31 -49.7 68.45 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.458 1.103 . . . . 0.0 111.887 173.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.24 -43.11 99.41 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.622 -0.674 . . . . 0.0 112.522 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -60.42 -46.69 89.13 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.358 -0.839 . . . . 0.0 111.82 172.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.413 ' CE ' HBC2 ' A' ' 201' ' ' HEC . 38.5 ttp -54.36 -48.28 71.65 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.676 1.125 . . . . 0.0 112.133 173.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.96 -52.21 51.85 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.533 1.133 . . . . 0.0 113.009 176.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -86.02 -30.25 22.82 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -173.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.6 m -69.49 -28.27 65.91 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.443 1.019 . . . . 0.0 113.411 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -139.38 76.86 30.57 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 124.415 1.086 . . . . 0.0 109.615 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -48.89 -29.25 14.77 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 124.991 3.794 . . . . 0.0 116.878 -169.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 p -52.83 -35.8 57.74 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.65 1.18 . . . . 0.0 112.91 173.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.6 p -56.93 -27.12 60.59 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 176.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -28.91 66.08 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.682 1.128 . . . . 0.0 112.749 174.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -23.0 56.95 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.522 1.129 . . . . 0.0 113.879 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.32 -38.11 79.46 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.089 0.404 . . . . 0.0 111.839 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 28.0 53.44 0.41 Allowed Pre-proline 0 CA--C 1.559 1.297 0 C-N-CA 128.622 2.769 . . . . 0.0 115.278 172.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.92 -57.49 0.16 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.98 2.453 . . . . 0.0 113.388 -159.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -158.32 27.58 0.25 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.981 1.313 . . . . 0.0 112.72 171.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.7 173.85 11.12 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.788 1.235 . . . . 0.0 113.224 -175.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -141.55 158.54 43.71 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.51 1.524 . . . . 0.0 111.496 -177.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.8 mt -121.41 31.42 6.32 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.123 0.969 . . . . 0.0 112.038 -156.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.5 p -64.35 17.02 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.351 2.66 . . . . 0.0 117.484 -170.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.2 t60 69.98 127.91 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 128.769 2.827 . . . . 0.0 112.965 -172.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.75 20.31 75.76 Favored Glycine 0 CA--C 1.542 1.751 0 O-C-N 121.359 -0.838 . . . . 0.0 114.792 -174.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.1 t -57.29 125.96 25.11 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.048 1.339 . . . . 0.0 113.297 -176.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.86 -34.98 70.33 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.009 0.924 . . . . 0.0 112.696 173.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -71.05 -39.42 72.25 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.793 -0.567 . . . . 0.0 111.783 177.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 84.9 t -64.34 -42.34 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-N 119.043 0.838 . . . . 0.0 111.421 172.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -59.15 -49.18 78.85 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.103 0.961 . . . . 0.0 112.162 174.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.45 -47.0 91.25 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.211 0.91 . . . . 0.0 112.804 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -58.45 -40.6 83.06 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.554 -0.969 . . . . 0.0 111.735 172.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.14 -51.23 51.84 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.479 1.038 . . . . 0.0 113.57 171.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -57.2 -37.65 72.5 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 118.277 1.038 . . . . 0.0 113.104 171.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -69.62 -46.26 66.64 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.317 0.962 . . . . 0.0 112.292 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.2 t -56.27 -46.17 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.378 0.99 . . . . 0.0 110.466 171.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.41 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -59.9 -50.49 73.59 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 176.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -60.21 -40.57 90.58 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.937 0.79 . . . . 0.0 112.073 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.544 ' HB2' HMA1 ' A' ' 201' ' ' HEC . . . -62.92 -36.93 85.01 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 171.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.74 -45.85 84.71 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 118.505 -0.759 . . . . 0.0 111.245 170.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.5 m -55.66 -45.44 77.71 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 120.091 1.314 . . . . 0.0 112.0 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -57.25 -50.11 73.91 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.456 1.502 . . . . 0.0 111.552 172.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.08 -36.65 77.84 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.043 -1.036 . . . . 0.0 113.773 174.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.7 t -67.25 -45.02 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 119.626 1.103 . . . . 0.0 110.847 173.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.09 -26.13 68.69 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.509 1.124 . . . . 0.0 113.471 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -130.58 34.77 4.1 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.184 1.393 . . . . 0.0 112.704 -174.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.2 p -58.98 -8.41 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 120.202 -1.561 . . . . 0.0 115.064 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -107.95 -2.27 19.9 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.634 1.574 . . . . 0.0 114.86 171.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -140.85 1.94 1.72 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.195 1.798 . . . . 0.0 113.877 -174.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.478 ' HA ' ' HB3' ' A' ' 79' ' ' ALA 0.308 0.0 OUTLIER -61.88 -19.54 0.54 Allowed Pre-proline 0 CA--C 1.545 0.782 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 -175.022 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -44.24 -32.7 5.28 Favored 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 123.532 2.821 . . . . 0.0 116.315 165.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -103.09 -34.6 8.82 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 172.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 76' ' ' MET . . . -63.96 -16.48 61.64 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 178.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.8 mt -110.26 17.17 21.19 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.451 1.5 . . . . 0.0 112.646 175.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.1 p -53.76 -43.15 68.95 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.633 1.106 . . . . 0.0 113.851 -175.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.2 -23.96 62.7 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.926 0.89 . . . . 0.0 113.331 173.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mt -95.23 -32.66 12.92 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.082 -1.011 . . . . 0.0 111.546 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.0 t -52.31 -42.91 64.2 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 157.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.63 -39.1 92.78 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.576 -1.328 . . . . 0.0 114.039 171.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.61 -39.18 67.65 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 120.362 1.437 . . . . 0.0 112.315 168.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -87.02 -18.09 31.44 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.32 -35.5 8.39 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -175.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -143.87 -54.91 0.37 Allowed 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -54.18 -40.91 67.98 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 120.859 1.663 . . . . 0.0 113.578 -167.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 mt -136.38 -4.93 2.07 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 171.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 48.63 36.93 8.41 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 126.555 1.942 . . . . 0.0 115.181 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.0 t -47.63 124.47 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 126.151 1.78 . . . . 0.0 113.44 -176.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.58 118.32 49.79 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 124.771 1.228 . . . . 0.0 112.555 176.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -46.91 -35.74 18.79 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 125.024 3.816 . . . . 0.0 116.557 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.0 p -54.22 -34.94 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 120.896 -1.127 . . . . 0.0 112.839 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.481 ' HB3' HMC1 ' A' ' 201' ' ' HEC . 9.3 m-80 -64.08 -33.73 76.43 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.41 -0.806 . . . . 0.0 111.424 178.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 133' ' ' SER . 0.0 OUTLIER -57.61 -45.01 85.88 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 120.839 -1.163 . . . . 0.0 110.41 170.853 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -61.03 -39.93 91.67 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.321 0.648 . . . . 0.0 110.563 -172.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.69 -60.19 3.86 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.45 0.7 . . . . 0.0 110.681 171.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.595 HD23 HMC3 ' A' ' 201' ' ' HEC . 0.2 OUTLIER -57.86 -34.86 70.19 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.964 0.802 . . . . 0.0 112.109 -175.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.3 t -56.55 -53.68 54.73 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.052 1.741 . . . . 0.0 112.629 173.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -60.11 -41.57 92.84 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.416 -0.803 . . . . 0.0 111.482 172.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 75.8 m -66.46 -24.47 66.44 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.3 mt -75.44 -48.19 23.87 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.312 1.045 . . . . 0.0 111.513 169.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 31.4 mt -50.84 -43.87 59.22 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.875 0.761 . . . . 0.0 111.783 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.6 m -66.82 -37.64 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 174.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 22.1 p -74.66 -32.16 62.16 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.745 1.611 . . . . 0.0 112.185 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.71 -51.21 70.73 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 121.719 0.771 . . . . 0.0 108.983 166.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.39 -24.35 67.61 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.67 -10.91 21.51 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 174.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -131.34 -36.11 1.3 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.7 mp -77.64 156.08 80.75 Favored Pre-proline 0 CA--C 1.56 1.343 0 CA-C-N 119.247 0.93 . . . . 0.0 111.53 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -54.41 -35.91 86.05 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 124.043 3.162 . . . . 0.0 116.351 -170.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -146.05 -48.12 0.21 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.553 1.141 . . . . 0.0 111.354 173.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 67.3 -9.1 0.42 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.37 1.468 . . . . 0.0 114.747 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -116.24 6.11 13.78 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -166.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.6 p -56.77 158.33 8.89 Favored Pre-proline 0 N--CA 1.47 0.566 0 C-N-CA 123.405 0.682 . . . . 0.0 111.088 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -50.66 -41.88 52.15 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.584 2.189 . . . . 0.0 113.957 172.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.66 -52.94 54.68 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.127 0.421 . . . . 0.0 111.612 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.5 t -72.58 -48.03 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 121.448 -0.783 . . . . 0.0 112.326 -172.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.05 -41.54 61.61 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.934 1.243 . . . . 0.0 113.065 -175.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.3 88.61 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 120.178 1.354 . . . . 0.0 110.694 174.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.1 t -57.23 -61.24 2.61 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 118.951 -0.547 . . . . 0.0 111.992 174.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.47 -41.42 98.59 Favored 'General case' 0 C--O 1.226 -0.165 0 CA-C-N 119.574 1.079 . . . . 0.0 113.558 -174.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.13 -48.24 80.84 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.82 1.191 . . . . 0.0 111.264 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.412 ' HA ' ' HB3' ' A' ' 130' ' ' ALA 0.316 0.0 OUTLIER -82.99 -17.89 41.82 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -177.964 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -71.98 -46.45 57.29 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.58 1.152 . . . . 0.0 112.071 164.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.64 -33.43 72.78 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.495 -1.378 . . . . 0.0 110.719 170.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 127' ' ' LYS . . . -64.17 -41.7 97.01 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 168.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.2 p -69.33 -42.38 75.43 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 121.658 2.026 . . . . 0.0 112.792 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 75.6 t -53.08 -46.84 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.04 1.336 . . . . 0.0 110.551 167.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.447 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 42.9 t -59.38 -51.07 71.51 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 118.295 -0.86 . . . . 0.0 113.093 171.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 47.8 m -50.91 -36.09 36.54 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 120.321 1.418 . . . . 0.0 112.636 176.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 53.8 t -72.66 -49.31 41.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 121.54 -0.725 . . . . 0.0 112.295 170.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.38 -39.14 69.76 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.002 -1.061 . . . . 0.0 113.543 175.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 72.6 p -86.78 4.96 38.81 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.806 1.642 . . . . 0.0 113.437 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.8 p -65.36 -179.28 0.59 Allowed 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 121.89 0.852 . . . . 0.0 112.681 170.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -139.75 87.77 2.19 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.382 1.473 . . . . 0.0 109.494 178.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 33.72 93.15 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 127.49 2.316 . . . . 0.0 115.509 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 . . . . . 0 C--O 1.254 1.314 0 C-N-CA 127.196 2.199 . . . . 0.0 114.19 -174.165 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.515 2.795 0 CA-C-O 119.357 -0.354 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -132.16 74.3 1.58 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.868 1.267 . . . . 0.0 110.622 -170.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.74 157.62 9.21 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 121.46 -0.775 . . . . 0.0 110.974 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.3 p -63.68 151.96 87.37 Favored Pre-proline 0 N--CA 1.479 0.982 0 CA-C-O 118.493 -0.765 . . . . 0.0 109.301 167.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -54.54 -37.11 90.37 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.367 2.045 . . . . 0.0 114.09 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -70.85 -44.46 66.38 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.262 0.625 . . . . 0.0 112.176 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.37 -38.43 87.56 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.326 -0.859 . . . . 0.0 111.6 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -57.1 -46.35 82.66 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.61 1.096 . . . . 0.0 111.108 172.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.4 t -58.23 -45.75 87.14 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.787 0.721 . . . . 0.0 111.036 173.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.88 -49.68 74.79 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 p -67.88 -50.75 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 119.4 1.0 . . . . 0.0 112.071 173.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.4 m -72.06 -35.77 69.4 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.955 0.798 . . . . 0.0 111.792 -168.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.23 -36.17 74.35 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.777 -1.202 . . . . 0.0 112.313 175.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -69.2 -38.64 78.73 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.21 -0.931 . . . . 0.0 110.649 172.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -55.01 -42.37 72.47 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.67 -0.644 . . . . 0.0 111.773 166.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.37 -26.65 44.95 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 126.558 2.028 . . . . 0.0 116.551 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.73 -3.65 14.93 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 119.5 1.65 . . . . 0.0 114.57 171.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.49 136.4 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 124.147 0.979 . . . . 0.0 111.509 177.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -90.86 87.61 6.72 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 74.9 t -50.84 -38.97 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -165.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -71.7 -37.66 70.64 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 177.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -80.71 -55.41 4.85 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.126 0.57 . . . . 0.0 110.54 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.0 -31.94 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 O-C-N 121.282 -0.886 . . . . 0.0 112.219 175.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.97 -44.02 31.84 Favored Glycine 0 C--N 1.343 0.958 0 CA-C-N 119.47 1.032 . . . . 0.0 111.991 176.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.83 -48.34 79.08 Favored Glycine 0 CA--C 1.525 0.667 0 CA-C-N 117.931 0.866 . . . . 0.0 112.594 169.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.68 -28.55 67.79 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 117.86 -1.067 . . . . 0.0 112.868 174.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.18 -64.21 0.9 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 121.555 1.98 . . . . 0.0 111.131 173.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.1 tp -67.55 -35.1 78.41 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.62 -0.675 . . . . 0.0 111.232 -175.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.446 ' O ' HG13 ' B' ' 33' ' ' VAL . . . -52.65 -59.0 9.75 Favored Glycine 0 C--N 1.336 0.539 0 CA-C-O 118.191 -1.338 . . . . 0.0 111.416 163.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.444 ' HD2' ' HE2' ' B' ' 116' ' ' HIS . 0.5 OUTLIER -49.83 -43.6 48.88 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.751 1.775 . . . . 0.0 112.537 -179.702 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.428 ' HA ' HG21 ' B' ' 109' ' ' VAL . 16.2 tp -51.98 -51.8 54.76 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.973 1.715 . . . . 0.0 110.533 175.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 mp -83.9 -9.04 59.02 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 117.54 -1.219 . . . . 0.0 113.011 -176.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.446 HG13 ' O ' ' B' ' 29' ' ' GLY . 2.0 m -75.32 -26.02 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 CA-C-N 121.215 1.825 . . . . 0.0 114.205 167.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.16 8.07 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 CA-C-N 121.042 1.746 . . . . 0.0 113.657 -176.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 47.96 39.5 0.59 Allowed Pre-proline 0 CA--C 1.559 1.312 0 C-N-CA 126.393 1.877 . . . . 0.0 115.455 -167.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -76.86 160.43 34.01 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.78 1.653 . . . . 0.0 112.228 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 9.6 p90 -54.05 -26.54 27.18 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.552 1.541 . . . . 0.0 113.938 169.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 16.3 p -59.91 -15.98 25.99 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 172.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -52.73 -20.78 3.41 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 166.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -48.08 -29.84 3.93 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 173.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.79 4.83 42.86 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -177.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -54.93 -17.61 3.91 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 -175.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -53.75 -31.62 49.18 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.479 1.112 . . . . 0.0 112.62 172.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.2 m -83.97 -2.16 56.03 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.261 1.424 . . . . 0.0 114.454 173.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -117.85 -27.14 6.28 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.084 1.354 . . . . 0.0 112.846 -169.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.44 -135.52 13.71 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-N 120.283 1.401 . . . . 0.0 113.448 175.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -46.86 95.33 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.14 2.176 . . . . 0.0 114.223 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 tt -147.29 -16.6 0.39 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -173.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -58.53 -12.93 4.52 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 -173.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 35.7 p -136.22 157.01 76.43 Favored Pre-proline 0 N--CA 1.474 0.727 0 C-N-CA 126.438 1.895 . . . . 0.0 111.099 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.76 -41.06 49.23 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.27 2.647 . . . . 0.0 114.828 -172.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.04 -37.33 81.21 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.785 -0.572 . . . . 0.0 112.479 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.18 -53.19 61.11 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.895 0.878 . . . . 0.0 112.476 -175.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -61.87 -27.81 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -175.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 32.6 ttm -84.25 -26.28 28.77 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.32 -31.82 10.24 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.03 0.824 . . . . 0.0 114.201 175.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -39.5 113.91 0.89 Allowed Pre-proline 0 CA--C 1.557 1.247 0 C-N-CA 128.414 2.686 . . . . 0.0 115.149 -176.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.3 -42.0 68.49 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 124.199 3.266 . . . . 0.0 114.778 175.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -65.66 -39.83 91.8 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.965 1.306 . . . . 0.0 111.885 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.34 -42.05 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.702 0.801 . . . . 0.0 111.298 171.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -63.83 -43.42 96.25 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.697 1.135 . . . . 0.0 112.352 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.92 -52.91 61.23 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.451 1.1 . . . . 0.0 112.862 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -63.68 -33.36 75.46 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.832 -1.168 . . . . 0.0 111.788 172.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.49 -49.92 66.15 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.749 1.166 . . . . 0.0 113.553 169.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -55.92 -41.56 74.77 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 118.076 0.938 . . . . 0.0 111.308 169.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -70.78 -48.0 56.59 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 117.968 -1.015 . . . . 0.0 113.575 -177.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 m -58.55 -40.05 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 CA-C-N 120.631 1.559 . . . . 0.0 110.774 172.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 2.8 tt -69.77 -33.2 72.07 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.671 -0.643 . . . . 0.0 112.44 176.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.4 -37.62 82.7 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 125.482 1.515 . . . . 0.0 113.237 167.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.79 -46.67 71.31 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.606 1.203 . . . . 0.0 111.861 170.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.408 ' CD2' HD22 ' B' ' 110' ' ' LEU . 21.5 m-85 -57.41 -38.61 74.61 Favored 'General case' 0 CA--C 1.55 0.965 0 O-C-N 120.876 -1.14 . . . . 0.0 112.528 174.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.5 p -78.44 -36.36 45.63 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -57.48 -36.19 71.17 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.38 0.991 . . . . 0.0 110.928 165.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.94 -60.14 9.23 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-O 119.523 -0.598 . . . . 0.0 111.824 166.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.9 mt -54.1 -27.0 30.2 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 176.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.01 -22.9 25.22 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.496 1.518 . . . . 0.0 114.7 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -140.12 38.04 1.93 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.299 1.44 . . . . 0.0 112.558 -169.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 65.1 mt -54.06 -23.2 12.86 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -174.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -64.1 -25.86 68.29 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.88 1.672 . . . . 0.0 114.828 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -157.26 86.75 0.96 Allowed 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.403 1.001 . . . . 0.0 113.138 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 43.0 mt -73.23 -29.34 62.71 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -69.73 -18.4 63.52 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.796 -1.19 . . . . 0.0 113.638 -176.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -93.85 -43.43 3.87 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.516 1.055 . . . . 0.0 113.299 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 23.2 p -65.27 -31.54 72.74 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 118.606 1.203 . . . . 0.0 112.987 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' PHE . . . . . 0.428 ' CE2' HG22 ' B' ' 137' ' ' VAL . 14.5 m-85 -105.83 12.13 31.13 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -176.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.1 -41.42 64.93 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 121.116 1.78 . . . . 0.0 113.547 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 22.0 p -66.31 -41.47 89.67 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.082 1.353 . . . . 0.0 112.865 173.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 44.2 mt -68.81 -35.69 77.31 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.386 0.675 . . . . 0.0 111.714 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 5.5 t -63.6 -45.83 88.56 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.381 1.072 . . . . 0.0 110.21 172.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -56.96 -48.68 77.78 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.1 -1.0 . . . . 0.0 112.23 171.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 51.1 tp -52.85 -56.15 17.89 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.983 0.811 . . . . 0.0 110.691 175.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -76.32 18.77 0.28 Allowed 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 83.9 m -135.58 -76.13 0.44 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.813 1.245 . . . . 0.0 110.866 171.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.55 -29.75 70.21 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.4 1.48 . . . . 0.0 113.908 -174.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -102.11 -39.77 7.13 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.287 1.035 . . . . 0.0 112.013 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.41 ' C ' ' H ' ' B' ' 98' ' ' VAL . 0.0 OUTLIER -142.49 79.25 1.65 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.667 1.587 . . . . 0.0 110.321 -176.065 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -67.29 30.11 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 125.706 1.602 . . . . 0.0 113.701 172.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' VAL . . . . . 0.41 ' H ' ' C ' ' B' ' 96' ' ' LEU . 77.0 t -41.23 137.34 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 129.261 3.024 . . . . 0.0 111.85 175.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -61.83 141.47 95.27 Favored Pre-proline 0 CA--C 1.553 1.085 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -173.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.71 -28.22 68.64 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.083 2.522 . . . . 0.0 114.696 -169.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -56.92 -37.1 70.98 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.997 -1.064 . . . . 0.0 112.095 173.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -59.01 -37.46 76.93 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 121.514 -0.741 . . . . 0.0 111.982 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -69.24 -45.97 68.46 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.776 0.83 . . . . 0.0 111.151 177.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -59.05 -42.48 90.38 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.709 0.404 . . . . 0.0 111.303 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.8 -43.77 98.19 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.809 0.844 . . . . 0.0 112.844 173.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.6 tt -61.57 -30.88 70.95 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.531 1.514 . . . . 0.0 111.719 170.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' GLY . . . . . 0.442 ' CA ' HG11 ' B' ' 134' ' ' VAL . . . -64.87 -55.47 22.03 Favored Glycine 0 CA--C 1.526 0.739 0 O-C-N 120.274 -1.516 . . . . 0.0 114.517 170.103 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -59.23 -20.99 58.78 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 117.961 0.881 . . . . 0.0 112.342 171.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.428 HG21 ' HA ' ' B' ' 31' ' ' LEU . 10.6 t -65.7 -56.27 15.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 O-C-N 119.849 -1.782 . . . . 0.0 112.107 166.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.408 HD22 ' CD2' ' B' ' 71' ' ' PHE . 58.8 tp -53.02 -51.15 62.62 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 118.934 0.788 . . . . 0.0 111.833 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 m -56.55 -37.17 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.354 -175.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 35.1 m -77.41 -37.8 51.09 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 117.333 -1.318 . . . . 0.0 112.954 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' VAL . . . . . 0.562 ' HA ' ' CD2' ' B' ' 116' ' ' HIS . 6.0 p -60.66 -32.5 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 CA-C-N 121.85 2.114 . . . . 0.0 112.773 174.017 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.425 HD13 ' CE2' ' B' ' 130' ' ' TYR . 28.1 mt -62.42 -40.5 96.77 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.703 -0.623 . . . . 0.0 110.978 171.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 115' ' ' ALA . . . . . 0.409 ' HB2' ' CD2' ' B' ' 122' ' ' PHE . . . -65.34 -35.96 82.56 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 169.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 116' ' ' HIS . . . . . 0.562 ' CD2' ' HA ' ' B' ' 113' ' ' VAL . 6.8 m-70 -66.43 -32.8 74.4 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.012 0.925 . . . . 0.0 112.027 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -91.63 -37.64 12.94 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.627 0.771 . . . . 0.0 112.723 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -121.54 35.66 4.82 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.904 1.282 . . . . 0.0 113.237 -169.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -43.32 -47.23 6.84 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.956 1.741 . . . . 0.0 116.915 -173.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -23.21 67.27 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 118.426 1.113 . . . . 0.0 114.003 178.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -106.04 -3.46 21.58 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.192 1.797 . . . . 0.0 111.966 -177.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' B' ' 115' ' ' ALA . 17.3 t80 -78.75 64.5 3.76 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.014 1.326 . . . . 0.0 111.835 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 61.4 p -59.7 157.28 28.87 Favored Pre-proline 0 N--CA 1.478 0.931 0 C-N-CA 124.981 1.313 . . . . 0.0 112.185 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -43.41 -52.94 4.64 Favored 'Trans proline' 0 CA--C 1.548 1.21 0 C-N-CA 123.326 2.684 . . . . 0.0 115.286 173.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.88 -21.33 33.08 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.737 2.291 . . . . 0.0 115.851 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -57.14 -39.47 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 120.849 1.659 . . . . 0.0 111.401 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -68.53 -45.23 72.76 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 122.715 0.406 . . . . 0.0 111.38 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.87 -39.47 77.88 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.11 0.964 . . . . 0.0 112.738 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.98 -54.45 26.07 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.427 1.091 . . . . 0.0 111.564 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.425 ' CE2' HD13 ' B' ' 114' ' ' LEU . 8.1 m-85 -58.19 -44.62 88.14 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.411 -0.805 . . . . 0.0 111.904 173.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -54.64 -44.57 73.31 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.043 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -63.61 -49.64 72.53 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 120.022 1.283 . . . . 0.0 113.752 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 8.7 p -62.53 -38.75 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 CA-C-N 119.689 1.132 . . . . 0.0 111.926 177.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.442 HG11 ' CA ' ' B' ' 107' ' ' GLY . 60.8 t -67.06 -39.92 84.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 123.572 0.749 . . . . 0.0 112.334 176.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.37 98.08 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.193 0.906 . . . . 0.0 111.87 175.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.03 -45.21 95.57 Favored Glycine 0 CA--C 1.533 1.158 0 O-C-N 121.791 -0.568 . . . . 0.0 112.535 170.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' VAL . . . . . 0.428 HG22 ' CE2' ' B' ' 85' ' ' PHE . 1.9 t -55.07 -52.4 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.875 0.87 . . . . 0.0 111.71 170.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.26 92.03 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.523 1.056 . . . . 0.0 112.058 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -57.44 -50.08 74.18 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.683 0.793 . . . . 0.0 111.501 173.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.93 99.14 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 177.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.22 -25.61 65.3 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.404 -1.435 . . . . 0.0 112.849 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.9 -3.63 58.79 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 171.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -49.16 -37.5 22.54 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -168.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -76.1 -3.71 37.53 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -142.03 2.87 1.56 Allowed 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 176.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.551 0 C-N-CA 126.268 1.827 . . . . 0.0 115.79 -175.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.513 2.717 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -146.78 161.28 40.99 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.978 1.311 . . . . 0.0 111.615 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -71.84 155.68 91.86 Favored Pre-proline 0 N--CA 1.481 1.095 0 C-N-CA 123.964 0.906 . . . . 0.0 112.229 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -67.93 -41.0 8.33 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.886 2.39 . . . . 0.0 114.26 -168.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.31 88.77 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.495 0.589 . . . . 0.0 112.015 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -56.7 -49.75 74.19 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.279 0.632 . . . . 0.0 111.032 176.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -55.61 -44.7 77.28 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.475 0.71 . . . . 0.0 110.848 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 85.3 m -59.46 -42.79 92.82 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.193 0.597 . . . . 0.0 111.487 177.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -64.79 -38.86 92.41 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.14 0.882 . . . . 0.0 112.07 174.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 95.6 t -62.29 -49.43 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 118.698 0.681 . . . . 0.0 111.194 173.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.61 -44.21 96.57 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.988 0.813 . . . . 0.0 111.372 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.34 -52.43 65.65 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.355 0.662 . . . . 0.0 111.503 175.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.19 -55.98 28.06 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.522 0.729 . . . . 0.0 112.038 177.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' TRP . . . . . 0.413 ' CZ3' HG11 ' C' ' 17' ' ' VAL . 20.3 t-105 -63.3 -28.89 70.33 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.47 -0.769 . . . . 0.0 112.899 -176.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.75 -43.63 91.85 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.421 1.01 . . . . 0.0 113.434 169.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -73.69 -31.58 63.51 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 118.576 1.188 . . . . 0.0 111.773 174.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.424 HG12 ' HB2' ' C' ' 21' ' ' ALA . 90.6 t -67.69 -20.95 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.17 1.388 . . . . 0.0 113.327 176.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.6 139.62 2.47 Favored Glycine 0 CA--C 1.542 1.764 0 C-N-CA 124.934 1.254 . . . . 0.0 114.537 175.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 61.57 -35.79 0.11 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 128.308 2.643 . . . . 0.0 116.38 -168.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -75.69 -20.3 58.51 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.632 1.106 . . . . 0.0 113.604 174.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.424 ' HB2' HG12 ' C' ' 17' ' ' VAL . . . -47.45 -45.05 25.45 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.156 1.782 . . . . 0.0 115.095 -171.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.66 -35.56 91.25 Favored Glycine 0 N--CA 1.47 0.95 0 O-C-N 121.438 -0.789 . . . . 0.0 113.561 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -63.85 -46.88 83.0 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.156 0.982 . . . . 0.0 110.308 174.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -60.37 -39.97 89.13 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.481 0.712 . . . . 0.0 112.247 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.82 -48.53 83.34 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 118.694 0.679 . . . . 0.0 112.781 172.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.86 -46.3 89.74 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.187 0.994 . . . . 0.0 112.146 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -62.29 -40.01 94.84 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.581 -0.7 . . . . 0.0 112.64 173.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.423 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -62.77 -39.89 95.61 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.257 0.935 . . . . 0.0 112.408 178.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 56.9 mt -65.49 -49.55 68.61 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.491 1.116 . . . . 0.0 111.865 173.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.35 -43.13 99.39 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.672 -0.643 . . . . 0.0 112.461 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -60.49 -46.66 89.32 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.294 -0.879 . . . . 0.0 111.899 172.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' MET . . . . . 0.412 ' CE ' HBC2 ' C' ' 201' ' ' HEC . 38.3 ttp -54.24 -48.43 71.14 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.687 1.13 . . . . 0.0 112.03 173.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.93 -52.22 51.58 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.489 1.115 . . . . 0.0 112.99 176.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -85.88 -30.31 23.0 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -173.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 70.0 m -69.45 -28.24 65.94 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.428 1.013 . . . . 0.0 113.498 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -139.26 76.77 31.39 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 124.553 1.141 . . . . 0.0 109.684 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -48.91 -29.2 14.72 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 124.976 3.784 . . . . 0.0 116.891 -169.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 3.9 p -52.79 -35.96 57.52 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.67 1.188 . . . . 0.0 112.872 172.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 62.6 p -56.85 -27.06 59.76 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 176.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -28.78 66.28 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.624 1.102 . . . . 0.0 112.736 174.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.44 -23.12 56.63 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.49 1.116 . . . . 0.0 113.896 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.12 -38.27 79.21 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.011 0.368 . . . . 0.0 111.921 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 28.02 53.48 0.42 Allowed Pre-proline 0 CA--C 1.558 1.282 0 C-N-CA 128.669 2.787 . . . . 0.0 115.257 172.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.01 -57.37 0.16 Allowed 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 122.964 2.443 . . . . 0.0 113.389 -159.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -158.42 27.72 0.24 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.999 1.32 . . . . 0.0 112.693 171.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.78 173.78 11.19 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.938 1.295 . . . . 0.0 113.302 -175.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -141.56 158.41 43.88 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.413 1.485 . . . . 0.0 111.47 -177.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 19.3 mt -121.23 31.35 6.39 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.339 1.055 . . . . 0.0 112.081 -156.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 90.7 p -64.44 17.14 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 128.37 2.668 . . . . 0.0 117.438 -170.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 8.2 t60 69.86 127.89 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 128.731 2.812 . . . . 0.0 113.083 -172.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.78 20.4 75.88 Favored Glycine 0 CA--C 1.54 1.65 0 O-C-N 121.437 -0.79 . . . . 0.0 114.739 -174.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 13.9 t -57.4 125.86 24.71 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.296 1.438 . . . . 0.0 113.263 -176.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.81 -34.98 70.23 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.071 0.949 . . . . 0.0 112.666 173.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -71.12 -39.37 72.07 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.641 -0.662 . . . . 0.0 111.846 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.35 -42.33 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 119.043 0.838 . . . . 0.0 111.409 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -59.1 -49.31 78.35 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.149 0.98 . . . . 0.0 112.028 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.37 -47.01 91.35 Favored Glycine 0 N--CA 1.47 0.93 0 C-N-CA 124.211 0.91 . . . . 0.0 112.885 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -58.47 -40.54 82.99 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.492 -1.005 . . . . 0.0 111.755 172.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.24 -51.24 52.12 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.432 1.015 . . . . 0.0 113.609 171.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -57.03 -37.62 72.02 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 118.456 1.128 . . . . 0.0 113.255 171.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -69.68 -46.24 66.53 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.23 0.923 . . . . 0.0 112.312 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 91.1 t -56.21 -46.22 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 119.383 0.992 . . . . 0.0 110.495 171.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 63' ' ' ALA . . . . . 0.416 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -59.97 -50.31 74.25 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 176.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -60.3 -40.54 90.85 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.795 0.725 . . . . 0.0 112.147 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 65' ' ' ALA . . . . . 0.547 ' HB2' HMA1 ' C' ' 201' ' ' HEC . . . -62.81 -36.86 84.57 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 171.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.95 -45.67 84.78 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.498 -0.763 . . . . 0.0 111.268 170.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 28.6 m -55.72 -45.44 77.93 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 120.127 1.33 . . . . 0.0 112.045 173.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -57.37 -50.05 74.2 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.381 1.472 . . . . 0.0 111.5 172.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.76 77.84 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 174.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.24 -44.97 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 119.581 1.082 . . . . 0.0 110.825 173.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.13 -26.07 68.65 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.508 1.123 . . . . 0.0 113.469 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -130.6 34.67 4.11 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.315 1.446 . . . . 0.0 112.71 -174.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 12.1 p -58.95 -8.46 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -107.83 -2.33 20.03 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.607 1.563 . . . . 0.0 114.871 171.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -140.79 1.78 1.72 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.113 1.765 . . . . 0.0 113.926 -174.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 76' ' ' MET . . . . . 0.457 ' HA ' ' HB3' ' C' ' 79' ' ' ALA 0.31 0.0 OUTLIER -61.74 -19.62 0.55 Allowed Pre-proline 0 CA--C 1.545 0.763 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 -174.962 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -44.18 -32.83 5.28 Favored 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 123.502 2.802 . . . . 0.0 116.278 165.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -102.92 -34.55 8.91 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 172.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 79' ' ' ALA . . . . . 0.457 ' HB3' ' HA ' ' C' ' 76' ' ' MET . . . -63.86 -16.62 61.79 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 59.6 mt -110.16 17.05 21.38 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.488 1.515 . . . . 0.0 112.642 175.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 81.4 p -53.69 -43.16 68.72 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.643 1.111 . . . . 0.0 113.865 -175.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.11 -23.94 62.55 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.895 0.878 . . . . 0.0 113.349 173.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mt -95.34 -32.73 12.82 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.074 -1.016 . . . . 0.0 111.411 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 23.0 t -52.24 -42.78 63.91 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 157.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.73 -39.24 93.46 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.612 -1.305 . . . . 0.0 114.009 171.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.42 -39.3 67.21 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 120.341 1.428 . . . . 0.0 112.24 168.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -86.89 -18.09 31.71 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.52 -35.55 8.28 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -143.82 -54.95 0.37 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -54.13 -40.86 67.76 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 120.767 1.621 . . . . 0.0 113.631 -168.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 mt -136.48 -5.01 2.04 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 171.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 48.61 37.08 8.61 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 126.594 1.958 . . . . 0.0 115.161 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 45.0 t -47.68 124.41 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 126.082 1.753 . . . . 0.0 113.447 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.38 118.29 48.92 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 124.748 1.219 . . . . 0.0 112.605 176.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -46.78 -35.82 18.37 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 125.105 3.87 . . . . 0.0 116.628 -176.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 10.8 p -54.32 -34.83 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 O-C-N 120.981 -1.075 . . . . 0.0 112.901 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 97' ' ' ASN . . . . . 0.496 ' HB3' HMC1 ' C' ' 201' ' ' HEC . 9.6 m-80 -64.07 -33.67 76.28 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.423 -0.798 . . . . 0.0 111.44 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 98' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' C' ' 133' ' ' SER . 0.0 OUTLIER -57.72 -44.98 86.36 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 120.969 -1.082 . . . . 0.0 110.482 170.82 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -60.95 -40.0 91.63 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.222 0.609 . . . . 0.0 110.492 -172.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.73 -60.13 3.93 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.365 0.666 . . . . 0.0 110.582 172.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 101' ' ' LEU . . . . . 0.604 HD23 HMC3 ' C' ' 201' ' ' HEC . 0.2 OUTLIER -57.75 -35.06 70.22 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.103 0.865 . . . . 0.0 112.182 -176.06 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 42.0 t -56.54 -53.72 54.2 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.062 1.745 . . . . 0.0 112.523 174.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -60.18 -41.52 93.07 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.432 -0.792 . . . . 0.0 111.516 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 104' ' ' CYS . . . . . 0.423 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 77.6 m -66.49 -24.38 66.4 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 27.1 mt -75.38 -48.46 22.83 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.685 1.13 . . . . 0.0 111.406 169.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 32.8 mt -50.51 -43.87 55.91 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.939 0.79 . . . . 0.0 111.777 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.12 -37.54 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 175.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 22.0 p -74.83 -32.08 61.85 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 120.806 1.639 . . . . 0.0 112.07 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.52 -51.5 69.59 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.233 0.924 . . . . 0.0 109.238 165.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.15 -24.3 67.63 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.73 -10.77 21.29 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 174.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -131.4 -36.16 1.29 Allowed 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.7 mp -77.5 156.1 81.1 Favored Pre-proline 0 CA--C 1.559 1.308 0 CA-C-N 119.353 0.979 . . . . 0.0 111.559 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -54.29 -36.22 86.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 124.065 3.177 . . . . 0.0 116.254 -170.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.81 -48.11 0.21 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.468 1.107 . . . . 0.0 111.361 173.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 67.19 -9.25 0.4 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -116.02 6.17 14.04 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -166.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 3.7 p -56.78 158.38 8.83 Favored Pre-proline 0 N--CA 1.47 0.564 0 C-N-CA 123.278 0.631 . . . . 0.0 111.21 -178.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -50.63 -41.83 52.12 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.668 2.245 . . . . 0.0 113.999 172.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.49 -53.28 50.69 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.213 0.46 . . . . 0.0 111.696 174.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 44.5 t -72.5 -48.02 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 O-C-N 121.469 -0.769 . . . . 0.0 112.369 -172.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -41.72 61.77 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.958 1.254 . . . . 0.0 112.984 -175.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.8 -46.54 87.35 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.382 1.446 . . . . 0.0 110.665 174.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 45.8 t -57.19 -61.1 2.71 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 118.986 -0.53 . . . . 0.0 112.119 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.38 -41.69 98.8 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 119.513 1.051 . . . . 0.0 113.551 -175.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.9 -48.19 80.58 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 119.772 1.169 . . . . 0.0 111.357 177.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 127' ' ' LYS . . . . . 0.428 ' HA ' ' HB3' ' C' ' 130' ' ' ALA 0.32 0.0 OUTLIER -83.08 -18.01 41.13 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.957 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -71.76 -46.61 57.87 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.466 1.106 . . . . 0.0 112.082 164.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.42 -33.51 72.61 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 120.416 -1.427 . . . . 0.0 110.842 170.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 130' ' ' ALA . . . . . 0.428 ' HB3' ' HA ' ' C' ' 127' ' ' LYS . . . -64.17 -41.56 97.07 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 168.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 90.8 p -69.38 -42.56 75.02 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 121.708 2.049 . . . . 0.0 112.743 176.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 75.3 t -53.03 -46.74 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.943 1.297 . . . . 0.0 110.502 167.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 133' ' ' SER . . . . . 0.44 ' HB2' ' CE1' ' C' ' 98' ' ' PHE . 43.1 t -59.52 -51.01 71.69 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 118.146 -0.931 . . . . 0.0 113.106 171.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 47.5 m -50.82 -36.15 35.82 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.457 1.48 . . . . 0.0 112.616 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 54.7 t -72.66 -49.32 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 O-C-N 121.594 -0.691 . . . . 0.0 112.26 170.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.35 -39.11 69.65 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.479 1.036 . . . . 0.0 113.46 175.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 72.8 p -86.8 4.87 39.24 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 125.931 1.692 . . . . 0.0 113.366 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 5.8 p -65.25 -179.36 0.58 Allowed 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 121.961 0.886 . . . . 0.0 112.7 170.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -139.67 87.74 2.2 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.348 1.459 . . . . 0.0 109.551 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 33.79 93.06 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 127.525 2.33 . . . . 0.0 115.49 175.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 . . . . . 0 C--O 1.253 1.275 0 C-N-CA 127.116 2.167 . . . . 0.0 114.223 -174.239 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 1' ' ' VAL . . . . . 0.413 HG11 ' HA ' ' D' ' 133' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.515 2.792 0 CA-C-O 119.34 -0.362 . . . . 0.0 110.714 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -132.14 74.27 1.57 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.884 1.274 . . . . 0.0 110.663 -171.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.76 157.59 9.27 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 121.301 -0.875 . . . . 0.0 111.016 176.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 5.4 p -63.53 151.9 86.96 Favored Pre-proline 0 N--CA 1.479 1.008 0 CA-C-O 118.553 -0.737 . . . . 0.0 109.306 167.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.63 -37.11 91.08 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.369 2.046 . . . . 0.0 114.017 175.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -70.78 -44.61 66.32 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.303 0.641 . . . . 0.0 112.161 177.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -66.28 -38.44 87.79 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.315 -0.866 . . . . 0.0 111.56 174.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -57.0 -46.36 82.33 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.672 1.123 . . . . 0.0 111.279 172.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 21.6 t -58.33 -45.71 87.58 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.651 0.66 . . . . 0.0 110.912 173.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.76 -49.65 74.65 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 6.5 p -67.86 -50.69 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 CA-C-N 119.36 0.982 . . . . 0.0 112.098 173.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 10.0 m -72.11 -36.06 69.34 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.991 0.814 . . . . 0.0 111.788 -168.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.11 -36.14 74.64 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.762 -1.211 . . . . 0.0 112.219 175.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -69.15 -38.74 78.95 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.334 -0.854 . . . . 0.0 110.608 172.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -55.1 -42.17 72.57 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.678 -0.639 . . . . 0.0 111.742 166.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.41 -26.81 45.75 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 126.636 2.065 . . . . 0.0 116.466 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 -3.62 15.05 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 119.56 1.68 . . . . 0.0 114.51 171.098 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.51 136.31 20.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 124.277 1.031 . . . . 0.0 111.41 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -90.78 87.62 6.75 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 74.2 t -50.8 -38.96 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -165.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -71.74 -37.58 70.56 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 177.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -80.8 -55.17 4.99 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.091 0.556 . . . . 0.0 110.589 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.33 -32.01 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 121.169 -0.957 . . . . 0.0 112.077 176.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.96 -43.78 32.81 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-N 119.422 1.01 . . . . 0.0 112.105 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.15 -48.14 82.13 Favored Glycine 0 N--CA 1.466 0.69 0 CA-C-N 118.083 0.942 . . . . 0.0 112.604 168.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.8 -28.67 67.79 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 117.837 -1.078 . . . . 0.0 112.802 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.28 -63.9 0.97 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 121.562 1.983 . . . . 0.0 111.175 173.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 23.1 tp -67.67 -35.21 78.43 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.499 -0.751 . . . . 0.0 111.305 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.445 ' O ' HG13 ' D' ' 33' ' ' VAL . . . -52.52 -58.9 9.93 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-O 118.125 -1.375 . . . . 0.0 111.523 163.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 30' ' ' ARG . . . . . 0.431 ' HD2' ' HE2' ' D' ' 116' ' ' HIS . 0.5 OUTLIER -49.98 -43.53 50.37 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.658 1.729 . . . . 0.0 112.533 -179.624 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 31' ' ' LEU . . . . . 0.433 ' HA ' HG21 ' D' ' 109' ' ' VAL . 16.2 tp -52.02 -51.73 55.48 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.951 1.705 . . . . 0.0 110.559 175.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 mp -83.89 -9.16 58.94 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 117.555 -1.212 . . . . 0.0 113.058 -176.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 33' ' ' VAL . . . . . 0.445 HG13 ' O ' ' D' ' 29' ' ' GLY . 2.0 m -75.2 -26.05 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 121.212 1.824 . . . . 0.0 114.237 167.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.16 8.22 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-N 121.021 1.737 . . . . 0.0 113.752 -176.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 47.66 39.52 0.59 Allowed Pre-proline 0 CA--C 1.559 1.301 0 C-N-CA 126.489 1.916 . . . . 0.0 115.477 -167.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -76.52 160.59 35.03 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.762 1.642 . . . . 0.0 112.241 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 9.5 p90 -54.38 -26.3 29.45 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.726 1.611 . . . . 0.0 113.897 169.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 16.4 p -59.93 -15.94 25.86 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 171.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -52.92 -20.74 3.59 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 166.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -48.11 -29.77 3.92 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 173.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.05 5.14 42.46 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -177.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -55.05 -17.59 4.14 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -175.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -53.71 -31.68 49.03 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.424 1.09 . . . . 0.0 112.617 172.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 74.9 m -83.98 -2.07 55.88 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.224 1.409 . . . . 0.0 114.359 173.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -118.01 -27.04 6.24 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.164 1.386 . . . . 0.0 112.927 -169.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.36 -135.33 13.53 Favored Glycine 0 CA--C 1.534 1.28 0 CA-C-N 120.096 1.316 . . . . 0.0 113.449 175.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -47.12 95.48 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.2 2.2 . . . . 0.0 114.197 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 tt -147.36 -16.73 0.39 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -173.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -58.59 -12.78 4.45 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.675 1.732 . . . . 0.0 115.675 -173.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 35.4 p -136.31 156.83 76.43 Favored Pre-proline 0 N--CA 1.473 0.686 0 C-N-CA 126.484 1.914 . . . . 0.0 111.002 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.66 -41.15 49.49 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.211 2.608 . . . . 0.0 114.888 -172.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.94 -37.24 81.37 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.727 -0.608 . . . . 0.0 112.616 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.34 -53.16 61.42 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.912 0.885 . . . . 0.0 112.347 -175.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -61.9 -27.64 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -175.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 32.5 ttm -84.3 -26.22 28.7 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.48 -31.67 10.21 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 123.892 0.758 . . . . 0.0 114.078 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -39.4 113.83 0.87 Allowed Pre-proline 0 CA--C 1.557 1.25 0 C-N-CA 128.48 2.712 . . . . 0.0 115.173 -177.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.27 -41.95 68.76 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 124.161 3.241 . . . . 0.0 114.781 175.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -65.66 -39.87 91.81 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.008 1.323 . . . . 0.0 111.865 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 69.4 t -64.45 -41.94 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 123.647 0.779 . . . . 0.0 111.288 171.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -63.86 -43.46 96.02 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.78 1.173 . . . . 0.0 112.313 173.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.94 -52.81 61.58 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.433 1.093 . . . . 0.0 112.788 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -63.79 -33.24 75.23 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 120.963 -1.086 . . . . 0.0 111.845 173.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.68 -49.83 67.46 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.712 1.149 . . . . 0.0 113.497 169.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -55.96 -41.37 74.62 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.12 0.96 . . . . 0.0 111.419 169.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -71.11 -47.71 56.53 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 6.5 m -58.49 -40.14 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-N 120.709 1.595 . . . . 0.0 110.696 172.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 2.9 tt -69.86 -33.2 71.94 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.596 -0.69 . . . . 0.0 112.439 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.53 -37.72 83.9 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 125.494 1.521 . . . . 0.0 113.149 167.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.63 -46.72 71.68 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.532 1.166 . . . . 0.0 111.854 170.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 71' ' ' PHE . . . . . 0.407 ' CD2' HD22 ' D' ' 110' ' ' LEU . 21.6 m-85 -57.43 -38.69 74.77 Favored 'General case' 0 CA--C 1.551 0.99 0 O-C-N 121.062 -1.024 . . . . 0.0 112.513 174.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 79.5 p -78.33 -36.54 46.17 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -57.16 -36.38 70.68 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.446 1.021 . . . . 0.0 110.951 165.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.91 -60.15 9.2 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-O 119.52 -0.6 . . . . 0.0 111.832 166.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mt -53.97 -27.21 29.97 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 176.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.75 -23.04 25.61 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.507 1.523 . . . . 0.0 114.725 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -139.93 38.08 1.97 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.381 1.472 . . . . 0.0 112.592 -169.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 65.6 mt -53.99 -23.26 12.67 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -174.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -64.26 -25.73 68.19 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.788 1.635 . . . . 0.0 114.779 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -157.39 86.66 0.95 Allowed 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.493 1.042 . . . . 0.0 113.059 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.25 -29.33 62.69 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -69.64 -18.43 63.59 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 120.927 -1.108 . . . . 0.0 113.743 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -93.78 -43.22 3.95 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 124.575 1.083 . . . . 0.0 113.422 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 22.6 p -65.36 -31.72 72.99 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 118.617 1.209 . . . . 0.0 112.894 175.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 85' ' ' PHE . . . . . 0.427 ' CE2' HG22 ' D' ' 137' ' ' VAL . 14.4 m-85 -105.8 12.25 31.04 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -176.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.12 -41.59 65.18 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 121.243 1.838 . . . . 0.0 113.421 -177.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 22.0 p -66.12 -41.61 90.28 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.15 1.38 . . . . 0.0 112.812 173.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 44.3 mt -68.68 -35.86 77.76 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.564 0.745 . . . . 0.0 111.764 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 5.5 t -63.62 -45.89 88.24 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 124.423 1.089 . . . . 0.0 110.054 172.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -56.98 -48.69 77.82 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.065 -1.022 . . . . 0.0 112.184 171.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 51.4 tp -52.82 -56.12 18.08 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.997 0.817 . . . . 0.0 110.724 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -76.44 18.87 0.28 Allowed 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 84.0 m -135.66 -76.18 0.44 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.771 1.228 . . . . 0.0 110.902 171.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.37 -29.87 70.18 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.416 1.486 . . . . 0.0 113.872 -175.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -102.19 -39.69 7.13 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.071 0.949 . . . . 0.0 111.931 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 96' ' ' LEU . . . . . 0.414 ' C ' ' H ' ' D' ' 98' ' ' VAL . 0.0 OUTLIER -142.31 79.17 1.65 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.795 1.638 . . . . 0.0 110.444 -176.054 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -67.25 30.12 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 125.635 1.574 . . . . 0.0 113.735 172.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 98' ' ' VAL . . . . . 0.414 ' H ' ' C ' ' D' ' 96' ' ' LEU . 77.6 t -41.2 137.27 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 129.295 3.038 . . . . 0.0 111.759 175.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -61.77 141.47 95.15 Favored Pre-proline 0 CA--C 1.554 1.125 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -173.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -63.89 -28.23 67.14 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.003 2.469 . . . . 0.0 114.626 -169.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -56.68 -37.23 70.56 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.058 -1.026 . . . . 0.0 112.058 173.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -59.16 -37.29 76.99 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.47 -0.769 . . . . 0.0 111.824 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -69.29 -45.96 68.35 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.892 0.877 . . . . 0.0 111.241 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -59.13 -42.39 90.53 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.906 0.482 . . . . 0.0 111.266 175.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.79 -43.85 98.02 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.835 0.854 . . . . 0.0 113.052 173.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 2.6 tt -61.28 -31.03 70.85 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.403 1.456 . . . . 0.0 111.757 170.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 107' ' ' GLY . . . . . 0.443 ' CA ' HG11 ' D' ' 134' ' ' VAL . . . -64.96 -55.35 22.53 Favored Glycine 0 CA--C 1.526 0.728 0 O-C-N 120.174 -1.579 . . . . 0.0 114.683 170.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -59.26 -21.18 59.22 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.734 -0.862 . . . . 0.0 112.308 171.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 109' ' ' VAL . . . . . 0.433 HG21 ' HA ' ' D' ' 31' ' ' LEU . 10.9 t -65.68 -56.19 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 O-C-N 119.932 -1.73 . . . . 0.0 112.245 166.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 110' ' ' LEU . . . . . 0.407 HD22 ' CD2' ' D' ' 71' ' ' PHE . 59.4 tp -53.0 -51.15 62.57 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 119.164 0.893 . . . . 0.0 111.542 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 m -56.5 -37.24 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.305 -175.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 35.4 m -77.54 -37.62 50.42 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-O 117.193 -1.384 . . . . 0.0 112.896 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 113' ' ' VAL . . . . . 0.561 ' HA ' ' CD2' ' D' ' 116' ' ' HIS . 6.0 p -60.67 -32.69 52.38 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 CA-C-N 121.89 2.132 . . . . 0.0 112.789 173.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 114' ' ' LEU . . . . . 0.427 HD13 ' CE2' ' D' ' 130' ' ' TYR . 28.0 mt -62.24 -40.57 96.6 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.647 -0.658 . . . . 0.0 110.995 171.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 115' ' ' ALA . . . . . 0.403 ' HB2' ' CD2' ' D' ' 122' ' ' PHE . . . -65.39 -35.85 82.19 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.445 0.905 . . . . 0.0 113.445 169.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 116' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' D' ' 113' ' ' VAL . 6.8 m-70 -66.42 -32.86 74.51 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.081 0.953 . . . . 0.0 111.959 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -91.63 -37.61 12.96 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.719 0.808 . . . . 0.0 112.698 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -121.73 35.81 4.79 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.742 1.217 . . . . 0.0 113.18 -169.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -43.26 -47.55 6.75 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 126.064 1.792 . . . . 0.0 116.813 -173.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -23.22 67.3 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 178.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.13 -3.31 21.61 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.22 1.808 . . . . 0.0 112.106 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 122' ' ' PHE . . . . . 0.403 ' CD2' ' HB2' ' D' ' 115' ' ' ALA . 17.3 t80 -78.86 64.51 3.84 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.13 1.372 . . . . 0.0 111.911 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 60.0 p -59.44 157.38 25.62 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 125.09 1.356 . . . . 0.0 112.126 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -43.87 -52.67 5.22 Favored 'Trans proline' 0 CA--C 1.547 1.17 0 C-N-CA 123.247 2.631 . . . . 0.0 115.225 173.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -69.94 -21.57 32.47 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.794 2.329 . . . . 0.0 115.662 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 1.1 t -56.77 -39.49 64.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 120.997 1.726 . . . . 0.0 111.581 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -68.59 -45.31 72.35 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 122.737 0.415 . . . . 0.0 111.348 176.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.3 77.78 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.002 0.921 . . . . 0.0 112.663 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.13 -54.4 26.01 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.391 1.076 . . . . 0.0 111.566 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 130' ' ' TYR . . . . . 0.427 ' CE2' HD13 ' D' ' 114' ' ' LEU . 8.0 m-85 -58.24 -44.64 88.37 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.487 -0.758 . . . . 0.0 111.837 173.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -54.55 -44.54 72.97 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.563 -0.732 . . . . 0.0 112.157 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -63.59 -49.7 72.34 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.965 1.257 . . . . 0.0 113.711 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 133' ' ' VAL . . . . . 0.413 ' HA ' HG11 ' D' ' 1' ' ' VAL . 8.9 p -62.44 -38.82 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-N 119.667 1.121 . . . . 0.0 111.914 177.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 134' ' ' VAL . . . . . 0.443 HG11 ' CA ' ' D' ' 107' ' ' GLY . 61.6 t -67.13 -39.86 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 123.466 0.706 . . . . 0.0 112.349 176.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.62 -41.36 98.29 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.366 0.985 . . . . 0.0 111.909 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.21 -45.21 95.7 Favored Glycine 0 CA--C 1.533 1.176 0 O-C-N 121.915 -0.491 . . . . 0.0 112.534 170.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 137' ' ' VAL . . . . . 0.427 HG22 ' CE2' ' D' ' 85' ' ' PHE . 1.9 t -54.83 -52.64 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.883 0.873 . . . . 0.0 111.73 170.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.4 91.1 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.577 1.081 . . . . 0.0 112.183 -178.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -57.35 -50.11 74.01 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.71 0.804 . . . . 0.0 111.492 172.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.89 99.09 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 13.9 mt -68.18 -25.6 65.33 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.282 -1.512 . . . . 0.0 112.827 175.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.93 -3.5 58.75 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 171.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -49.34 -37.49 24.73 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -168.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -75.99 -3.71 37.14 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -142.14 3.25 1.56 Allowed 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.259 1.554 0 C-N-CA 126.383 1.873 . . . . 0.0 115.652 -175.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.595 HMC3 HD23 ' A' ' 101' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 201' ' ' HEC . . . . . 0.604 HMC3 HD23 ' C' ' 101' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.509 2.493 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.8 mt -136.19 -179.13 5.49 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.739 1.616 . . . . 0.0 111.276 -173.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -112.47 166.09 11.7 Favored Pre-proline 0 N--CA 1.479 1.008 0 C-N-CA 126.097 1.759 . . . . 0.0 110.54 -172.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -78.62 -42.55 0.2 Allowed 'Trans proline' 0 CA--C 1.538 0.694 0 CA-C-N 121.583 1.601 . . . . 0.0 113.134 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.27 -33.48 75.4 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.05 -43.22 81.77 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.18 0.446 . . . . 0.0 110.964 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -55.95 -48.79 75.12 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.45 1.1 . . . . 0.0 110.954 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -56.83 -44.78 82.39 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.639 0.776 . . . . 0.0 111.437 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -67.89 -39.44 83.64 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.691 0.678 . . . . 0.0 112.482 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.7 t -61.99 -51.61 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.716 0.806 . . . . 0.0 110.654 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -60.44 -42.81 96.86 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.748 0.704 . . . . 0.0 111.179 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.9 -50.25 73.98 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.207 0.603 . . . . 0.0 111.685 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.35 -54.17 44.36 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.549 0.613 . . . . 0.0 111.975 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -63.01 -26.32 68.8 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -176.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.83 -38.56 94.19 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.445 1.022 . . . . 0.0 113.78 168.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.2 mmtt -73.72 -33.07 64.2 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 118.088 0.944 . . . . 0.0 111.673 173.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.437 HG13 ' CD2' ' A' ' 24' ' ' TYR . 99.9 t -68.85 -24.78 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.539 1.536 . . . . 0.0 113.092 176.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.77 125.41 1.75 Allowed Glycine 0 CA--C 1.541 1.69 0 C-N-CA 125.133 1.349 . . . . 0.0 114.13 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 77.33 -38.68 0.29 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 128.997 2.919 . . . . 0.0 114.655 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -74.77 -17.66 60.6 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.152 0.981 . . . . 0.0 113.152 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' HB2' HG12 ' A' ' 17' ' ' VAL . . . -44.85 -49.75 10.69 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.155 2.182 . . . . 0.0 114.754 -172.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.41 -37.44 94.82 Favored Glycine 0 N--CA 1.469 0.865 0 O-C-N 121.957 -0.464 . . . . 0.0 113.594 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -41.94 83.74 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.709 0.804 . . . . 0.0 111.067 175.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.437 ' CD2' HG13 ' A' ' 17' ' ' VAL . 14.8 m-30 -63.91 -39.6 94.55 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.276 0.943 . . . . 0.0 112.233 174.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.39 -59.16 11.35 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 123.708 0.67 . . . . 0.0 111.607 170.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.63 -52.3 40.85 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.466 1.506 . . . . 0.0 112.716 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.16 -38.16 79.06 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.961 1.304 . . . . 0.0 112.398 175.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.28 82.34 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.188 0.904 . . . . 0.0 112.307 177.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 mt -62.61 -47.92 81.67 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.324 0.511 . . . . 0.0 110.286 170.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -46.93 87.46 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.415 0.686 . . . . 0.0 111.131 -177.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -54.81 -50.73 67.84 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.877 1.271 . . . . 0.0 111.397 169.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.504 ' CE ' HBC2 ' A' ' 201' ' ' HEC . 49.8 ttp -57.14 -44.29 83.25 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.513 1.052 . . . . 0.0 112.084 178.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.79 -23.08 65.98 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.7 mt -98.32 -40.97 8.07 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.867 0.867 . . . . 0.0 110.7 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.9 m -77.29 -18.75 57.28 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.881 2.073 . . . . 0.0 113.588 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -140.38 80.54 19.1 Favored Pre-proline 0 CA--C 1.537 0.471 0 C-N-CA 126.003 1.721 . . . . 0.0 108.849 174.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -45.91 -26.53 3.43 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 124.434 3.423 . . . . 0.0 114.36 174.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.607 ' O ' HG22 ' A' ' 41' ' ' THR . 41.7 m -41.16 -29.4 0.12 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.292 2.237 . . . . 0.0 115.991 164.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.8 p -80.99 -25.56 37.19 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 122.908 2.594 . . . . 0.0 113.926 175.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -56.71 -35.05 68.08 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 119.975 1.262 . . . . 0.0 111.753 168.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 38' ' ' THR . 0.6 OUTLIER -62.82 -19.47 64.1 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 175.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.35 0.72 3.58 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.029 -1.045 . . . . 0.0 113.632 171.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.7 t80 59.8 60.29 4.34 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 125.653 1.581 . . . . 0.0 112.373 171.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -59.22 136.96 76.03 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 124.006 3.137 . . . . 0.0 113.307 -167.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -78.16 13.99 1.3 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.796 1.238 . . . . 0.0 113.777 175.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -139.56 151.83 46.39 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.885 1.674 . . . . 0.0 111.406 -173.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -83.05 146.97 28.42 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.294 0.638 . . . . 0.0 111.324 169.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.8 28.34 1.16 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.972 0.909 . . . . 0.0 113.429 -172.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.5 p -62.62 -56.81 14.35 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.247 1.019 . . . . 0.0 112.667 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -163.86 141.08 7.04 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.259 1.824 . . . . 0.0 110.863 172.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.77 25.64 59.19 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 116.44 1.336 . . . . 0.0 116.44 168.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.9 t -55.79 133.42 51.04 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.177 1.391 . . . . 0.0 114.338 -170.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.43 -27.14 65.79 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.197 1.399 . . . . 0.0 113.513 172.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -84.72 -40.49 17.26 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.4 0.68 . . . . 0.0 111.341 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.7 t -65.19 -41.03 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-O 118.639 -0.696 . . . . 0.0 112.095 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -61.47 -40.34 94.19 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 119.908 1.231 . . . . 0.0 112.942 174.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.38 -52.42 31.21 Favored Glycine 0 N--CA 1.472 1.063 0 C-N-CA 124.354 0.978 . . . . 0.0 112.222 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.26 -40.8 74.78 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.039 0.935 . . . . 0.0 111.941 173.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.49 -49.51 68.79 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 124.036 0.826 . . . . 0.0 113.328 172.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -55.49 -41.72 73.44 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.533 1.166 . . . . 0.0 112.262 171.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.401 ' HB3' HMA3 ' A' ' 201' ' ' HEC . 11.2 mmpt? -61.38 -50.88 71.11 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.316 0.962 . . . . 0.0 112.166 175.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.4 t -57.7 -42.45 81.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 CA-C-N 119.326 0.967 . . . . 0.0 110.92 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.416 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -62.7 -47.23 84.55 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 176.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -61.18 -38.38 86.33 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.377 0.99 . . . . 0.0 111.929 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.41 ' HB2' HMA1 ' A' ' 201' ' ' HEC . . . -62.6 -43.0 99.9 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.742 -0.599 . . . . 0.0 112.422 171.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.57 -45.09 92.86 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.302 170.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.0 m -56.11 -45.41 79.48 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.761 1.164 . . . . 0.0 111.722 172.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -27.72 67.13 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 120.344 1.429 . . . . 0.0 112.769 176.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.01 -45.9 69.34 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.244 0.929 . . . . 0.0 111.413 169.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.8 t -59.73 -46.83 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 119.808 1.186 . . . . 0.0 111.368 174.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.81 -26.13 67.92 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.86 1.264 . . . . 0.0 113.949 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -130.66 32.71 4.35 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.858 1.263 . . . . 0.0 111.002 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.7 p -60.78 -20.96 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -164.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.43 6.59 26.39 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 119.752 1.16 . . . . 0.0 113.359 170.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -141.26 29.32 1.81 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 128.031 2.533 . . . . 0.0 110.832 -165.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -112.81 40.07 0.21 Allowed Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 125.243 1.417 . . . . 0.0 114.587 -175.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -64.7 -29.05 60.13 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 CA-C-N 122.935 2.084 . . . . 0.0 113.257 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -130.25 -0.3 4.58 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.86 -16.18 63.7 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.115 -1.615 . . . . 0.0 114.344 -174.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.8 mt -104.1 13.52 32.3 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.966 1.306 . . . . 0.0 111.835 169.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.6 t -57.93 -41.99 83.9 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 119.948 1.249 . . . . 0.0 112.208 -172.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.25 -27.21 44.81 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 172.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.2 mt -87.82 -38.46 15.69 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.427 1.091 . . . . 0.0 110.517 -178.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.7 p -64.61 -33.75 76.67 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 168.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -62.01 -48.11 81.78 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.955 1.302 . . . . 0.0 110.779 170.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.6 tp -53.33 -44.47 68.48 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 121.284 -0.885 . . . . 0.0 112.033 169.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -76.88 18.03 0.38 Allowed 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 125.711 1.604 . . . . 0.0 114.105 175.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.34 -46.08 0.17 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -176.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -59.15 -35.29 73.24 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.61 1.164 . . . . 0.0 111.571 172.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -144.56 -172.05 3.73 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 128.672 2.789 . . . . 0.0 109.114 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 82.3 mt 27.1 73.31 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.077 2.151 . . . . 0.0 114.208 167.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -38.57 -54.62 1.51 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.209 1.403 . . . . 0.0 112.714 -177.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 98.6 t 48.06 71.82 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 122.809 1.29 . . . . 0.0 111.13 176.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -58.7 147.21 71.99 Favored Pre-proline 0 CA--C 1.544 0.743 0 O-C-N 120.725 -1.234 . . . . 0.0 112.313 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.81 -24.52 31.16 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 123.531 2.821 . . . . 0.0 115.197 -168.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 18.1 t -39.53 -52.28 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.996 1.318 . . . . 0.0 112.036 165.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.644 ' HB3' HMC1 ' A' ' 201' ' ' HEC . 3.0 m-80 -57.29 -39.95 76.81 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -40.11 78.98 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.959 178.034 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -61.2 -42.08 97.95 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.551 0.614 . . . . 0.0 110.044 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.42 ' HG ' ' H ' ' A' ' 100' ' ' LEU . 1.8 mt -59.06 -55.96 28.4 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.333 1.053 . . . . 0.0 109.245 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.65 HD23 HMC3 ' A' ' 201' ' ' HEC . 0.1 OUTLIER -59.46 -34.02 72.02 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 122.803 0.441 . . . . 0.0 112.07 176.23 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.8 m -68.79 -39.18 80.28 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.937 -1.102 . . . . 0.0 113.471 176.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -59.4 -44.2 92.87 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.322 -0.861 . . . . 0.0 110.407 167.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 73.2 m -63.11 -32.36 73.73 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 174.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.7 mt -69.99 -48.62 57.45 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.646 1.178 . . . . 0.0 111.728 170.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.0 mt -53.18 -41.71 65.51 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.357 -0.839 . . . . 0.0 110.308 174.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 27.1 t -58.22 -48.58 84.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.033 0.933 . . . . 0.0 113.168 171.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.2 p -67.72 -35.28 78.48 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 120.266 1.394 . . . . 0.0 112.454 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.05 -48.37 82.0 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.59 0.632 . . . . 0.0 110.119 171.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.2 68.9 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.25 -6.63 10.11 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 176.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -139.04 -44.9 0.47 Allowed 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.792 1.178 . . . . 0.0 114.079 -175.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.8 mp -78.0 141.8 63.69 Favored Pre-proline 0 CA--C 1.559 1.297 0 CA-C-O 116.482 -1.723 . . . . 0.0 108.004 169.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -54.14 -122.5 0.0 OUTLIER 'Trans proline' 0 CA--C 1.555 1.547 1 C-N-CA 126.677 4.918 . . . . 0.0 117.446 -177.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.34 54.31 0.05 Allowed 'General case' 0 CA--C 1.543 0.696 0 O-C-N 118.98 -2.325 . . . . 0.0 110.465 159.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.31 -19.7 9.35 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.511 -1.368 . . . . 0.0 112.768 -178.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.76 37.81 1.27 Allowed 'General case' 0 N--CA 1.434 -1.234 0 C-N-CA 126.308 1.843 . . . . 0.0 113.231 176.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 p -53.67 160.03 2.23 Favored Pre-proline 0 N--CA 1.475 0.797 0 O-C-N 120.948 -1.095 . . . . 0.0 110.19 169.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -47.25 -44.94 23.26 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.097 1.865 . . . . 0.0 115.106 169.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.16 -54.33 35.47 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.497 0.59 . . . . 0.0 110.931 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.0 t -76.89 -34.09 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.401 -0.812 . . . . 0.0 112.935 -168.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -73.43 -48.75 31.26 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.971 1.308 . . . . 0.0 112.349 175.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.15 -47.94 79.93 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 118.791 0.723 . . . . 0.0 109.687 173.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.0 t -53.92 -61.81 2.06 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 123.959 0.904 . . . . 0.0 112.51 174.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 59.2 mt -60.66 -42.83 97.82 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.964 1.256 . . . . 0.0 112.049 -175.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.86 -43.21 93.71 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 120.123 1.329 . . . . 0.0 112.175 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -30.12 61.9 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.301 0.955 . . . . 0.0 113.172 177.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -61.46 -58.93 6.19 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 124.718 1.207 . . . . 0.0 109.923 169.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.25 -42.79 70.32 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.506 0.722 . . . . 0.0 110.756 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.57 -42.69 75.07 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.051 1.296 . . . . 0.0 112.664 173.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.7 m -70.4 -32.22 69.77 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 171.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 83.3 t -55.2 -50.3 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 120.237 1.38 . . . . 0.0 108.831 167.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.5 t -58.37 -49.02 78.73 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.103 0.961 . . . . 0.0 113.278 174.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 96.7 m -51.37 -46.01 62.63 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.067 0.849 . . . . 0.0 110.695 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 79.9 t -68.16 -41.67 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 O-C-N 121.47 -0.769 . . . . 0.0 112.194 174.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -6.21 3.32 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 120.395 -1.441 . . . . 0.0 113.15 171.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 61.8 m -116.42 -20.78 9.55 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.995 2.118 . . . . 0.0 112.047 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 50.8 m -148.27 131.61 16.56 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.182 1.393 . . . . 0.0 112.006 -172.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.48 -131.02 0.31 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.038 1.735 . . . . 0.0 110.81 -175.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -52.02 -27.95 15.36 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 174.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? . . . . . 0 C--O 1.253 1.272 0 C-N-CA 127.33 2.252 . . . . 0.0 109.562 166.446 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.289 2.5 p . . . . . 0 N--CA 1.515 2.816 0 CA-C-O 117.498 -1.239 . . . . 0.0 113.209 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 9.19 75.08 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 129.191 2.996 . . . . 0.0 116.263 -172.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.85 154.32 34.01 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.846 -0.534 . . . . 0.0 112.013 -170.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.44 145.74 96.93 Favored Pre-proline 0 N--CA 1.482 1.169 0 CA-C-O 118.133 -0.937 . . . . 0.0 109.76 168.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -52.22 -39.55 71.5 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 123.466 2.777 . . . . 0.0 115.943 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.73 -41.27 79.22 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.026 0.83 . . . . 0.0 111.828 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -67.61 -42.99 81.52 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 118.807 -0.616 . . . . 0.0 111.001 176.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -53.95 -53.85 47.07 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.271 1.029 . . . . 0.0 110.82 168.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.5 t -53.58 -46.11 70.22 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.412 0.551 . . . . 0.0 111.442 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.02 -53.28 60.22 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 175.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -63.71 -49.05 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 119.914 1.234 . . . . 0.0 111.839 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -71.47 -34.68 70.42 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.787 1.176 . . . . 0.0 112.377 -173.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.29 -39.42 85.98 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 120.097 1.317 . . . . 0.0 112.193 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tt -73.04 -26.87 61.45 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.525 -0.734 . . . . 0.0 111.297 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -63.62 -43.18 97.62 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.1 -1.0 . . . . 0.0 111.894 162.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.56 -31.78 45.02 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.726 1.631 . . . . 0.0 115.261 -178.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -96.35 -9.36 30.25 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 174.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.1 142.25 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 124.235 1.014 . . . . 0.0 112.046 -171.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -90.99 76.14 6.25 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.34 1.056 . . . . 0.0 109.852 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 85.3 t -47.83 -40.07 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 -163.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -68.41 -49.2 61.75 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.65 1.114 . . . . 0.0 112.712 173.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.02 -51.25 14.05 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.511 0.724 . . . . 0.0 111.023 -173.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.56 -31.33 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.663 1.185 . . . . 0.0 111.564 176.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.02 -42.87 35.61 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 118.965 0.802 . . . . 0.0 111.668 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.38 -44.48 96.77 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 117.808 0.804 . . . . 0.0 112.774 172.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.4 -48.87 79.9 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 123.494 0.717 . . . . 0.0 111.244 170.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.73 -56.18 25.48 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.755 1.616 . . . . 0.0 112.418 177.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 56.8 tp -67.06 -40.35 87.07 Favored 'General case' 0 C--O 1.225 -0.219 0 O-C-N 121.401 -0.812 . . . . 0.0 111.662 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.28 -50.18 70.59 Favored Glycine 0 C--N 1.333 0.394 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 173.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -52.68 -35.95 56.18 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.991 1.316 . . . . 0.0 113.805 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 18.1 tp -52.58 -41.93 64.06 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.058 1.299 . . . . 0.0 109.816 174.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -88.53 -28.87 20.49 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 117.993 -1.004 . . . . 0.0 111.67 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 4.7 m -56.84 -25.82 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 CA-C-N 121.152 1.796 . . . . 0.0 113.659 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -2.54 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-N 119.416 1.007 . . . . 0.0 113.266 175.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 t80 54.71 35.75 0.3 Allowed Pre-proline 0 CA--C 1.561 1.378 0 C-N-CA 126.221 1.808 . . . . 0.0 115.038 -169.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -78.79 172.85 14.43 Favored 'Trans proline' 0 C--N 1.36 1.132 0 C-N-CA 122.975 2.45 . . . . 0.0 112.008 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 8.3 p90 -56.6 -29.94 62.67 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 172.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.99 -23.92 62.28 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.947 -1.095 . . . . 0.0 113.461 171.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -57.96 -26.83 62.82 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.047 -1.033 . . . . 0.0 112.826 171.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -64.41 -13.57 51.84 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.64 15.16 18.84 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 119.288 0.949 . . . . 0.0 113.432 172.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -53.64 -27.8 29.29 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -176.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -47.92 -37.43 14.29 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.851 1.26 . . . . 0.0 113.757 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 19.3 m -65.52 -21.64 66.63 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 178.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -109.96 -8.76 14.81 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.855 1.662 . . . . 0.0 112.174 175.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.0 -160.75 6.9 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 124.494 1.045 . . . . 0.0 113.79 -171.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 39.02 -122.73 0.32 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.43 1.892 . . . . 0.0 112.737 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 8.7 tt 58.63 -10.38 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.994 2.117 . . . . 0.0 116.6 -177.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 11.9 m -51.32 -19.49 1.31 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.021 1.728 . . . . 0.0 115.597 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 61.3 p -134.24 158.99 74.02 Favored Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 125.564 1.546 . . . . 0.0 111.257 166.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -56.03 -42.53 65.7 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 123.601 2.867 . . . . 0.0 114.712 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.15 -36.6 84.57 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.123 0.569 . . . . 0.0 111.65 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.38 93.78 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.86 -31.99 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 CA-C-N 120.991 1.723 . . . . 0.0 113.431 -175.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 16.3 ptp -92.49 -18.19 23.52 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.18 -31.42 17.05 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 123.792 0.71 . . . . 0.0 114.581 171.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -59.3 125.3 78.54 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 125.268 1.427 . . . . 0.0 113.356 -173.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -64.49 -30.4 61.74 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.786 2.324 . . . . 0.0 113.825 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -69.04 -36.32 77.59 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.479 1.036 . . . . 0.0 112.799 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 76.8 t -65.06 -40.27 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.765 1.226 . . . . 0.0 110.988 166.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -62.46 -45.7 91.84 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 120.151 1.341 . . . . 0.0 111.954 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.07 -50.01 72.27 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.906 1.283 . . . . 0.0 113.412 176.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -62.02 -37.05 83.43 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.991 -1.068 . . . . 0.0 112.06 172.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.63 -48.74 64.21 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 124.733 1.159 . . . . 0.0 112.412 169.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -54.79 -43.55 72.96 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.842 1.657 . . . . 0.0 111.742 172.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -66.32 -55.57 15.34 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.39 1.076 . . . . 0.0 113.397 174.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 4.3 m -60.09 -39.99 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 120.855 1.661 . . . . 0.0 112.108 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.7 tt -69.67 -40.27 76.53 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.631 -0.668 . . . . 0.0 111.013 175.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.38 -36.6 84.63 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.996 1.284 . . . . 0.0 113.796 173.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.81 -49.71 67.29 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.366 1.083 . . . . 0.0 111.908 168.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -54.65 -40.65 69.23 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 174.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 84.4 p -71.17 -34.32 70.85 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 120.81 -1.182 . . . . 0.0 113.473 173.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.36 -28.4 65.08 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.129 0.877 . . . . 0.0 112.034 166.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.81 -63.9 4.85 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 124.169 0.89 . . . . 0.0 111.858 164.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.54 -34.42 36.37 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 118.53 1.165 . . . . 0.0 113.566 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.94 -18.48 58.24 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.22 39.33 1.0 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.274 1.43 . . . . 0.0 112.991 -170.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 70.2 mt -57.14 -21.53 33.32 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.663 -1.273 . . . . 0.0 114.171 -178.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -65.7 -11.49 45.66 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.236 2.214 . . . . 0.0 115.561 174.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -113.94 -60.34 1.9 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.877 1.217 . . . . 0.0 113.804 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 53.23 9.26 0.14 Allowed 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 118.627 2.825 . . . . 0.0 118.627 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -133.34 -61.44 0.82 Allowed 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 120.205 1.366 . . . . 0.0 111.815 171.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.23 -39.92 82.98 Favored Glycine 0 N--CA 1.478 1.493 0 CA-C-N 118.926 0.785 . . . . 0.0 114.64 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.4 t -66.58 -14.95 63.04 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 175.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -122.85 -1.1 8.94 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.811 1.644 . . . . 0.0 114.693 -176.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.91 -33.15 71.48 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 120.906 1.684 . . . . 0.0 114.506 -171.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 19.4 p -64.72 -40.96 96.22 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.189 -0.945 . . . . 0.0 112.009 170.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 18.9 mt -73.45 -39.46 64.94 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-O 118.317 -0.849 . . . . 0.0 112.127 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 83.7 p -64.59 -38.38 90.81 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 120.221 1.373 . . . . 0.0 111.569 175.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -65.32 -44.85 86.52 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.054 0.542 . . . . 0.0 112.167 172.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 51.6 tp -55.49 -56.46 19.98 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.261 -0.899 . . . . 0.0 110.913 171.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -77.0 30.09 0.13 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.124 1.77 . . . . 0.0 113.653 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' CYS . . . . . 0.536 ' SG ' HG21 ' C' ' 41' ' ' THR . 3.8 t -149.85 -80.64 0.12 Allowed 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.848 0.859 . . . . 0.0 108.848 169.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.92 -17.17 49.49 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.762 2.025 . . . . 0.0 115.732 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -112.93 -35.74 5.34 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.267 1.427 . . . . 0.0 112.137 171.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 13.3 mt -133.5 84.95 2.17 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.081 2.152 . . . . 0.0 108.136 -174.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -33.08 61.01 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -173.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 59.8 t 19.52 96.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 129.083 2.953 . . . . 0.0 114.968 160.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -55.12 132.64 68.6 Favored Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -176.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -53.18 -19.81 13.03 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 124.506 3.471 . . . . 0.0 118.094 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -52.65 -33.41 46.85 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 120.73 -1.231 . . . . 0.0 112.017 166.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.92 -38.52 88.74 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.977 -1.077 . . . . 0.0 112.095 172.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -68.43 -42.72 78.48 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.903 0.881 . . . . 0.0 110.595 176.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -57.64 -49.89 74.95 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.726 0.81 . . . . 0.0 110.66 172.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 84.5 mt -57.82 -50.81 72.03 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 118.354 -0.832 . . . . 0.0 112.279 175.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.418 HD13 HBB3 ' B' ' 201' ' ' HEC . 3.6 tt -55.67 -36.05 66.67 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 120.173 1.351 . . . . 0.0 110.909 173.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' GLY . . . . . 0.474 ' CA ' HG11 ' B' ' 134' ' ' VAL . . . -67.33 -54.02 22.36 Favored Glycine 0 CA--C 1.519 0.302 0 O-C-N 120.921 -1.112 . . . . 0.0 114.975 176.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -55.67 -35.2 65.72 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.395 1.097 . . . . 0.0 110.14 171.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 t -65.49 -41.15 90.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-O 117.585 -1.197 . . . . 0.0 113.127 173.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 66.2 tp -58.97 -53.46 58.17 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 121.543 1.974 . . . . 0.0 111.129 176.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.471 HG12 ' HB3' ' B' ' 130' ' ' TYR . 1.3 m -55.44 -37.77 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -171.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 48.7 t -77.02 -27.72 54.68 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -172.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 p -68.68 -38.87 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 O-C-N 119.991 -1.693 . . . . 0.0 110.819 170.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.21 -37.11 81.82 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.713 0.688 . . . . 0.0 110.653 171.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' ALA . . . . . 0.42 ' HB2' ' CE2' ' B' ' 122' ' ' PHE . . . -59.8 -27.14 66.33 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 170.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -75.23 -61.67 1.82 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 120.571 1.532 . . . . 0.0 111.744 167.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -63.64 -24.06 67.64 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -169.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -132.36 24.01 4.45 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.322 1.449 . . . . 0.0 111.999 -174.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -46.02 -41.01 10.39 Favored Glycine 0 N--CA 1.475 1.293 0 C-N-CA 125.688 1.613 . . . . 0.0 116.09 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -63.55 -22.06 66.68 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -105.37 -2.51 23.78 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.383 1.873 . . . . 0.0 112.61 174.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' PHE . . . . . 0.42 ' CE2' ' HB2' ' B' ' 115' ' ' ALA . 6.1 t80 -86.45 58.27 4.96 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.776 -1.202 . . . . 0.0 113.114 -169.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 32.1 p -53.45 157.9 3.22 Favored Pre-proline 0 N--CA 1.481 1.097 0 C-N-CA 126.228 1.811 . . . . 0.0 113.773 -174.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -47.54 -49.9 12.45 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.508 2.139 . . . . 0.0 115.218 170.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.39 -27.0 40.57 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 121.336 1.357 . . . . 0.0 114.418 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.8 -40.01 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 122.091 2.223 . . . . 0.0 111.903 176.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -60.35 -42.15 95.15 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.894 0.77 . . . . 0.0 111.198 176.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.8 -32.07 73.11 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.98 -51.96 53.7 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.472 -0.767 . . . . 0.0 110.398 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.471 ' HB3' HG12 ' B' ' 111' ' ' VAL . 47.6 m-85 -52.03 -48.75 64.4 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.41 0.55 . . . . 0.0 111.276 169.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 15.1 tm0? -54.4 -46.47 73.14 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 118.166 -0.921 . . . . 0.0 112.736 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -63.36 -41.78 98.84 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.792 1.633 . . . . 0.0 113.232 -176.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 1.6 p -73.8 -38.75 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 119.154 0.888 . . . . 0.0 112.215 174.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.474 HG11 ' CA ' ' B' ' 107' ' ' GLY . 88.8 t -72.19 -34.84 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 118.805 0.729 . . . . 0.0 112.453 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.08 93.16 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 120.956 -1.09 . . . . 0.0 111.476 167.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -53.07 -52.98 36.38 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-O 119.69 -0.505 . . . . 0.0 112.349 166.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.0 -42.84 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 118.391 1.096 . . . . 0.0 112.388 175.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.92 -47.69 83.8 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.439 -0.788 . . . . 0.0 111.664 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.3 -31.97 73.38 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.75 -0.594 . . . . 0.0 112.073 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.18 -48.67 64.64 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.733 0.813 . . . . 0.0 111.382 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.12 -34.49 75.05 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.433 -0.792 . . . . 0.0 111.569 173.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.23 -4.29 24.9 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 172.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -57.67 -43.08 84.75 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 121.249 1.84 . . . . 0.0 113.363 -176.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -73.97 2.06 9.51 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.806 1.242 . . . . 0.0 113.664 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.42 -28.52 6.83 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 128.018 2.527 . . . . 0.0 111.891 -176.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 . . . . . 0 C--O 1.257 1.463 0 C-N-CA 128.651 2.78 . . . . 0.0 115.783 -174.852 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.25 5.3 p . . . . . 0 N--CA 1.51 2.55 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 21.1 mt -136.28 -179.21 5.54 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.865 1.666 . . . . 0.0 111.256 -173.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -112.42 165.98 11.91 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 126.104 1.762 . . . . 0.0 110.475 -172.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -78.62 -42.48 0.21 Allowed 'Trans proline' 0 CA--C 1.538 0.71 0 CA-C-N 121.537 1.585 . . . . 0.0 113.107 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.31 -33.44 75.29 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.624 -0.673 . . . . 0.0 112.758 -177.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.05 -43.27 81.83 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 118.204 0.456 . . . . 0.0 110.985 177.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -55.86 -48.78 74.93 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.523 1.129 . . . . 0.0 111.013 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 98.1 m -56.83 -44.83 82.47 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.685 0.794 . . . . 0.0 111.5 177.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -67.99 -39.43 83.25 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.589 -0.694 . . . . 0.0 112.327 177.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 87.8 t -61.97 -51.72 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.713 0.805 . . . . 0.0 110.639 174.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -60.29 -42.96 96.58 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.734 0.697 . . . . 0.0 111.173 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.78 -50.28 73.78 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.206 0.603 . . . . 0.0 111.647 175.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.23 -54.2 44.33 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.541 0.61 . . . . 0.0 112.049 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -63.08 -26.31 68.77 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.207 -0.933 . . . . 0.0 113.294 -175.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.76 -38.69 94.28 Favored Glycine 0 CA--C 1.538 1.511 0 O-C-N 121.022 -1.049 . . . . 0.0 113.778 168.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -73.59 -33.18 64.5 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 118.025 0.913 . . . . 0.0 111.629 173.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.424 HG13 ' CD2' ' C' ' 24' ' ' TYR . 97.6 t -68.9 -24.74 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.539 1.536 . . . . 0.0 113.048 176.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.84 125.59 1.79 Allowed Glycine 0 CA--C 1.542 1.735 0 C-N-CA 125.142 1.353 . . . . 0.0 114.109 175.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 76.91 -38.38 0.3 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 129.004 2.921 . . . . 0.0 114.776 -174.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -74.88 -17.67 60.55 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.213 1.005 . . . . 0.0 113.123 172.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.415 ' HB2' HG12 ' C' ' 17' ' ' VAL . . . -44.77 -49.71 10.5 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.155 2.182 . . . . 0.0 114.724 -172.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.7 -37.22 94.39 Favored Glycine 0 N--CA 1.47 0.923 0 O-C-N 121.856 -0.528 . . . . 0.0 113.541 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -42.16 83.59 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.773 0.829 . . . . 0.0 111.025 175.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 24' ' ' TYR . . . . . 0.424 ' CD2' HG13 ' C' ' 17' ' ' VAL . 14.7 m-30 -63.73 -39.4 94.21 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.309 0.958 . . . . 0.0 112.358 174.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.45 -59.28 11.13 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 123.706 0.67 . . . . 0.0 111.616 170.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.73 -52.21 42.56 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.453 1.501 . . . . 0.0 112.7 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.08 -38.31 79.16 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 124.865 1.266 . . . . 0.0 112.444 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.51 -36.07 81.81 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 119.14 0.882 . . . . 0.0 112.228 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.78 -47.75 82.13 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.423 0.556 . . . . 0.0 110.335 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.85 -46.8 88.13 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.332 0.653 . . . . 0.0 111.152 -177.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -54.57 -50.94 66.77 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 124.896 1.278 . . . . 0.0 111.413 169.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' MET . . . . . 0.508 ' CE ' HBC2 ' C' ' 201' ' ' HEC . 49.7 ttp -57.01 -44.52 82.9 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.397 0.999 . . . . 0.0 112.146 178.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -61.74 -23.33 66.09 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 47.9 mt -97.94 -40.85 8.27 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.81 0.844 . . . . 0.0 110.642 -178.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 54.2 m -77.4 -18.72 57.04 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.919 2.088 . . . . 0.0 113.589 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -140.44 80.45 19.05 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 125.977 1.711 . . . . 0.0 108.806 174.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -45.79 -26.65 3.33 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 124.423 3.415 . . . . 0.0 114.323 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' THR . . . . . 0.611 ' O ' HG22 ' C' ' 41' ' ' THR . 41.4 m -41.08 -29.35 0.11 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.163 2.185 . . . . 0.0 116.001 164.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 70.3 p -81.12 -25.52 36.88 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 122.938 2.608 . . . . 0.0 113.962 175.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -56.75 -34.86 67.98 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 119.948 1.249 . . . . 0.0 111.72 168.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' THR . . . . . 0.611 HG22 ' O ' ' C' ' 38' ' ' THR . 0.6 OUTLIER -62.96 -19.76 64.59 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 175.889 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.19 0.74 3.41 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.034 -1.041 . . . . 0.0 113.728 171.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 2.7 t80 59.96 60.22 4.22 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 125.513 1.525 . . . . 0.0 112.402 171.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -59.24 136.87 75.32 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 124.023 3.149 . . . . 0.0 113.198 -167.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -78.12 14.04 1.28 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.782 1.233 . . . . 0.0 113.741 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -139.54 151.78 46.39 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.855 1.662 . . . . 0.0 111.45 -173.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -83.01 146.85 28.52 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.35 0.66 . . . . 0.0 111.39 169.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.71 28.42 1.16 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.142 0.977 . . . . 0.0 113.532 -172.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 19.1 p -62.76 -56.73 14.93 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.263 1.025 . . . . 0.0 112.67 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -163.87 141.06 7.02 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.404 1.882 . . . . 0.0 110.85 172.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.76 25.69 59.24 Favored Glycine 0 CA--C 1.54 1.641 0 N-CA-C 116.445 1.338 . . . . 0.0 116.445 168.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -55.93 133.53 51.56 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.128 1.371 . . . . 0.0 114.338 -170.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.52 -27.2 65.96 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.266 1.426 . . . . 0.0 113.473 172.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -84.58 -40.75 17.16 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.386 0.674 . . . . 0.0 111.467 176.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.81 -41.18 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 121.5 -0.75 . . . . 0.0 112.113 178.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -61.39 -40.28 93.78 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 119.836 1.198 . . . . 0.0 113.041 174.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.45 -52.36 31.27 Favored Glycine 0 N--CA 1.472 1.077 0 C-N-CA 124.237 0.922 . . . . 0.0 112.284 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -40.81 74.4 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.952 0.901 . . . . 0.0 112.046 173.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.61 -49.47 69.66 Favored Glycine 0 C--N 1.339 0.71 0 C-N-CA 124.093 0.854 . . . . 0.0 113.337 172.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -55.38 -41.66 72.95 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.543 1.172 . . . . 0.0 112.333 171.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 61' ' ' LYS . . . . . 0.407 ' HB3' HMA3 ' C' ' 201' ' ' HEC . 11.2 mmpt? -61.62 -50.75 71.3 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 119.339 0.972 . . . . 0.0 112.115 175.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 95.7 t -57.66 -42.47 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 119.296 0.953 . . . . 0.0 110.889 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 63' ' ' ALA . . . . . 0.401 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -62.87 -47.04 85.07 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 176.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -61.12 -38.47 86.46 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.495 1.043 . . . . 0.0 111.957 175.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.01 99.9 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.798 -0.564 . . . . 0.0 112.35 172.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.44 -45.15 92.39 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.718 -0.658 . . . . 0.0 111.306 170.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 92.0 m -56.2 -45.5 79.81 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.688 1.131 . . . . 0.0 111.742 172.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -27.92 67.55 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 120.308 1.413 . . . . 0.0 112.896 176.144 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.86 -45.81 70.1 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.251 0.932 . . . . 0.0 111.475 169.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.65 -46.83 92.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 CA-C-N 119.775 1.17 . . . . 0.0 111.504 174.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.95 -26.09 67.99 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.82 1.248 . . . . 0.0 113.908 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -130.68 32.64 4.35 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.81 1.244 . . . . 0.0 111.031 -175.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 10.5 p -60.58 -21.08 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 -164.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.33 6.45 26.48 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 119.729 1.15 . . . . 0.0 113.386 170.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -141.2 29.18 1.83 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 128.021 2.528 . . . . 0.0 110.906 -164.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 18.4 ptt? -112.64 40.14 0.21 Allowed Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 125.181 1.392 . . . . 0.0 114.559 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -64.83 -28.97 58.98 Favored 'Trans proline' 0 C--N 1.355 0.888 0 CA-C-N 122.908 2.074 . . . . 0.0 113.287 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -130.2 -0.43 4.6 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.659 1.184 . . . . 0.0 114.06 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.77 -16.15 63.71 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 120.194 -1.566 . . . . 0.0 114.431 -174.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 32.2 mt -104.15 13.69 31.89 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.933 1.293 . . . . 0.0 111.919 169.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 24.1 t -57.92 -42.07 84.04 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.837 1.199 . . . . 0.0 112.328 -172.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.17 -27.14 43.6 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 172.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 mt -87.73 -38.51 15.73 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.33 1.052 . . . . 0.0 110.689 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 22.4 p -64.63 -33.69 76.53 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 168.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -62.08 -48.21 81.24 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.845 1.258 . . . . 0.0 110.664 170.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 14.7 tp -53.14 -44.39 67.7 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 121.371 -0.83 . . . . 0.0 112.147 169.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -76.98 18.19 0.38 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 125.842 1.657 . . . . 0.0 114.165 175.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.7 -46.3 0.16 Allowed 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -58.94 -35.28 72.87 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.611 1.164 . . . . 0.0 111.589 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -144.78 -172.31 3.8 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 128.621 2.768 . . . . 0.0 109.084 176.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 82.3 mt 27.59 73.08 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.994 2.118 . . . . 0.0 114.223 167.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -38.46 -54.81 1.46 Allowed 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.199 1.4 . . . . 0.0 112.585 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 98.5 t 48.14 71.79 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 122.784 1.278 . . . . 0.0 111.143 176.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -58.82 147.22 73.07 Favored Pre-proline 0 CA--C 1.546 0.803 0 O-C-N 120.74 -1.225 . . . . 0.0 112.237 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.79 -24.3 30.19 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 123.575 2.85 . . . . 0.0 115.125 -168.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 18.5 t -40.0 -52.03 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.941 1.296 . . . . 0.0 111.961 165.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 97' ' ' ASN . . . . . 0.645 ' HB3' HMC1 ' C' ' 201' ' ' HEC . 3.1 m-80 -57.2 -40.18 76.9 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -40.09 78.49 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 119.212 -0.423 . . . . 0.0 111.056 178.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -61.15 -42.08 97.91 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.483 0.583 . . . . 0.0 109.995 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.27 -55.49 34.22 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.164 0.985 . . . . 0.0 109.347 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 101' ' ' LEU . . . . . 0.643 HD23 HMC3 ' C' ' 201' ' ' HEC . 0.1 OUTLIER -59.75 -34.0 72.4 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.772 0.429 . . . . 0.0 112.085 176.219 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 73.9 m -68.9 -39.02 79.95 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.587 1.085 . . . . 0.0 113.358 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -59.56 -44.46 93.26 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.204 -0.935 . . . . 0.0 110.346 167.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 68.4 m -62.56 -33.49 75.04 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 174.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 41.8 mt -68.65 -48.4 64.12 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.655 1.116 . . . . 0.0 111.735 171.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 41.7 mt -53.77 -41.25 66.97 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.465 -0.772 . . . . 0.0 110.191 174.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 24.6 t -58.8 -48.58 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.971 0.909 . . . . 0.0 112.917 172.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 2.3 p -67.48 -34.85 78.01 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 120.144 1.338 . . . . 0.0 112.647 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.6 -48.3 82.37 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.555 0.616 . . . . 0.0 110.188 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.79 -33.09 68.18 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.64 -6.48 11.36 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -139.19 -44.84 0.46 Allowed 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -174.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 6.8 mp -78.14 141.99 63.27 Favored Pre-proline 0 CA--C 1.559 1.309 0 CA-C-O 116.697 -1.62 . . . . 0.0 107.874 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -54.22 -122.25 0.0 OUTLIER 'Trans proline' 0 CA--C 1.555 1.53 1 C-N-CA 126.59 4.86 . . . . 0.0 117.342 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.63 54.19 0.06 Allowed 'General case' 0 CA--C 1.544 0.748 0 O-C-N 118.944 -2.348 . . . . 0.0 110.433 160.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.67 -19.26 10.09 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.948 1.299 . . . . 0.0 112.739 -177.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.97 37.3 1.32 Allowed 'General case' 0 N--CA 1.432 -1.362 0 C-N-CA 126.537 1.935 . . . . 0.0 113.29 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 1.1 p -53.21 159.89 1.9 Allowed Pre-proline 0 N--CA 1.477 0.906 0 O-C-N 121.08 -1.013 . . . . 0.0 110.21 169.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -47.3 -44.82 23.66 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.21 1.94 . . . . 0.0 115.13 169.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.34 -54.13 37.81 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.407 0.549 . . . . 0.0 110.889 174.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 14.0 t -77.0 -33.98 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 O-C-N 121.494 -0.754 . . . . 0.0 112.939 -168.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -73.53 -48.88 29.67 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.999 1.319 . . . . 0.0 112.336 175.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.04 -48.7 77.89 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 118.744 0.702 . . . . 0.0 109.798 173.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 15.6 t -52.69 -61.96 1.95 Allowed 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.013 0.925 . . . . 0.0 112.738 173.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 58.6 mt -60.69 -42.95 98.19 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.976 1.262 . . . . 0.0 112.039 -175.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.84 -43.17 93.92 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.832 1.196 . . . . 0.0 112.267 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.31 -30.11 61.92 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.237 -0.914 . . . . 0.0 113.122 177.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -61.6 -58.75 6.86 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 124.643 1.177 . . . . 0.0 110.067 169.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.26 -43.07 70.63 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.482 0.713 . . . . 0.0 110.619 175.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.25 -42.5 73.58 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 120.084 1.311 . . . . 0.0 112.738 173.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 11.2 m -71.03 -31.63 68.16 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 171.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 87.1 t -55.49 -50.03 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 CA-C-N 120.087 1.312 . . . . 0.0 108.835 167.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 33.5 t -58.77 -48.72 80.24 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 123.975 0.91 . . . . 0.0 113.39 174.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 96.1 m -51.42 -46.0 62.79 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.018 0.827 . . . . 0.0 110.7 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 81.1 t -68.11 -41.64 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 O-C-N 121.425 -0.797 . . . . 0.0 112.255 174.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -5.87 3.23 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.448 -1.408 . . . . 0.0 113.049 171.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 61.8 m -116.68 -21.0 9.3 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.093 2.157 . . . . 0.0 111.939 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 52.0 m -148.2 131.68 16.7 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.183 1.393 . . . . 0.0 111.963 -172.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.43 -131.0 0.31 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 126.001 1.72 . . . . 0.0 110.742 -175.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -52.08 -27.89 15.53 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 174.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? . . . . . 0 C--O 1.252 1.207 0 C-N-CA 127.395 2.278 . . . . 0.0 109.442 166.535 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.296 2.5 p . . . . . 0 N--CA 1.517 2.884 0 CA-C-O 117.535 -1.221 . . . . 0.0 113.234 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 9.2 75.13 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 129.212 3.005 . . . . 0.0 116.257 -172.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.06 154.4 34.51 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.769 -0.582 . . . . 0.0 111.877 -170.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.6 145.76 97.14 Favored Pre-proline 0 N--CA 1.482 1.136 0 CA-C-O 118.086 -0.959 . . . . 0.0 109.653 168.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -52.04 -39.65 69.52 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 123.435 2.757 . . . . 0.0 116.005 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.7 -41.4 79.2 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.006 0.821 . . . . 0.0 111.862 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -67.41 -42.85 82.59 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.122 0.569 . . . . 0.0 111.1 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -54.33 -53.38 54.66 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.293 1.037 . . . . 0.0 110.823 168.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 30.1 t -54.14 -45.82 72.07 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.369 0.531 . . . . 0.0 111.276 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.1 -53.47 58.02 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 175.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.62 -49.0 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 CA-C-N 119.906 1.23 . . . . 0.0 111.862 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -71.47 -34.76 70.48 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.792 1.178 . . . . 0.0 112.341 -173.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.48 -38.98 85.21 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 120.014 1.279 . . . . 0.0 112.202 172.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.37 -26.79 61.15 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.573 -0.704 . . . . 0.0 111.276 176.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 9.6 t90 -63.42 -43.6 97.03 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.088 -1.008 . . . . 0.0 111.958 162.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.23 -31.92 42.73 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.699 1.618 . . . . 0.0 115.343 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -96.4 -9.52 29.72 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.482 1.113 . . . . 0.0 113.981 174.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.01 142.3 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.178 0.991 . . . . 0.0 112.012 -171.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -91.02 76.33 6.21 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.344 1.058 . . . . 0.0 109.8 -175.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 85.8 t -47.82 -40.02 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -163.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.6 -49.09 61.97 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.686 1.13 . . . . 0.0 112.639 173.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -74.99 -51.33 13.91 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.507 0.723 . . . . 0.0 111.098 -173.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -31.17 52.58 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 C-N-CA 124.629 1.172 . . . . 0.0 111.62 176.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.08 -42.92 34.98 Favored Glycine 0 C--N 1.341 0.835 0 CA-C-N 118.849 0.75 . . . . 0.0 111.632 176.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.43 -44.49 96.68 Favored Glycine 0 N--CA 1.464 0.551 0 CA-C-N 117.892 0.846 . . . . 0.0 112.738 172.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.5 -48.96 79.5 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 117.656 0.728 . . . . 0.0 111.231 170.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.71 -55.81 30.35 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.834 1.652 . . . . 0.0 112.549 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 57.1 tp -67.22 -39.86 86.31 Favored 'General case' 0 C--O 1.224 -0.258 0 O-C-N 121.349 -0.844 . . . . 0.0 111.685 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.75 -50.32 68.97 Favored Glycine 0 C--N 1.334 0.44 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 173.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -52.42 -36.66 54.84 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.057 1.343 . . . . 0.0 113.814 175.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 18.1 tp -52.0 -42.05 62.68 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.067 1.303 . . . . 0.0 109.854 174.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -88.51 -28.94 20.47 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.762 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 4.7 m -56.74 -25.71 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-N 121.288 1.858 . . . . 0.0 113.814 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -2.35 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 119.274 0.943 . . . . 0.0 113.239 175.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 t80 54.63 35.68 0.3 Allowed Pre-proline 0 CA--C 1.562 1.421 0 C-N-CA 126.294 1.837 . . . . 0.0 115.051 -170.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -78.69 172.89 14.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 122.895 2.396 . . . . 0.0 111.99 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 8.4 p90 -56.47 -30.14 62.57 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 172.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.91 -23.78 61.57 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 120.916 -1.115 . . . . 0.0 113.418 171.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -58.18 -26.64 63.02 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.452 1.023 . . . . 0.0 112.781 171.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -64.43 -13.71 52.85 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.817 -1.177 . . . . 0.0 114.152 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.59 15.2 18.64 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 119.345 0.975 . . . . 0.0 113.404 172.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -53.47 -28.05 28.43 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -47.83 -37.46 13.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.721 1.208 . . . . 0.0 113.786 177.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 19.4 m -65.37 -21.82 66.73 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -109.82 -8.88 14.84 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.866 1.666 . . . . 0.0 112.14 175.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.17 -160.84 7.1 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.468 1.032 . . . . 0.0 113.721 -171.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 39.08 -122.71 0.32 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.393 1.877 . . . . 0.0 112.809 -176.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 8.8 tt 58.76 -10.57 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.917 2.087 . . . . 0.0 116.585 -177.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 11.7 m -51.23 -19.52 1.25 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 61.6 p -134.2 158.94 74.15 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 125.6 1.56 . . . . 0.0 111.237 166.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -56.01 -42.52 65.86 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 123.677 2.918 . . . . 0.0 114.729 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.06 -36.79 85.17 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.074 0.549 . . . . 0.0 111.652 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.54 93.42 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -176.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.84 -32.11 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 120.861 1.664 . . . . 0.0 113.387 -175.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 16.3 ptp -92.33 -18.09 23.82 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.24 -31.46 16.78 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 123.919 0.771 . . . . 0.0 114.546 171.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -59.34 125.37 78.86 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 125.235 1.414 . . . . 0.0 113.243 -173.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -64.58 -30.31 60.96 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.755 2.303 . . . . 0.0 113.884 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -68.94 -36.55 78.09 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.449 1.022 . . . . 0.0 112.808 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 76.4 t -65.03 -40.17 88.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.736 1.215 . . . . 0.0 111.143 166.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -62.26 -45.81 91.63 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 120.198 1.363 . . . . 0.0 112.052 173.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.01 -50.17 71.76 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.888 1.275 . . . . 0.0 113.42 176.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -62.05 -36.92 83.07 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.908 -1.12 . . . . 0.0 112.031 172.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.65 -48.77 64.11 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.814 1.197 . . . . 0.0 112.396 169.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -54.87 -43.35 73.06 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.752 1.621 . . . . 0.0 111.756 172.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -66.47 -55.5 15.35 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.38 1.072 . . . . 0.0 113.457 174.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 4.3 m -60.18 -39.97 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 120.855 1.661 . . . . 0.0 112.03 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.7 tt -69.68 -40.0 76.65 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.453 -0.779 . . . . 0.0 111.109 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.88 -36.24 86.51 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.932 1.253 . . . . 0.0 113.821 173.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.81 -49.78 67.02 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.427 1.113 . . . . 0.0 111.828 168.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -54.71 -40.65 69.41 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 174.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 85.3 p -71.07 -34.68 71.42 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.761 -1.212 . . . . 0.0 113.423 173.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.89 -28.47 64.24 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.331 0.968 . . . . 0.0 112.151 166.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.85 -64.06 4.7 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 124.13 0.872 . . . . 0.0 111.844 164.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.34 -34.46 33.87 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 118.667 1.234 . . . . 0.0 113.581 177.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.04 -18.44 58.11 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.22 39.41 1.0 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.289 1.435 . . . . 0.0 112.986 -170.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 70.7 mt -57.24 -21.58 35.1 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.677 -1.264 . . . . 0.0 114.138 -178.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -65.6 -11.43 44.28 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.241 2.216 . . . . 0.0 115.667 174.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -113.99 -60.29 1.9 Allowed 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.793 1.179 . . . . 0.0 113.837 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 53.25 9.27 0.14 Allowed 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -133.37 -61.34 0.82 Allowed 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 120.221 1.373 . . . . 0.0 111.883 171.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.25 -40.09 83.62 Favored Glycine 0 N--CA 1.479 1.561 0 CA-C-N 119.019 0.827 . . . . 0.0 114.526 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.4 t -66.26 -15.17 62.98 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 175.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -122.85 -0.96 8.96 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.686 1.594 . . . . 0.0 114.687 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.02 -33.17 71.64 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 120.75 1.614 . . . . 0.0 114.468 -171.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 19.1 p -64.65 -41.21 96.28 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.194 -0.941 . . . . 0.0 111.88 170.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.4 -39.32 65.16 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-O 118.216 -0.897 . . . . 0.0 112.096 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -64.64 -38.38 90.8 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 120.304 1.411 . . . . 0.0 111.596 175.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -65.24 -45.03 86.29 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.777 -0.577 . . . . 0.0 112.062 172.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 51.7 tp -55.4 -56.32 21.5 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.237 -0.914 . . . . 0.0 111.009 171.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -77.26 30.13 0.14 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.108 1.763 . . . . 0.0 113.505 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 93' ' ' CYS . . . . . 0.543 ' SG ' HG21 ' A' ' 41' ' ' THR . 3.8 t -149.82 -80.78 0.12 Allowed 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 123.897 0.879 . . . . 0.0 108.877 169.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.71 -17.32 47.51 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.825 2.05 . . . . 0.0 115.73 -174.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -112.85 -35.67 5.39 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.206 1.403 . . . . 0.0 112.171 171.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 13.2 mt -133.5 85.08 2.18 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.049 2.14 . . . . 0.0 108.101 -174.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.73 -33.19 60.79 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -173.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 59.8 t 19.54 96.17 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 128.999 2.919 . . . . 0.0 115.078 160.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -54.97 132.65 67.62 Favored Pre-proline 0 CA--C 1.551 0.985 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -176.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.1 -19.81 12.66 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 124.475 3.45 . . . . 0.0 118.093 -178.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -52.7 -33.53 48.02 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.821 1.191 . . . . 0.0 112.046 166.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.78 -38.66 88.87 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.01 -1.056 . . . . 0.0 112.086 173.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -68.49 -42.68 78.27 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.793 0.837 . . . . 0.0 110.551 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -57.7 -49.67 75.75 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.779 172.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 84.5 mt -57.85 -51.02 71.34 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 118.36 -0.829 . . . . 0.0 112.142 175.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 106' ' ' LEU . . . . . 0.41 HD13 HBB3 ' D' ' 201' ' ' HEC . 3.6 tt -55.61 -36.04 66.52 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.193 1.36 . . . . 0.0 110.84 173.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 107' ' ' GLY . . . . . 0.474 ' CA ' HG11 ' D' ' 134' ' ' VAL . . . -67.2 -54.15 22.17 Favored Glycine 0 CA--C 1.519 0.294 0 O-C-N 120.998 -1.064 . . . . 0.0 114.984 176.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -55.59 -35.16 65.51 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.478 1.139 . . . . 0.0 110.279 171.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 30.5 t -65.51 -41.36 90.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-O 117.818 -1.087 . . . . 0.0 113.077 173.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.77 -53.34 59.52 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 121.303 1.865 . . . . 0.0 111.137 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 111' ' ' VAL . . . . . 0.463 HG12 ' HB3' ' D' ' 130' ' ' TYR . 1.3 m -55.5 -37.71 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-O 121.1 0.476 . . . . 0.0 112.252 -171.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 49.6 t -77.01 -27.59 54.71 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -172.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 p -68.82 -39.1 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 120.018 -1.677 . . . . 0.0 110.723 170.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.2 -36.79 80.85 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.58 0.627 . . . . 0.0 110.761 171.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 115' ' ' ALA . . . . . 0.413 ' HB2' ' CE2' ' D' ' 122' ' ' PHE . . . -59.99 -26.78 66.32 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 170.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -75.28 -61.69 1.81 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 120.594 1.543 . . . . 0.0 111.845 167.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -63.6 -24.1 67.66 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -169.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -132.29 23.99 4.47 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.403 1.481 . . . . 0.0 112.107 -174.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -46.16 -40.97 10.8 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 125.843 1.687 . . . . 0.0 116.037 -173.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -63.54 -21.93 66.61 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -105.62 -2.46 23.42 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.342 1.857 . . . . 0.0 112.72 174.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 122' ' ' PHE . . . . . 0.413 ' CE2' ' HB2' ' D' ' 115' ' ' ALA . 6.4 t80 -86.55 58.26 4.96 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 120.855 -1.153 . . . . 0.0 113.055 -169.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 32.6 p -53.25 158.05 2.87 Favored Pre-proline 0 N--CA 1.48 1.05 0 C-N-CA 126.127 1.771 . . . . 0.0 113.74 -174.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -47.72 -49.92 12.59 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.465 2.11 . . . . 0.0 115.22 170.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.11 -27.46 41.9 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.331 1.354 . . . . 0.0 114.33 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.43 -40.36 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 122.099 2.227 . . . . 0.0 111.777 176.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -60.3 -42.1 94.8 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.562 -0.711 . . . . 0.0 111.139 176.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.7 -31.98 72.98 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 173.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.27 -51.58 56.0 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.432 -0.793 . . . . 0.0 110.239 174.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 130' ' ' TYR . . . . . 0.463 ' HB3' HG12 ' D' ' 111' ' ' VAL . 47.6 m-85 -52.3 -48.59 65.27 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.446 0.566 . . . . 0.0 111.262 169.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 15.1 tm0? -54.67 -46.26 74.01 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 118.206 -0.902 . . . . 0.0 112.654 174.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -63.57 -41.72 98.36 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.733 1.606 . . . . 0.0 113.152 -176.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 1.6 p -73.76 -38.75 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 119.252 0.933 . . . . 0.0 112.239 174.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 134' ' ' VAL . . . . . 0.474 HG11 ' CA ' ' D' ' 107' ' ' GLY . 87.4 t -72.12 -34.83 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 118.781 0.719 . . . . 0.0 112.568 -178.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.48 -40.07 93.21 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.972 -1.08 . . . . 0.0 111.516 167.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -53.12 -52.9 37.1 Favored Glycine 0 N--CA 1.47 0.944 0 CA-C-O 119.628 -0.54 . . . . 0.0 112.385 166.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.05 -42.85 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 118.294 1.047 . . . . 0.0 112.402 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.98 -47.7 83.64 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.75 0.705 . . . . 0.0 111.722 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -31.95 73.35 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.722 -0.611 . . . . 0.0 112.17 175.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.07 -48.82 64.51 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.875 0.87 . . . . 0.0 111.387 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.08 -34.44 74.93 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.511 -0.743 . . . . 0.0 111.597 173.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.39 -4.15 24.69 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 172.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -57.72 -43.13 85.06 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 121.337 1.881 . . . . 0.0 113.204 -176.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -73.99 2.12 9.4 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.786 1.234 . . . . 0.0 113.617 174.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.4 -28.58 6.81 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 127.94 2.496 . . . . 0.0 111.819 -176.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 34.3 m-70 . . . . . 0 C--O 1.255 1.391 0 C-N-CA 128.768 2.827 . . . . 0.0 115.717 -174.814 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.65 HMC3 HD23 ' A' ' 101' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 201' ' ' HEC . . . . . 0.418 HBB3 HD13 ' B' ' 106' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 201' ' ' HEC . . . . . 0.645 HMC1 ' HB3' ' C' ' 97' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 201' ' ' HEC . . . . . 0.41 HBB3 HD13 ' D' ' 106' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 24.7 m . . . . . 0 N--CA 1.509 2.511 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 36.8 mt -144.88 -171.51 3.65 Favored 'General case' 0 CA--C 1.556 1.193 0 O-C-N 120.243 -1.536 . . . . 0.0 111.873 -172.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.51 154.71 77.48 Favored Pre-proline 0 N--CA 1.489 1.507 0 C-N-CA 125.687 1.595 . . . . 0.0 111.745 -168.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -76.48 -51.54 0.1 OUTLIER 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.263 1.975 . . . . 0.0 114.609 -167.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.75 -37.55 84.86 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.358 -0.838 . . . . 0.0 112.232 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.43 -40.8 92.38 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.536 0.734 . . . . 0.0 111.848 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -56.24 -46.12 79.72 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 118.052 -0.975 . . . . 0.0 111.798 170.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.5 m -56.36 -42.53 77.94 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.046 1.294 . . . . 0.0 112.13 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -66.55 -35.91 81.38 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.923 -1.11 . . . . 0.0 112.62 174.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.5 t -61.63 -43.37 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-N 119.192 0.906 . . . . 0.0 111.156 169.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.23 -45.98 91.35 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.317 0.962 . . . . 0.0 111.063 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.87 -50.29 74.58 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.164 0.585 . . . . 0.0 111.151 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.05 -57.86 10.98 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.499 0.719 . . . . 0.0 112.299 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -66.38 -24.08 66.43 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.414 -0.804 . . . . 0.0 113.036 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.85 -50.53 64.87 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.673 1.13 . . . . 0.0 113.391 170.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -26.24 63.31 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 118.642 1.221 . . . . 0.0 112.508 175.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.06 -20.16 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.538 1.135 . . . . 0.0 113.234 172.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.43 141.2 4.65 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 124.813 1.197 . . . . 0.0 114.535 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 61.0 -35.21 0.09 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 128.346 2.658 . . . . 0.0 116.464 -169.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -77.57 -14.1 59.74 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.737 1.215 . . . . 0.0 113.551 173.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.28 -48.09 62.33 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.193 1.397 . . . . 0.0 114.438 -166.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.1 -35.37 92.0 Favored Glycine 0 N--CA 1.47 0.963 0 O-C-N 121.71 -0.619 . . . . 0.0 113.479 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -64.54 -44.85 89.5 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.903 0.881 . . . . 0.0 110.498 173.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -66.33 -35.4 80.26 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.34 -49.16 76.88 Favored Glycine 0 CA--C 1.533 1.207 0 CA-C-N 118.935 0.789 . . . . 0.0 112.264 170.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.86 91.2 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 117.765 0.783 . . . . 0.0 112.001 175.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.85 -40.57 95.37 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 121.252 -0.905 . . . . 0.0 113.122 173.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.08 89.36 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 120.677 1.58 . . . . 0.0 112.202 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.29 -50.6 67.25 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.223 1.009 . . . . 0.0 111.471 171.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.44 -43.47 96.79 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.459 -0.776 . . . . 0.0 111.784 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -60.47 -40.52 91.52 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.501 1.52 . . . . 0.0 111.652 173.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -61.45 -51.43 68.76 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.464 1.029 . . . . 0.0 111.884 171.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -63.16 -41.28 99.22 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.5 -32.69 62.61 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.83 0.741 . . . . 0.0 112.758 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.6 m -78.0 -18.6 55.73 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -146.81 69.17 12.04 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 123.645 0.778 . . . . 0.0 110.56 -170.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -62.08 -13.72 33.33 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.484 2.789 . . . . 0.0 115.464 -165.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.3 p -53.93 -25.71 21.79 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.474 1.51 . . . . 0.0 114.376 163.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.8 p -74.2 -35.49 63.95 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.144 1.338 . . . . 0.0 113.083 175.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -55.98 -34.7 65.98 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -178.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -55.62 -26.93 46.76 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.494 ' CZ ' HG22 ' A' ' 93' ' ' VAL . 0.6 OUTLIER -63.29 -22.05 66.63 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.782 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 30.54 59.06 0.96 Allowed Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 126.975 2.11 . . . . 0.0 113.38 -177.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -46.7 -57.05 2.49 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 124.121 3.214 . . . . 0.0 114.913 -161.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -161.15 17.67 0.11 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.631 1.572 . . . . 0.0 112.652 161.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.48 -176.8 4.52 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.129 1.372 . . . . 0.0 113.357 -162.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -130.84 143.99 51.13 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.423 1.489 . . . . 0.0 109.157 175.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.72 27.88 4.61 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.665 1.586 . . . . 0.0 112.906 -164.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 97.9 p -57.41 167.78 0.92 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.068 1.347 . . . . 0.0 113.689 170.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -57.85 114.5 2.34 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.066 -1.021 . . . . 0.0 111.028 174.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.88 5.48 62.68 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-O 118.754 -1.025 . . . . 0.0 115.488 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.6 116.25 3.57 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.518 1.659 . . . . 0.0 113.726 -173.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.5 -33.64 63.91 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.252 1.021 . . . . 0.0 113.163 177.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -62.56 -38.51 90.36 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.754 0.822 . . . . 0.0 112.04 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.5 t -69.12 -36.02 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 O-C-N 121.434 -0.791 . . . . 0.0 111.386 173.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -63.96 -45.68 88.07 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.537 1.062 . . . . 0.0 111.55 175.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.14 -51.78 56.77 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 124.164 0.888 . . . . 0.0 112.287 174.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -55.89 -43.98 77.73 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.934 0.893 . . . . 0.0 111.92 173.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.12 -48.95 79.82 Favored Glycine 0 CA--C 1.528 0.861 0 O-C-N 121.039 -1.038 . . . . 0.0 113.68 174.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -55.78 -43.48 76.82 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.025 0.93 . . . . 0.0 112.405 171.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HB3' HMA3 ' A' ' 201' ' ' HEC . 0.1 OUTLIER -64.12 -50.29 68.85 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 118.35 -0.834 . . . . 0.0 112.869 175.618 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 69.0 t -56.09 -43.51 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 CA-C-N 120.302 1.41 . . . . 0.0 111.5 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.64 74.31 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -59.87 -36.02 76.04 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.45 -0.781 . . . . 0.0 112.299 176.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.527 ' HB2' HMA1 ' A' ' 201' ' ' HEC . . . -63.32 -38.79 92.52 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.405 -0.81 . . . . 0.0 112.742 171.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mt -65.74 -41.21 92.47 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.695 -0.669 . . . . 0.0 111.914 170.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 45.5 m -58.94 -45.8 89.53 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.983 1.265 . . . . 0.0 111.708 171.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -61.54 -39.95 92.9 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.583 1.953 . . . . 0.0 112.446 175.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.08 -58.12 10.05 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.778 0.717 . . . . 0.0 110.371 167.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.8 t -52.53 -41.02 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 125.082 1.353 . . . . 0.0 112.908 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.55 -23.06 65.38 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.32 1.448 . . . . 0.0 114.63 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -135.77 24.14 3.37 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.296 1.438 . . . . 0.0 112.249 -171.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.86 -23.1 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -154.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.92 -5.99 40.17 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 120.094 1.315 . . . . 0.0 114.415 172.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -119.81 3.25 11.09 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.654 2.382 . . . . 0.0 112.453 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -61.81 -17.73 0.42 Allowed Pre-proline 0 CA--C 1.546 0.795 0 N-CA-C 117.862 2.542 . . . . 0.0 117.862 -178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.517 ' HA ' HG13 ' A' ' 135' ' ' VAL . 85.7 Cg_exo -45.92 -42.87 20.21 Favored 'Trans proline' 0 C--N 1.361 1.223 0 CA-C-N 123.936 2.441 . . . . 0.0 114.222 168.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -75.82 -50.62 14.64 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.328 0.651 . . . . 0.0 110.803 173.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.52 -16.13 63.77 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -170.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.0 mt -101.6 5.64 41.73 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.164 1.386 . . . . 0.0 112.984 173.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.7 t -57.61 -37.9 74.04 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 120.848 -1.157 . . . . 0.0 113.614 -177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.9 -25.8 61.32 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.717 1.144 . . . . 0.0 113.434 174.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 mt -89.14 -34.06 16.84 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.687 1.195 . . . . 0.0 110.677 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.2 t -57.98 -46.07 85.75 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 117.941 -1.028 . . . . 0.0 111.127 162.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -54.97 -51.22 66.86 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.439 1.472 . . . . 0.0 112.588 172.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.26 -53.46 28.25 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.511 0.725 . . . . 0.0 111.148 171.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -18.65 61.22 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -178.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.03 -11.9 12.67 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 121.176 1.807 . . . . 0.0 114.309 -170.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.26 -5.01 2.67 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.373 1.469 . . . . 0.0 113.981 178.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -130.1 -42.34 1.23 Allowed 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 115.316 1.598 . . . . 0.0 115.316 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.48 -54.8 2.59 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 23.0 mtm105 46.34 48.96 13.32 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 126.294 1.837 . . . . 0.0 114.547 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.494 HG22 ' CZ ' ' A' ' 42' ' ' TYR . 87.2 t -86.11 139.18 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.749 0.82 . . . . 0.0 111.187 177.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -41.66 128.24 2.41 Favored Pre-proline 0 CA--C 1.555 1.138 0 C-N-CA 127.658 2.383 . . . . 0.0 113.906 168.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -50.51 -15.66 1.69 Allowed 'Trans proline' 0 C--N 1.357 0.98 1 C-N-CA 125.306 4.004 . . . . 0.0 117.698 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.8 p -48.42 -36.07 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 120.827 -1.171 . . . . 0.0 112.327 169.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.455 ' HB3' HMC1 ' A' ' 201' ' ' HEC . 11.2 m-80 -65.94 -38.48 88.73 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.552 -0.737 . . . . 0.0 112.628 176.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -50.65 72.15 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.243 0.928 . . . . 0.0 110.156 172.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -54.58 -48.68 71.81 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.9 0.88 . . . . 0.0 110.479 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.94 -56.98 14.68 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.624 0.769 . . . . 0.0 112.352 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.404 HD21 HBB3 ' A' ' 201' ' ' HEC . 0.2 OUTLIER -58.94 -41.42 87.34 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.912 0.778 . . . . 0.0 111.906 -179.541 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.7 m -68.62 -43.42 76.4 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.248 0.931 . . . . 0.0 112.904 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -46.4 90.35 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.731 -0.606 . . . . 0.0 110.78 172.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 94.1 m -62.68 -39.42 93.9 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 117.958 -1.02 . . . . 0.0 111.821 176.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.8 mt -56.53 -55.94 27.5 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 120.468 1.485 . . . . 0.0 111.405 172.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.2 mt -48.26 -49.4 33.59 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.191 0.905 . . . . 0.0 111.224 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.22 -46.01 97.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 123.697 0.799 . . . . 0.0 112.548 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 87.2 m -64.62 -43.42 93.79 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.429 -0.795 . . . . 0.0 112.401 177.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.6 mt -58.62 -46.81 86.25 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.107 0.867 . . . . 0.0 109.514 176.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.97 -16.71 64.52 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.85 -12.58 50.08 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 119.408 1.004 . . . . 0.0 113.024 169.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -132.15 -14.01 3.07 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.992 1.317 . . . . 0.0 114.528 -175.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.2 mp -104.83 154.96 38.23 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 125.437 1.495 . . . . 0.0 110.807 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -52.87 -37.01 76.67 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 124.121 3.214 . . . . 0.0 115.819 -170.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.47 -33.79 0.1 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.088 0.955 . . . . 0.0 113.202 174.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 63.46 -4.28 0.33 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 116.018 1.858 . . . . 0.0 116.018 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.42 29.31 2.7 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.106 1.362 . . . . 0.0 111.37 -178.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.6 p -54.36 166.27 0.73 Allowed Pre-proline 0 N--CA 1.477 0.921 0 O-C-N 121.266 -0.896 . . . . 0.0 110.452 173.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -49.11 -38.11 39.72 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.105 1.87 . . . . 0.0 115.434 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.15 -53.03 7.07 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.796 0.331 . . . . 0.0 111.198 172.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.9 -34.06 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.075 -1.016 . . . . 0.0 112.172 -168.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -65.17 -51.14 62.94 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.639 1.563 . . . . 0.0 111.847 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.41 86.64 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.433 0.293 . . . . 0.0 110.959 173.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.0 m -58.14 -56.54 20.74 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.1 0.56 . . . . 0.0 111.949 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -75.26 -42.55 54.84 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.993 0.917 . . . . 0.0 112.01 -174.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -60.63 -51.07 70.95 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.814 1.188 . . . . 0.0 111.644 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.291 0.0 OUTLIER -71.08 -28.29 64.23 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 178.768 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -64.59 -50.8 65.78 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.791 1.178 . . . . 0.0 111.424 170.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.38 -36.84 81.38 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.96 0.8 . . . . 0.0 111.399 175.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.92 -54.5 46.27 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 118.514 -0.755 . . . . 0.0 111.172 170.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 69.3 m -60.9 -40.01 91.51 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.193 1.361 . . . . 0.0 114.163 177.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 55.5 t -55.67 -45.38 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-N 119.352 0.978 . . . . 0.0 110.476 171.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 67.9 m -74.2 -37.22 63.96 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 178.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 95.8 m -53.19 -44.97 68.36 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.213 1.37 . . . . 0.0 110.187 167.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.517 HG13 ' HA ' ' A' ' 77' ' ' PRO . 20.6 t -67.33 -46.05 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 124.438 1.095 . . . . 0.0 112.928 174.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -45.46 93.25 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.743 1.156 . . . . 0.0 112.024 176.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 92.5 m -66.77 -31.48 72.15 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.381 1.473 . . . . 0.0 113.146 176.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 14.4 t -56.52 119.35 5.94 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.95 0.9 . . . . 0.0 111.018 172.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -57.73 -40.41 79.58 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -165.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 42.57 -118.67 0.48 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 125.572 1.549 . . . . 0.0 113.166 -171.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 . . . . . 0 C--O 1.254 1.322 0 C-N-CA 126.103 1.761 . . . . 0.0 113.705 -172.436 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.331 2.5 p . . . . . 0 N--CA 1.514 2.75 0 CA-C-O 117.136 -1.411 . . . . 0.0 113.119 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 20.75 78.96 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 127.834 2.454 . . . . 0.0 116.109 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.26 160.84 17.81 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.014 175.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.5 p -64.97 154.14 87.09 Favored Pre-proline 0 N--CA 1.479 1.0 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.354 164.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.4 -35.68 85.3 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 122.551 2.167 . . . . 0.0 113.993 174.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.12 -43.62 67.25 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.438 0.695 . . . . 0.0 111.831 176.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -67.36 -38.78 85.32 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.33 -0.857 . . . . 0.0 112.216 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -53.39 -49.82 66.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.311 1.444 . . . . 0.0 111.029 168.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.3 t -59.39 -47.27 86.09 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.053 0.388 . . . . 0.0 111.774 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.86 -50.73 67.97 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.065 0.946 . . . . 0.0 113.48 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.34 -57.57 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 118.186 0.448 . . . . 0.0 111.616 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.2 m -70.06 -33.82 72.43 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.124 -0.985 . . . . 0.0 113.174 -168.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.92 -38.37 90.72 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 119.75 1.159 . . . . 0.0 112.416 175.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -31.96 66.37 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.645 -0.66 . . . . 0.0 112.219 174.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -36.71 82.68 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 120.936 -1.103 . . . . 0.0 112.898 166.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.12 -39.42 92.17 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.773 1.178 . . . . 0.0 114.312 174.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -89.91 -13.58 36.03 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.92 146.06 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.219 1.007 . . . . 0.0 113.263 -174.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -95.26 76.69 3.43 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.8 1.24 . . . . 0.0 109.428 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 95.1 t -47.61 -39.19 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -165.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -63.75 -60.42 3.32 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.898 0.879 . . . . 0.0 112.326 174.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -69.47 -49.69 52.51 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.53 0.732 . . . . 0.0 111.324 -174.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.99 -27.94 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.498 1.119 . . . . 0.0 112.235 179.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.95 -42.53 8.8 Favored Glycine 0 N--CA 1.468 0.801 0 CA-C-N 119.308 0.958 . . . . 0.0 112.195 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.02 -41.62 92.54 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-N 118.1 0.95 . . . . 0.0 111.765 167.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -62.56 -55.57 26.04 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 118.107 0.953 . . . . 0.0 112.52 168.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.97 -42.37 65.47 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 121.228 1.831 . . . . 0.0 113.403 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 tp -77.95 -54.62 6.09 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.762 0.825 . . . . 0.0 112.005 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.62 -45.25 96.21 Favored Glycine 0 N--CA 1.469 0.898 0 O-C-N 120.414 -1.429 . . . . 0.0 112.635 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -70.9 -10.18 59.15 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.763 1.225 . . . . 0.0 112.917 175.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -77.61 -44.36 28.57 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 120.122 1.328 . . . . 0.0 109.819 161.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.8 -25.52 67.95 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.462 -1.399 . . . . 0.0 113.299 175.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 m -75.27 -17.07 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 CA-C-N 120.535 1.516 . . . . 0.0 115.073 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.71 3.07 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-N 121.508 1.958 . . . . 0.0 113.685 -177.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 48.74 42.55 1.28 Allowed Pre-proline 0 CA--C 1.563 1.452 0 C-N-CA 125.817 1.647 . . . . 0.0 115.301 -163.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -75.72 168.17 24.85 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 123.666 2.911 . . . . 0.0 113.971 -173.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -24.57 65.61 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 170.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 25.4 p -60.84 -24.06 65.6 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 120.446 -1.409 . . . . 0.0 113.664 171.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -61.52 -8.95 4.83 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.913 -1.117 . . . . 0.0 113.512 -178.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -53.4 -33.37 53.55 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 118.967 -2.333 . . . . 0.0 113.559 170.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -88.31 9.08 24.45 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -49.77 -28.97 6.93 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 175.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -55.31 -14.06 1.65 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.17 1.788 . . . . 0.0 115.181 171.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 50.4 m -108.07 16.02 23.74 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.913 2.085 . . . . 0.0 113.486 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -117.62 4.77 12.35 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.743 1.217 . . . . 0.0 113.666 -178.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.95 -35.5 2.12 Favored Glycine 0 CA--C 1.533 1.216 0 N-CA-C 117.055 1.582 . . . . 0.0 117.055 162.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -141.39 -91.0 0.15 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.391 1.595 . . . . 0.0 111.785 -176.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 44.0 1.07 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 120.177 3.399 . . . . 0.0 120.177 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -59.91 -21.48 61.15 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 120.279 1.399 . . . . 0.0 114.298 -167.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 64.2 p -124.27 157.42 64.56 Favored Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 125.346 1.458 . . . . 0.0 110.598 164.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -55.76 -40.59 84.34 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.787 2.325 . . . . 0.0 114.715 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.85 -39.59 92.38 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.638 -0.664 . . . . 0.0 112.032 175.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.52 99.3 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.82 -26.0 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 119.719 1.145 . . . . 0.0 113.356 178.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -36.71 45.2 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.213 0.915 . . . . 0.0 112.925 174.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.28 -27.63 19.97 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 115.17 0.828 . . . . 0.0 115.17 -173.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.3 133.46 84.81 Favored Pre-proline 0 CA--C 1.555 1.149 0 CA-C-N 118.312 1.056 . . . . 0.0 113.613 -174.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.18 -32.74 16.26 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.766 2.31 . . . . 0.0 114.004 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -59.56 -45.86 90.58 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 120.481 1.492 . . . . 0.0 110.966 173.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 60.2 t -61.21 -37.09 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 CA-C-N 119.299 0.954 . . . . 0.0 112.773 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -68.77 -49.77 55.94 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 120.095 1.316 . . . . 0.0 112.795 174.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.66 98.45 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.896 0.878 . . . . 0.0 112.421 176.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -68.22 -33.37 74.28 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.14 -0.975 . . . . 0.0 111.669 175.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.12 -48.69 58.27 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 126.092 1.806 . . . . 0.0 113.377 165.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -59.81 -42.56 93.75 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 117.892 0.846 . . . . 0.0 112.048 171.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -62.52 -53.87 48.29 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.288 0.949 . . . . 0.0 113.007 176.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 12.3 p -58.22 -46.68 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-N 119.917 1.235 . . . . 0.0 112.082 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 tt -68.88 -39.33 79.86 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.279 -0.888 . . . . 0.0 111.818 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.79 -39.56 47.5 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.485 1.517 . . . . 0.0 113.697 171.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.43 -50.44 69.77 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.207 1.004 . . . . 0.0 111.903 168.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -58.97 -35.1 72.62 Favored 'General case' 0 CA--C 1.554 1.111 0 O-C-N 120.363 -1.46 . . . . 0.0 114.015 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 98.5 p -74.55 -37.67 62.94 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.227 -1.545 . . . . 0.0 113.434 173.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -56.95 -32.62 66.2 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.464 1.029 . . . . 0.0 111.578 164.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.12 -60.23 9.35 Favored Glycine 0 CA--C 1.523 0.532 0 C-N-CA 123.885 0.755 . . . . 0.0 111.812 170.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.5 mt -58.81 -26.8 64.45 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 178.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.75 -18.78 43.04 Favored 'General case' 0 CA--C 1.554 1.098 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 173.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -140.28 34.48 1.89 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.817 1.247 . . . . 0.0 113.282 -170.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 84.9 mt -55.83 -21.64 20.71 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -57.88 -33.09 68.33 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.174 1.39 . . . . 0.0 114.311 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -162.18 65.45 0.23 Allowed 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.382 0.992 . . . . 0.0 113.112 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 98.4 mt -45.81 -46.44 15.44 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.886 1.274 . . . . 0.0 113.717 -175.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -4.4 3.69 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.92 -10.21 52.76 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.347 1.451 . . . . 0.0 114.464 172.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 3.4 m -119.07 -28.76 5.42 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.048 1.339 . . . . 0.0 111.922 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -90.48 -4.67 56.8 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.305 1.042 . . . . 0.0 113.625 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.99 -37.77 61.68 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 -165.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 19.2 p -63.14 -41.72 99.34 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.129 0.972 . . . . 0.0 112.185 173.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 50.5 mt -66.81 -42.81 85.29 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 124.146 0.978 . . . . 0.0 110.969 171.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 7.0 m -61.84 -37.86 86.05 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 120.363 1.438 . . . . 0.0 112.613 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.78 -51.14 66.16 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.018 0.927 . . . . 0.0 111.959 171.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 21.8 tp -50.38 -52.78 34.32 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.272 -0.892 . . . . 0.0 111.427 171.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -71.24 8.97 0.85 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.26 1.424 . . . . 0.0 114.811 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 43.3 t -131.65 -70.0 0.6 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.315 1.046 . . . . 0.0 110.721 173.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -65.86 -16.5 63.89 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.155 1.382 . . . . 0.0 114.294 -175.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.35 -36.97 5.65 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.439 1.096 . . . . 0.0 112.696 166.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 12.5 mt -133.72 51.56 2.13 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.668 1.187 . . . . 0.0 113.747 -166.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -61.92 25.55 0.01 OUTLIER 'General case' 0 CA--C 1.567 1.598 0 C-N-CA 127.22 2.208 . . . . 0.0 116.808 -177.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 9.2 m -55.48 155.97 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.819 1.648 . . . . 0.0 113.272 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -56.36 136.77 75.87 Favored Pre-proline 0 CA--C 1.558 1.271 0 O-C-N 120.708 -1.245 . . . . 0.0 113.312 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -45.25 -31.69 6.48 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 123.977 3.118 . . . . 0.0 116.585 173.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.98 -31.95 70.39 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.027 -1.671 . . . . 0.0 113.038 175.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -58.14 -37.77 75.28 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.095 -1.003 . . . . 0.0 111.768 175.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -68.94 -45.8 69.82 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.664 1.186 . . . . 0.0 110.929 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -38.47 69.94 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 118.868 -0.587 . . . . 0.0 112.193 172.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.01 -50.2 67.22 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.405 1.002 . . . . 0.0 111.701 177.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.84 -46.49 78.16 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 122.804 0.442 . . . . 0.0 110.368 174.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -59.05 -44.22 96.44 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 124.532 1.063 . . . . 0.0 115.009 175.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -60.9 -46.0 92.38 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.532 1.166 . . . . 0.0 111.102 175.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 92.1 t -62.33 -37.18 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 O-C-N 121.036 -1.04 . . . . 0.0 112.912 172.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 56.8 tp -57.96 -56.28 24.05 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 119.05 0.841 . . . . 0.0 110.469 171.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.49 HG12 ' HB3' ' B' ' 130' ' ' TYR . 17.8 m -64.16 -28.43 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-N 120.011 1.278 . . . . 0.0 113.421 -178.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 4.7 m -53.72 -63.83 1.02 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 117.933 -1.032 . . . . 0.0 111.402 168.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 3.1 p -51.38 -36.89 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 120.145 1.339 . . . . 0.0 113.773 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.18 -48.33 78.83 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 121.458 -0.776 . . . . 0.0 110.816 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.98 12.66 0.5 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.201 1.401 . . . . 0.0 113.908 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -118.36 -53.27 2.35 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.903 1.281 . . . . 0.0 110.107 177.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -69.79 -31.3 69.13 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.529 -0.732 . . . . 0.0 112.508 172.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -119.0 32.73 5.98 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.633 1.573 . . . . 0.0 110.965 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -56.99 -31.64 61.69 Favored Glycine 0 CA--C 1.538 1.525 0 O-C-N 120.491 -1.381 . . . . 0.0 114.661 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -66.89 -16.07 64.07 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.697 1.199 . . . . 0.0 113.91 172.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -109.6 14.72 23.31 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.222 2.209 . . . . 0.0 111.809 -174.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -65.67 83.54 0.07 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.552 1.541 . . . . 0.0 112.556 -177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.78 158.07 84.38 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 124.319 1.048 . . . . 0.0 112.306 -178.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 124' ' ' PRO . . . . . 0.492 ' CB ' ' HD3' ' B' ' 125' ' ' PRO 0.386 2.9 Cg_exo -27.73 -92.21 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.088 1 C-N-CA 127.105 5.203 . . . . 0.0 118.622 -169.298 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' B' B ' 125' ' ' PRO . . . . . 0.492 ' HD3' ' CB ' ' B' ' 124' ' ' PRO . 23.1 Cg_exo -82.61 25.69 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 CA-C-N 124.455 2.627 . . . . 0.0 116.975 169.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 6.2 p -51.51 -41.22 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 CA-C-N 122.473 2.397 . . . . 0.0 114.559 -168.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -59.36 -48.17 82.65 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.306 0.957 . . . . 0.0 111.296 173.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.27 -37.28 86.65 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.425 1.09 . . . . 0.0 112.835 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.32 -51.85 64.3 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.778 0.831 . . . . 0.0 110.205 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.49 ' HB3' HG12 ' B' ' 111' ' ' VAL . 34.2 m-85 -57.65 -46.97 83.52 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 118.596 -0.716 . . . . 0.0 112.056 169.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -56.68 -33.07 66.06 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.904 1.229 . . . . 0.0 113.188 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -68.11 -45.64 73.12 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 120.449 1.477 . . . . 0.0 113.742 172.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 4.1 p -67.29 -38.1 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 CA-C-N 120.407 1.458 . . . . 0.0 111.627 173.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 25.4 t -60.54 -44.9 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.608 1.163 . . . . 0.0 111.581 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.82 -42.44 97.66 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.701 0.801 . . . . 0.0 112.079 172.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.32 -46.37 86.81 Favored Glycine 0 N--CA 1.473 1.101 0 O-C-N 121.785 -0.572 . . . . 0.0 112.897 172.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 50.2 t -66.3 -44.23 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.001 0.92 . . . . 0.0 111.792 176.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.08 -47.96 76.99 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.035 0.834 . . . . 0.0 111.744 173.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -65.13 -38.09 89.53 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.964 0.906 . . . . 0.0 113.082 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.12 -43.31 92.36 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.244 1.017 . . . . 0.0 112.527 174.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.24 -38.25 89.77 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.932 -1.105 . . . . 0.0 111.975 171.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.87 -5.35 16.25 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 170.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -55.88 -44.85 78.55 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 119.777 -1.827 . . . . 0.0 112.88 -175.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -66.25 -2.93 4.85 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -77.57 -21.84 51.88 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.184 0.993 . . . . 0.0 111.514 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 73.0 m80 . . . . . 0 C--O 1.255 1.387 0 C-N-CA 126.236 1.814 . . . . 0.0 112.478 175.757 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.509 2.482 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 37.0 mt -144.87 -171.55 3.65 Favored 'General case' 0 N--CA 1.484 1.275 0 O-C-N 120.242 -1.536 . . . . 0.0 111.946 -172.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.45 154.75 77.37 Favored Pre-proline 0 N--CA 1.489 1.479 0 C-N-CA 125.466 1.506 . . . . 0.0 111.778 -168.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -76.46 -51.48 0.1 OUTLIER 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.218 1.945 . . . . 0.0 114.755 -168.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.53 84.99 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.508 -0.745 . . . . 0.0 112.25 -176.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.62 -40.7 92.86 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.514 0.725 . . . . 0.0 111.877 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -56.26 -46.01 79.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 117.993 -1.004 . . . . 0.0 111.849 170.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 63.2 m -56.58 -42.42 78.63 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 120.163 1.347 . . . . 0.0 112.11 176.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -66.74 -35.66 80.63 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.106 -0.996 . . . . 0.0 112.68 174.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.56 -43.53 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 CA-C-N 119.264 0.938 . . . . 0.0 111.231 168.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -60.18 -45.81 91.85 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.447 1.021 . . . . 0.0 111.111 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.01 -50.34 74.47 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.265 0.626 . . . . 0.0 111.169 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.17 -57.84 11.07 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.403 0.681 . . . . 0.0 112.394 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -66.31 -24.03 66.47 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.424 -0.797 . . . . 0.0 112.937 -177.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.83 -50.58 64.45 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 124.853 1.216 . . . . 0.0 113.234 171.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -26.13 63.17 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 118.637 1.218 . . . . 0.0 112.483 175.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 88.5 t -68.12 -20.32 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.467 1.107 . . . . 0.0 113.23 172.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.2 141.18 4.36 Favored Glycine 0 CA--C 1.542 1.755 0 C-N-CA 124.785 1.183 . . . . 0.0 114.656 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 60.97 -35.2 0.09 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 128.273 2.629 . . . . 0.0 116.542 -169.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -77.59 -14.0 59.76 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.864 1.265 . . . . 0.0 113.605 173.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.46 -48.06 62.93 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.222 1.409 . . . . 0.0 114.313 -166.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.99 -35.46 92.11 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 121.776 -0.577 . . . . 0.0 113.573 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.51 -44.88 89.53 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.901 0.88 . . . . 0.0 110.578 173.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -66.51 -34.99 79.16 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.61 -48.92 77.97 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 118.996 0.817 . . . . 0.0 112.384 170.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.76 91.78 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.75 0.82 . . . . 0.0 112.118 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.98 -40.49 95.05 Favored 'General case' 0 C--O 1.223 -0.304 0 O-C-N 121.336 -0.853 . . . . 0.0 113.123 173.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.74 -38.01 88.84 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 120.839 1.654 . . . . 0.0 112.302 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -64.44 -50.76 66.28 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.22 1.008 . . . . 0.0 111.215 172.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -60.28 -43.51 96.18 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.432 -0.792 . . . . 0.0 111.701 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -60.69 -40.4 92.05 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.282 1.433 . . . . 0.0 111.542 173.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 13.4 tmm? -61.41 -51.45 68.68 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.404 1.002 . . . . 0.0 111.937 171.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -63.16 -41.18 99.21 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.41 -32.58 62.72 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.914 0.779 . . . . 0.0 112.911 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' D' ' 128' ' ' ALA . 71.1 m -78.12 -18.53 55.54 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -146.94 69.17 11.88 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 123.615 0.766 . . . . 0.0 110.495 -170.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -62.04 -13.76 33.39 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.584 2.856 . . . . 0.0 115.433 -166.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 2.2 p -54.07 -24.96 19.25 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.492 1.517 . . . . 0.0 114.578 163.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 72.7 p -74.72 -35.6 62.69 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.124 1.329 . . . . 0.0 113.152 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -56.08 -34.73 66.26 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 121.305 -0.872 . . . . 0.0 113.298 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 2.4 t -55.69 -26.86 47.06 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 42' ' ' TYR . . . . . 0.499 ' CZ ' HG22 ' C' ' 93' ' ' VAL . 0.6 OUTLIER -63.4 -21.85 66.53 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -174.765 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 30.67 59.02 0.98 Allowed Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 126.878 2.071 . . . . 0.0 113.378 -177.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -46.67 -57.08 2.47 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 124.178 3.252 . . . . 0.0 115.064 -161.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -161.18 17.73 0.11 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.605 1.562 . . . . 0.0 112.699 161.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.68 -176.85 4.55 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.122 1.369 . . . . 0.0 113.327 -162.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -130.78 144.11 51.22 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.451 1.5 . . . . 0.0 109.183 175.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.9 27.81 4.56 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.605 1.562 . . . . 0.0 112.834 -163.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 97.6 p -57.4 167.78 0.91 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.002 1.321 . . . . 0.0 113.763 170.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -57.84 114.51 2.34 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.051 -1.031 . . . . 0.0 110.971 174.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.84 5.38 62.82 Favored Glycine 0 CA--C 1.538 1.511 0 CA-C-O 118.709 -1.051 . . . . 0.0 115.589 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.49 116.28 3.55 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.443 1.621 . . . . 0.0 113.783 -173.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.61 -33.56 64.08 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.219 1.008 . . . . 0.0 113.259 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -62.48 -38.63 90.61 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.664 0.786 . . . . 0.0 112.147 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 65.4 t -69.03 -36.03 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.654 0.782 . . . . 0.0 111.311 173.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -63.99 -45.66 88.04 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.509 1.049 . . . . 0.0 111.621 175.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.21 -51.67 57.39 Favored Glycine 0 N--CA 1.471 0.996 0 C-N-CA 124.052 0.834 . . . . 0.0 112.46 174.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -55.69 -44.22 77.16 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.952 0.901 . . . . 0.0 111.974 173.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -57.93 -49.08 78.02 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 120.894 -1.129 . . . . 0.0 113.689 174.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -55.58 -43.69 76.21 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.097 0.959 . . . . 0.0 112.258 171.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 61' ' ' LYS . . . . . 0.407 ' HB3' HMA3 ' C' ' 201' ' ' HEC . 0.1 OUTLIER -64.09 -50.35 68.65 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 118.229 -0.891 . . . . 0.0 112.702 175.861 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 69.0 t -56.03 -43.52 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 120.352 1.433 . . . . 0.0 111.415 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.65 -49.81 73.68 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 175.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -59.85 -35.9 75.75 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.528 -0.733 . . . . 0.0 112.269 176.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 65' ' ' ALA . . . . . 0.519 ' HB2' HMA1 ' C' ' 201' ' ' HEC . . . -63.37 -39.08 93.56 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 121.512 -0.742 . . . . 0.0 112.82 171.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mt -65.47 -41.32 93.46 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 118.664 -0.684 . . . . 0.0 111.802 170.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 48.6 m -59.01 -45.84 89.68 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.959 1.254 . . . . 0.0 111.624 171.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -61.45 -39.92 92.58 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.503 1.921 . . . . 0.0 112.402 175.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.08 -58.23 9.55 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.694 0.679 . . . . 0.0 110.29 167.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 74.4 t -52.09 -41.44 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 125.123 1.369 . . . . 0.0 112.943 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.33 -22.92 65.58 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.401 1.48 . . . . 0.0 114.794 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -135.93 23.97 3.32 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.303 1.441 . . . . 0.0 112.351 -171.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.71 -23.08 25.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 N-CA-C 117.001 2.223 . . . . 0.0 117.001 -154.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.92 -6.11 39.91 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 120.205 1.366 . . . . 0.0 114.314 172.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -119.69 3.24 11.16 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.706 2.402 . . . . 0.0 112.451 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -62.39 -17.06 0.38 Allowed Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 117.995 2.591 . . . . 0.0 117.995 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 77' ' ' PRO . . . . . 0.514 ' HA ' HG13 ' C' ' 135' ' ' VAL . 87.3 Cg_exo -46.23 -42.87 21.68 Favored 'Trans proline' 0 C--N 1.358 1.051 0 CA-C-N 123.881 2.422 . . . . 0.0 113.996 167.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -75.92 -50.4 15.09 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.126 0.57 . . . . 0.0 110.753 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.63 -16.28 63.79 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -170.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 84.2 mt -101.36 5.65 42.33 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.055 1.342 . . . . 0.0 113.106 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 14.4 t -57.62 -38.01 74.27 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.719 -1.238 . . . . 0.0 113.514 -177.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.49 -26.14 60.83 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.898 1.226 . . . . 0.0 113.495 174.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 mt -89.0 -34.13 16.94 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.536 1.134 . . . . 0.0 110.709 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 13.1 t -57.94 -45.92 85.87 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 117.976 -1.012 . . . . 0.0 111.165 163.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -55.04 -51.13 67.27 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.489 1.495 . . . . 0.0 112.569 172.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.38 -53.39 29.56 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.385 0.674 . . . . 0.0 111.145 171.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -18.42 61.2 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -178.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.25 -11.64 12.57 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 121.128 1.785 . . . . 0.0 114.309 -170.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.4 -5.13 2.61 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.336 1.454 . . . . 0.0 113.96 178.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -129.98 -42.49 1.24 Allowed 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.48 -54.76 2.6 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 23.1 mtm105 46.39 49.1 13.38 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 126.234 1.814 . . . . 0.0 114.443 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 93' ' ' VAL . . . . . 0.499 HG22 ' CZ ' ' C' ' 42' ' ' TYR . 89.9 t -86.0 139.19 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.75 0.82 . . . . 0.0 111.275 177.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -41.69 127.94 2.44 Favored Pre-proline 0 CA--C 1.554 1.104 0 C-N-CA 127.929 2.492 . . . . 0.0 113.88 168.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -50.22 -15.97 1.65 Allowed 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 125.272 3.981 . . . . 0.0 117.659 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 9.8 p -48.34 -36.06 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.74 1.155 . . . . 0.0 112.325 169.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 97' ' ' ASN . . . . . 0.455 ' HB3' HMC1 ' C' ' 201' ' ' HEC . 11.5 m-80 -66.1 -38.34 88.0 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.416 -0.802 . . . . 0.0 112.686 176.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -50.41 72.9 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.292 0.951 . . . . 0.0 110.266 172.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -54.79 -48.68 72.41 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.829 0.852 . . . . 0.0 110.412 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.8 -57.21 13.63 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.843 0.857 . . . . 0.0 112.286 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 101' ' ' LEU . . . . . 0.415 HD21 HBB3 ' C' ' 201' ' ' HEC . 0.1 OUTLIER -58.97 -41.28 87.14 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.008 0.822 . . . . 0.0 112.072 -179.472 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 70.7 m -68.46 -43.46 76.94 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.201 0.91 . . . . 0.0 112.929 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -46.19 91.37 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.793 -0.567 . . . . 0.0 110.755 172.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 93.4 m -62.76 -39.58 94.58 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-O 117.88 -1.057 . . . . 0.0 111.721 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 23.1 mt -56.24 -56.28 22.95 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 120.57 1.532 . . . . 0.0 111.46 172.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 8.2 mt -48.15 -49.39 32.59 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.098 0.863 . . . . 0.0 111.248 176.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.12 -46.27 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 123.777 0.831 . . . . 0.0 112.434 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 86.2 m -65.18 -42.75 93.36 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.379 -0.825 . . . . 0.0 112.422 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.21 -47.46 83.41 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.228 0.922 . . . . 0.0 109.589 175.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.62 -17.09 64.64 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.7 -12.52 47.5 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.313 0.96 . . . . 0.0 113.217 169.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -132.21 -13.9 3.05 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -175.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 11.2 mp -104.8 155.12 37.99 Favored Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 125.264 1.426 . . . . 0.0 110.845 177.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -52.94 -37.04 77.46 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 124.111 3.207 . . . . 0.0 115.973 -170.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.28 -33.9 0.1 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.96 0.904 . . . . 0.0 113.281 173.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 63.8 -4.32 0.36 Allowed 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.57 29.0 2.68 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.527 1.531 . . . . 0.0 111.306 -177.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 2.6 p -54.15 166.11 0.71 Allowed Pre-proline 0 N--CA 1.478 0.959 0 O-C-N 121.361 -0.837 . . . . 0.0 110.289 172.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -49.06 -38.12 39.23 Favored 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 122.053 1.835 . . . . 0.0 115.447 174.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.97 -53.28 6.89 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.819 0.342 . . . . 0.0 111.359 172.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.68 -34.1 65.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 O-C-N 121.177 -0.952 . . . . 0.0 112.165 -168.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -64.99 -51.13 63.38 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 120.833 1.651 . . . . 0.0 112.145 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.9 -44.35 86.73 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 117.834 0.288 . . . . 0.0 110.784 173.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 49.4 m -58.33 -56.64 19.48 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.008 0.523 . . . . 0.0 112.119 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -75.05 -42.36 57.26 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.561 0.745 . . . . 0.0 111.843 -174.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -60.66 -51.18 70.48 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.757 1.162 . . . . 0.0 111.476 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . 0.286 0.0 OUTLIER -71.1 -28.26 64.19 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 178.709 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -64.5 -50.78 66.05 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 119.843 1.201 . . . . 0.0 111.445 170.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.65 -36.54 81.1 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.831 0.742 . . . . 0.0 111.423 175.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.96 -54.52 46.0 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 118.457 -0.783 . . . . 0.0 111.313 170.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 68.0 m -60.74 -40.17 91.4 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 120.339 1.427 . . . . 0.0 114.1 177.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 55.9 t -55.65 -45.36 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.493 1.042 . . . . 0.0 110.43 171.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 68.7 m -74.06 -37.35 64.29 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 95.0 m -53.05 -45.1 67.92 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 120.298 1.408 . . . . 0.0 110.209 167.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 135' ' ' VAL . . . . . 0.514 HG13 ' HA ' ' C' ' 77' ' ' PRO . 20.2 t -67.41 -45.64 85.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 124.289 1.036 . . . . 0.0 113.083 175.13 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -45.56 93.41 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.7 1.137 . . . . 0.0 111.968 176.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 91.7 m -66.6 -31.51 72.26 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.455 1.502 . . . . 0.0 113.245 175.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 14.1 t -56.56 119.24 5.77 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.907 0.883 . . . . 0.0 111.011 172.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -57.52 -40.44 78.75 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -165.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 42.51 -118.65 0.47 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.575 1.55 . . . . 0.0 113.174 -171.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 . . . . . 0 C--O 1.255 1.374 0 C-N-CA 125.844 1.657 . . . . 0.0 113.772 -172.437 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.326 2.5 p . . . . . 0 N--CA 1.514 2.732 0 CA-C-O 117.077 -1.439 . . . . 0.0 113.002 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 20.77 78.97 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 127.932 2.493 . . . . 0.0 116.151 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.35 160.82 18.11 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.938 -0.476 . . . . 0.0 111.027 175.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 5.5 p -64.86 154.28 86.29 Favored Pre-proline 0 N--CA 1.478 0.946 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.446 164.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.49 -35.64 85.97 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.48 2.12 . . . . 0.0 114.09 174.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.2 -43.6 67.06 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.478 0.711 . . . . 0.0 111.824 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.48 -38.53 84.54 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.324 -0.86 . . . . 0.0 112.139 175.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -53.65 -49.65 67.45 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.283 1.433 . . . . 0.0 110.927 168.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 19.7 t -59.65 -47.07 87.07 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 117.982 0.355 . . . . 0.0 111.621 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.02 -50.58 68.7 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.044 0.938 . . . . 0.0 113.469 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.43 -57.55 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.235 0.47 . . . . 0.0 111.602 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 15.0 m -70.07 -34.06 72.7 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.023 -1.048 . . . . 0.0 112.938 -168.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.56 -38.3 89.54 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.782 1.174 . . . . 0.0 112.455 175.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.28 -30.94 63.76 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.48 -0.763 . . . . 0.0 112.1 174.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -36.92 83.66 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.154 -0.966 . . . . 0.0 112.87 166.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.93 -39.41 91.7 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.893 1.235 . . . . 0.0 114.172 175.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -89.98 -13.33 36.36 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 176.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.89 146.09 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 124.049 0.94 . . . . 0.0 113.432 -174.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -95.19 76.73 3.46 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.832 1.253 . . . . 0.0 109.448 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 95.7 t -47.65 -39.17 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -165.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -63.7 -60.38 3.38 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.965 0.906 . . . . 0.0 112.302 174.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -69.68 -49.58 52.2 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.449 0.7 . . . . 0.0 111.356 -174.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -27.85 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 124.395 1.078 . . . . 0.0 112.291 179.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.05 -42.27 8.91 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-N 119.24 0.927 . . . . 0.0 112.267 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.39 -41.31 93.12 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 118.014 0.907 . . . . 0.0 111.976 166.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -62.65 -55.62 25.25 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 118.159 0.979 . . . . 0.0 112.568 167.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.94 -42.23 65.24 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 121.346 1.884 . . . . 0.0 113.417 -177.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 28.0 tp -78.38 -54.63 5.98 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.737 0.815 . . . . 0.0 111.951 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.7 -44.78 97.01 Favored Glycine 0 CA--C 1.527 0.818 0 O-C-N 120.48 -1.388 . . . . 0.0 112.876 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -71.02 -10.3 59.52 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.487 1.515 . . . . 0.0 113.157 174.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -77.62 -44.48 28.13 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.274 1.397 . . . . 0.0 109.878 161.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.95 -25.44 67.88 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 120.526 -1.359 . . . . 0.0 113.336 175.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 5.0 m -75.18 -17.29 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-N 120.566 1.53 . . . . 0.0 115.068 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.56 2.97 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 CA-C-N 121.445 1.93 . . . . 0.0 113.778 -177.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 48.51 42.72 1.31 Allowed Pre-proline 0 CA--C 1.562 1.418 0 C-N-CA 125.884 1.674 . . . . 0.0 115.276 -163.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -75.63 168.06 25.17 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.566 2.844 . . . . 0.0 113.948 -173.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -24.67 65.08 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.617 1.339 . . . . 0.0 114.617 170.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 38' ' ' THR . . . . . 0.404 ' HB ' HBC2 ' D' ' 201' ' ' HEC . 26.0 p -61.1 -23.9 65.84 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 120.478 -1.388 . . . . 0.0 113.683 171.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -61.47 -9.05 4.86 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 120.886 -1.134 . . . . 0.0 113.443 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -53.47 -33.42 54.14 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 118.929 -2.357 . . . . 0.0 113.348 170.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -88.25 9.17 23.95 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -49.88 -29.07 7.48 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 175.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -55.25 -14.04 1.59 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.14 1.776 . . . . 0.0 115.178 171.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 50.2 m -108.09 16.06 23.68 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.89 2.076 . . . . 0.0 113.386 176.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -117.6 4.8 12.36 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.691 1.196 . . . . 0.0 113.644 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.97 -35.48 2.12 Favored Glycine 0 CA--C 1.535 1.309 0 N-CA-C 117.105 1.602 . . . . 0.0 117.105 162.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -141.44 -91.04 0.15 Allowed 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 119.277 1.539 . . . . 0.0 111.72 -176.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 43.99 1.04 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 120.143 3.386 . . . . 0.0 120.143 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -59.76 -21.57 60.93 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 120.37 1.441 . . . . 0.0 114.231 -167.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 62.9 p -124.35 157.45 64.67 Favored Pre-proline 0 N--CA 1.47 0.562 0 C-N-CA 125.287 1.435 . . . . 0.0 110.545 164.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -55.84 -40.52 84.65 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.867 2.378 . . . . 0.0 114.678 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.83 -39.63 92.46 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.628 -0.67 . . . . 0.0 111.958 175.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.37 99.25 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.82 -25.97 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-N 119.808 1.185 . . . . 0.0 113.385 178.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.6 -36.75 43.86 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.148 0.885 . . . . 0.0 112.901 174.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.19 -27.72 19.91 Favored Glycine 0 CA--C 1.536 1.344 0 N-CA-C 115.103 0.801 . . . . 0.0 115.103 -174.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.15 133.41 84.26 Favored Pre-proline 0 CA--C 1.557 1.222 0 CA-C-N 118.446 1.123 . . . . 0.0 113.528 -174.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.23 -32.71 16.12 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.741 2.294 . . . . 0.0 114.0 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -59.68 -45.74 91.16 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 120.444 1.474 . . . . 0.0 111.012 173.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.08 -37.16 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 119.403 1.001 . . . . 0.0 112.743 174.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -68.96 -49.48 57.58 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 120.042 1.292 . . . . 0.0 113.029 174.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.63 98.48 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.963 0.905 . . . . 0.0 112.463 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -68.16 -33.45 74.5 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.923 -1.111 . . . . 0.0 111.791 174.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.18 -48.68 58.54 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.997 1.761 . . . . 0.0 113.467 165.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -59.81 -42.62 93.87 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 117.865 0.833 . . . . 0.0 112.01 171.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -62.03 -54.41 41.86 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.302 0.955 . . . . 0.0 113.128 175.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 12.8 p -57.77 -46.88 86.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 119.859 1.209 . . . . 0.0 112.118 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 tt -69.19 -39.24 78.79 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.168 -0.957 . . . . 0.0 111.691 177.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.83 -39.51 47.69 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.357 1.456 . . . . 0.0 113.788 171.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.44 -50.34 70.15 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.342 1.071 . . . . 0.0 111.915 168.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -59.09 -34.94 72.58 Favored 'General case' 0 CA--C 1.553 1.086 0 O-C-N 120.411 -1.431 . . . . 0.0 114.117 175.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 98.3 p -74.51 -37.72 63.02 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.262 -1.524 . . . . 0.0 113.445 173.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -56.98 -32.48 66.12 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.403 1.001 . . . . 0.0 111.696 164.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.1 -60.33 9.17 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 123.699 0.666 . . . . 0.0 111.857 170.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 mt -58.66 -26.85 64.22 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.82 -18.64 43.29 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 173.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -140.4 34.48 1.86 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.942 1.297 . . . . 0.0 113.234 -170.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 84.8 mt -55.87 -21.66 21.19 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -57.69 -33.13 68.04 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.122 1.369 . . . . 0.0 114.435 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -162.15 65.49 0.23 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.423 1.01 . . . . 0.0 113.166 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 98.5 mt -45.8 -46.6 15.49 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.838 1.255 . . . . 0.0 113.758 -175.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -4.37 3.56 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 178.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.85 -10.36 52.68 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 125.433 1.492 . . . . 0.0 114.502 172.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 3.4 m -119.06 -28.7 5.44 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.952 1.301 . . . . 0.0 111.982 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -90.48 -4.68 56.79 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.257 1.023 . . . . 0.0 113.667 -177.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.92 -37.95 61.33 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 115.67 1.729 . . . . 0.0 115.67 -165.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 19.4 p -62.98 -41.7 99.63 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.065 0.946 . . . . 0.0 112.29 173.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 50.8 mt -66.98 -42.67 84.67 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 124.188 0.995 . . . . 0.0 110.956 171.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 7.0 m -61.86 -37.97 86.52 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.41 1.459 . . . . 0.0 112.51 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.66 -51.31 65.7 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.939 0.896 . . . . 0.0 111.949 171.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 21.6 tp -50.3 -52.77 33.75 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.246 -0.909 . . . . 0.0 111.354 171.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -71.34 9.02 0.86 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.211 1.404 . . . . 0.0 114.762 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 43.7 t -131.74 -69.99 0.59 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.241 1.016 . . . . 0.0 110.699 173.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.72 -16.73 64.05 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.196 1.398 . . . . 0.0 114.295 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.12 -37.08 5.67 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.257 1.023 . . . . 0.0 112.574 166.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 12.5 mt -133.61 51.62 2.13 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 124.644 1.178 . . . . 0.0 113.745 -166.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -62.09 25.69 0.01 OUTLIER 'General case' 0 CA--C 1.567 1.621 0 C-N-CA 127.24 2.216 . . . . 0.0 116.753 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 9.3 m -55.63 155.98 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.767 1.627 . . . . 0.0 113.372 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -56.33 136.67 75.7 Favored Pre-proline 0 CA--C 1.558 1.259 0 O-C-N 120.649 -1.282 . . . . 0.0 113.257 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -44.65 -32.8 6.18 Favored 'Trans proline' 0 CA--C 1.545 1.07 0 C-N-CA 124.077 3.185 . . . . 0.0 116.206 173.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.38 -32.26 69.98 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 119.979 -1.7 . . . . 0.0 113.029 175.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -57.76 -38.23 75.02 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.035 -1.04 . . . . 0.0 111.697 175.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -68.62 -45.86 70.78 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.669 1.188 . . . . 0.0 111.012 174.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -38.39 69.9 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 118.847 -0.596 . . . . 0.0 112.229 172.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -49.96 67.78 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.509 1.049 . . . . 0.0 111.64 177.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.07 -46.6 78.94 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 122.799 0.44 . . . . 0.0 110.415 174.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.92 -44.27 96.21 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.628 1.109 . . . . 0.0 115.025 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.6 -46.06 91.65 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.647 1.224 . . . . 0.0 111.282 174.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.59 -37.08 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 O-C-N 121.203 -0.936 . . . . 0.0 113.039 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 57.0 tp -57.38 -57.07 14.28 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.187 0.903 . . . . 0.0 110.425 171.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 111' ' ' VAL . . . . . 0.479 HG12 ' HB3' ' D' ' 130' ' ' TYR . 16.9 m -63.45 -28.76 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 119.824 1.193 . . . . 0.0 113.432 -178.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 6.3 m -53.66 -64.09 0.94 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 117.766 -1.111 . . . . 0.0 111.41 167.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 2.9 p -51.46 -36.84 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 119.994 1.27 . . . . 0.0 113.392 -173.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.12 -47.82 81.15 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.59 -0.694 . . . . 0.0 110.824 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.54 12.99 0.52 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.119 1.367 . . . . 0.0 113.805 173.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -118.41 -53.1 2.35 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.873 1.269 . . . . 0.0 110.163 177.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 -69.75 -31.38 69.31 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.599 -0.688 . . . . 0.0 112.578 172.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -119.05 32.87 5.9 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.57 1.548 . . . . 0.0 110.885 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -57.03 -31.73 61.92 Favored Glycine 0 CA--C 1.539 1.541 0 O-C-N 120.755 -1.216 . . . . 0.0 114.651 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -66.7 -16.07 63.96 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.702 1.201 . . . . 0.0 113.851 171.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -109.72 14.75 23.18 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 127.198 2.199 . . . . 0.0 111.711 -174.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -65.55 83.58 0.06 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.52 1.528 . . . . 0.0 112.547 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.91 158.22 84.22 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 124.32 1.048 . . . . 0.0 112.216 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 124' ' ' PRO . . . . . 0.496 ' CB ' ' HD3' ' D' ' 125' ' ' PRO 0.386 3.3 Cg_exo -27.96 -91.88 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.028 1 C-N-CA 126.971 5.114 . . . . 0.0 118.544 -169.28 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' D' D ' 125' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' D' ' 124' ' ' PRO . 23.5 Cg_exo -83.03 25.9 0.67 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 CA-C-N 124.513 2.647 . . . . 0.0 116.928 169.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 6.2 p -51.79 -41.15 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 CA-C-N 122.272 2.306 . . . . 0.0 114.448 -168.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -59.18 -48.21 82.44 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.31 0.959 . . . . 0.0 111.366 173.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 128' ' ' ALA . . . . . 0.403 ' HB2' ' HA ' ' C' ' 35' ' ' SER . . . -63.46 -37.13 86.13 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.251 1.021 . . . . 0.0 112.882 178.152 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.36 -51.72 64.75 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.581 0.752 . . . . 0.0 110.364 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 130' ' ' TYR . . . . . 0.479 ' HB3' HG12 ' D' ' 111' ' ' VAL . 34.8 m-85 -57.66 -46.96 83.57 Favored 'General case' 0 C--O 1.222 -0.346 0 O-C-N 121.43 -0.793 . . . . 0.0 112.059 169.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -56.65 -33.1 66.01 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 119.948 1.249 . . . . 0.0 113.174 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -68.11 -45.28 74.11 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 120.435 1.47 . . . . 0.0 113.975 172.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 4.3 p -67.49 -38.46 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-N 120.342 1.428 . . . . 0.0 111.668 173.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.33 -45.1 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 124.739 1.216 . . . . 0.0 111.656 175.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.63 97.84 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.89 0.876 . . . . 0.0 112.063 172.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.19 -46.58 85.44 Favored Glycine 0 N--CA 1.474 1.188 0 O-C-N 121.785 -0.572 . . . . 0.0 112.943 172.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 51.5 t -65.98 -44.3 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.028 0.931 . . . . 0.0 111.907 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.14 -47.96 77.16 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.148 0.886 . . . . 0.0 111.584 173.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -65.04 -38.19 90.05 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.088 0.955 . . . . 0.0 113.003 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.25 -43.29 91.81 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.114 0.966 . . . . 0.0 112.528 175.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.18 -38.15 89.61 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.908 -1.12 . . . . 0.0 112.053 171.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.94 -5.27 16.2 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 170.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -55.96 -44.84 78.86 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 119.853 -1.78 . . . . 0.0 112.884 -175.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -66.19 -3.1 5.02 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -77.49 -21.84 52.19 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.202 1.001 . . . . 0.0 111.689 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 73.0 m80 . . . . . 0 C--O 1.256 1.407 0 C-N-CA 126.191 1.796 . . . . 0.0 112.575 175.544 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.527 HMA1 ' HB2' ' A' ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 201' ' ' HEC . . . . . 0.505 ' HHC' HBB3 ' B' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 201' ' ' HEC . . . . . 0.519 HMA1 ' HB2' ' C' ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 201' ' ' HEC . . . . . 0.503 ' HHC' HBB3 ' D' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.5 m . . . . . 0 N--CA 1.515 2.823 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mp -142.64 -161.71 1.29 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.344 1.458 . . . . 0.0 111.165 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.9 p -115.51 153.09 47.7 Favored Pre-proline 0 N--CA 1.483 1.186 0 CA-C-N 120.178 1.354 . . . . 0.0 112.755 -172.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.33 -35.89 22.5 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.002 1.802 . . . . 0.0 113.763 -162.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.15 77.51 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 177.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.32 -44.39 79.25 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.041 0.837 . . . . 0.0 111.314 174.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -54.64 -48.19 72.58 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.603 0.638 . . . . 0.0 110.956 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.1 m -54.07 -47.93 71.15 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.77 0.828 . . . . 0.0 112.295 176.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -78.39 -28.19 46.9 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.1 -48.89 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-N 119.501 1.046 . . . . 0.0 110.2 167.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -58.06 -47.02 84.43 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.92 0.782 . . . . 0.0 111.27 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.89 -53.45 58.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.283 0.633 . . . . 0.0 112.101 177.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.53 -52.12 66.99 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.873 0.869 . . . . 0.0 112.061 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -65.83 -26.74 67.81 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.592 -0.692 . . . . 0.0 112.844 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.28 -40.83 97.94 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.566 1.079 . . . . 0.0 113.582 169.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -67.84 -37.75 82.29 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 118.551 1.175 . . . . 0.0 111.533 173.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 67.0 t -67.45 -24.5 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.997 1.719 . . . . 0.0 113.666 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.18 121.91 1.1 Allowed Glycine 0 CA--C 1.541 1.682 0 C-N-CA 125.103 1.335 . . . . 0.0 114.054 175.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 84.48 -31.89 0.07 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 129.658 3.183 . . . . 0.0 114.562 -175.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -88.08 -6.35 57.98 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.466 1.106 . . . . 0.0 113.158 170.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -46.4 -53.04 11.79 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.835 1.654 . . . . 0.0 113.662 -176.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.31 -36.58 89.67 Favored Glycine 0 N--CA 1.471 0.969 0 O-C-N 121.676 -0.64 . . . . 0.0 114.013 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.6 -43.75 84.93 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.329 1.452 . . . . 0.0 111.773 170.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -74.28 -36.22 63.78 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.717 -1.239 . . . . 0.0 113.566 176.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.66 -49.05 72.71 Favored Glycine 0 CA--C 1.533 1.198 0 CA-C-N 119.419 1.009 . . . . 0.0 111.54 168.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.8 -52.07 66.99 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.287 1.035 . . . . 0.0 111.752 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -64.71 -33.97 77.21 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.222 0.919 . . . . 0.0 112.312 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.1 -38.19 78.8 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.861 -1.149 . . . . 0.0 112.488 175.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.0 mt -62.6 -47.99 81.39 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.9 0.88 . . . . 0.0 111.091 169.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -59.03 -45.96 89.41 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.041 0.936 . . . . 0.0 111.512 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -51.36 -55.6 17.61 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.814 1.246 . . . . 0.0 111.874 169.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -54.32 -41.67 69.26 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.319 1.048 . . . . 0.0 112.724 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -65.31 -24.64 67.33 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 176.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -115.09 -13.19 11.85 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -173.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.1 p -75.96 -40.12 54.6 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.073 0.949 . . . . 0.0 111.768 161.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -131.83 81.57 62.68 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 126.0 1.72 . . . . 0.0 110.94 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -52.2 -15.88 4.12 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 124.618 3.546 . . . . 0.0 116.903 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.1 p -53.58 -44.32 69.26 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.41 1.084 . . . . 0.0 112.189 167.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.7 p -59.71 -27.85 66.82 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -177.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -53.3 -35.35 60.03 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.444 1.02 . . . . 0.0 112.133 170.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.58 -20.74 66.43 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 178.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.43 -18.26 65.26 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.447 -0.783 . . . . 0.0 113.07 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.2 79.06 10.02 Favored Pre-proline 0 CA--C 1.552 1.047 0 CA-C-N 119.412 1.006 . . . . 0.0 112.217 174.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.48 24.3 0.28 Allowed 'Trans proline' 0 CA--C 1.553 1.429 0 C-N-CA 125.079 3.853 . . . . 0.0 115.767 -168.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.16 -11.3 4.69 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.927 1.691 . . . . 0.0 113.063 176.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -76.91 123.58 26.49 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.641 0.776 . . . . 0.0 112.211 -168.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -81.85 62.88 5.85 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.19 0.996 . . . . 0.0 111.621 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 pp -65.55 22.32 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 126.735 2.014 . . . . 0.0 115.768 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 m -58.13 160.32 5.06 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.22 1.808 . . . . 0.0 112.855 173.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -57.9 123.94 17.54 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.066 -1.021 . . . . 0.0 110.971 173.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.09 7.1 66.13 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-O 119.048 -0.862 . . . . 0.0 115.216 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.8 t -53.84 108.17 0.33 Allowed 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.058 1.429 . . . . 0.0 114.276 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.9 -32.93 64.18 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.164 0.986 . . . . 0.0 112.516 170.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -66.03 -44.27 85.16 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.09 0.556 . . . . 0.0 111.337 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.07 -35.77 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.536 174.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -63.38 -47.02 83.79 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 120.217 1.371 . . . . 0.0 111.958 174.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.06 -51.57 56.02 Favored Glycine 0 N--CA 1.47 0.945 0 C-N-CA 124.191 0.901 . . . . 0.0 112.259 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -57.89 -41.78 83.29 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.777 -0.837 . . . . 0.0 111.496 173.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.95 -51.1 51.97 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 124.512 1.053 . . . . 0.0 113.712 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -54.48 -43.67 71.93 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 118.651 1.225 . . . . 0.0 112.391 172.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -65.93 -48.57 70.93 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.001 0.818 . . . . 0.0 112.307 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.8 t -54.7 -47.72 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 119.053 0.842 . . . . 0.0 111.033 172.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.43 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -67.75 -40.63 84.1 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -64.16 -37.31 87.01 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.233 -0.917 . . . . 0.0 111.875 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HB2' HMA1 ' A' ' 201' ' ' HEC . . . -63.11 -35.36 80.02 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.484 -0.76 . . . . 0.0 112.991 168.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mt -63.41 -45.28 91.71 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.224 0.92 . . . . 0.0 111.604 168.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.4 m -55.28 -45.87 76.18 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 120.286 1.403 . . . . 0.0 111.9 172.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -61.49 -43.98 97.9 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.996 1.319 . . . . 0.0 112.258 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.04 -50.51 70.74 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.53 -0.731 . . . . 0.0 111.412 170.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.99 -42.46 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.898 0.879 . . . . 0.0 112.055 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.91 -23.79 67.48 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 178.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -134.05 25.11 3.92 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.059 1.343 . . . . 0.0 112.699 -171.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.7 p -60.21 -25.6 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -169.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -71.99 -21.72 61.53 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 120.89 -1.131 . . . . 0.0 113.863 173.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -128.16 24.29 5.97 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 127.602 2.361 . . . . 0.0 111.95 -173.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.2 ttp -51.93 -36.14 27.89 Favored Pre-proline 0 CA--C 1.548 0.883 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -171.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.52 46.6 0.47 Allowed 'Trans proline' 0 CA--C 1.556 1.584 0 C-N-CA 124.403 3.402 . . . . 0.0 114.584 168.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -157.81 -39.05 0.07 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 128.588 2.755 . . . . 0.0 109.464 168.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.41 77.81 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.342 1.057 . . . . 0.0 113.833 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.9 mt -100.36 9.47 42.61 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -175.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 56.6 m -58.13 -31.81 67.54 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -177.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.41 70.26 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 120.849 -1.157 . . . . 0.0 112.973 171.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.2 mt -81.36 -35.04 31.33 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.259 1.023 . . . . 0.0 111.679 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 p -59.66 -43.7 93.83 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 118.727 -0.654 . . . . 0.0 110.458 167.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.65 -49.4 75.14 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.612 1.565 . . . . 0.0 112.385 173.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 tp -47.95 -67.19 0.3 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.723 1.209 . . . . 0.0 110.528 170.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -27.51 68.48 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -171.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.48 -41.7 69.01 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.773 0.829 . . . . 0.0 111.782 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -73.07 -45.55 56.66 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.429 0.692 . . . . 0.0 112.608 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.55 157.56 32.27 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.294 1.438 . . . . 0.0 112.216 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.9 mt 51.74 68.47 0.8 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.654 1.182 . . . . 0.0 113.102 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -63.06 13.52 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 118.042 2.608 . . . . 0.0 118.042 -170.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.0 t 25.37 86.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 129.524 3.13 . . . . 0.0 115.131 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -41.36 122.18 2.12 Favored Pre-proline 0 CA--C 1.549 0.911 0 C-N-CA 123.729 0.812 . . . . 0.0 111.099 164.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -40.8 -32.15 0.82 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 124.622 3.548 . . . . 0.0 116.014 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.4 p -50.56 -41.49 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 120.371 1.441 . . . . 0.0 111.484 174.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -74.36 -28.75 61.27 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 123.693 0.797 . . . . 0.0 111.349 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -57.32 -52.97 63.18 Favored 'General case' 0 C--N 1.344 0.346 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.081 162.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -56.83 -45.12 82.56 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.386 0.994 . . . . 0.0 110.291 -174.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.34 -61.15 2.68 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.251 1.02 . . . . 0.0 111.305 173.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 67.2 tp -57.75 -42.74 84.55 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.333 0.97 . . . . 0.0 112.162 -177.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.7 t -56.66 -53.64 55.31 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 124.757 1.223 . . . . 0.0 110.959 177.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -58.67 -46.83 86.35 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.937 0.495 . . . . 0.0 111.592 177.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 88.5 m -60.46 -39.96 89.45 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.77 0.828 . . . . 0.0 112.468 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.6 mt -61.59 -52.51 64.11 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 119.351 0.978 . . . . 0.0 110.664 173.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 17.9 mt -51.85 -47.49 64.39 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.526 0.73 . . . . 0.0 111.202 176.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.5 t -57.77 -50.13 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.21 1.004 . . . . 0.0 111.942 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.8 m -64.77 -37.05 86.3 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.21 0.914 . . . . 0.0 112.267 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.7 mt -64.03 -43.78 94.5 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.703 1.138 . . . . 0.0 111.954 172.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.86 -32.61 65.99 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 175.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.35 -6.13 22.65 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 175.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 -34.58 0.82 Allowed 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 -174.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.0 mp -67.21 158.4 81.77 Favored Pre-proline 0 CA--C 1.554 1.115 0 CA-C-N 119.338 0.972 . . . . 0.0 112.727 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -54.8 -32.99 79.39 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 123.927 3.084 . . . . 0.0 115.474 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.95 -53.39 0.2 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.537 1.135 . . . . 0.0 112.183 175.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 65.61 -32.03 0.15 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 127.135 2.174 . . . . 0.0 114.442 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -75.23 -5.23 43.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.011 1.725 . . . . 0.0 115.434 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.81 156.8 6.18 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 123.766 0.826 . . . . 0.0 111.01 -176.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.31 -46.35 22.1 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 121.271 1.314 . . . . 0.0 113.47 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.7 -12.31 60.39 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.5 t -104.3 -46.46 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 119.638 1.108 . . . . 0.0 111.801 175.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.578 ' CD2' HH21 ' B' ' 30' ' ' ARG . 4.1 t-80 -72.35 -40.23 67.53 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 121.234 1.834 . . . . 0.0 113.218 -175.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.93 -54.14 50.23 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.511 1.05 . . . . 0.0 110.321 166.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.4 t -49.9 -57.62 7.09 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.08 1.352 . . . . 0.0 113.438 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.63 -39.17 80.88 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 118.712 -0.661 . . . . 0.0 111.361 -176.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.42 -53.99 46.78 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.621 1.1 . . . . 0.0 112.022 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -33.3 75.52 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 119.082 -0.485 . . . . 0.0 111.269 178.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -62.71 -53.72 50.15 Favored 'General case' 0 CA--C 1.526 0.05 0 CA-C-N 119.123 0.874 . . . . 0.0 111.61 173.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 33.7 mt -60.89 -36.56 79.55 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.416 1.007 . . . . 0.0 112.175 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.14 -32.03 72.58 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.188 0.904 . . . . 0.0 113.411 171.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.7 m -77.31 -37.06 53.44 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.389 -1.445 . . . . 0.0 112.888 171.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.95 -51.64 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 119.135 0.879 . . . . 0.0 109.414 171.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 86.8 p -64.83 -40.64 95.52 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 118.238 -0.887 . . . . 0.0 113.196 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.3 m -48.94 -50.85 33.46 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.607 1.094 . . . . 0.0 111.203 169.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 91.6 t -65.88 -40.83 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 O-C-N 121.205 -0.935 . . . . 0.0 111.225 177.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -24.19 67.28 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 4.1 t -102.04 -17.25 16.15 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.687 1.195 . . . . 0.0 113.109 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 10.9 t -63.29 172.65 1.83 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.507 1.123 . . . . 0.0 112.372 165.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -125.72 127.09 45.67 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.317 1.447 . . . . 0.0 110.511 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -149.93 101.42 3.03 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.305 1.442 . . . . 0.0 109.921 -176.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 . . . . . 0 C--O 1.255 1.354 0 C-N-CA 127.353 2.261 . . . . 0.0 114.479 -175.699 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.301 2.4 p . . . . . 0 N--CA 1.51 2.529 0 CA-C-O 116.876 -1.535 . . . . 0.0 113.285 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 64.1 t60 13.5 85.36 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 128.145 2.578 . . . . 0.0 116.054 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.51 157.05 17.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.229 0.612 . . . . 0.0 110.841 177.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 7.8 p -64.3 154.6 82.75 Favored Pre-proline 0 N--CA 1.48 1.046 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.498 165.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -54.21 -39.33 86.85 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 122.468 2.112 . . . . 0.0 113.633 174.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -67.11 -46.0 75.47 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.534 0.734 . . . . 0.0 111.839 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.13 -38.86 79.07 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.791 178.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -54.23 -51.63 63.86 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.79 1.177 . . . . 0.0 110.745 168.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.6 t -54.87 -45.74 74.65 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.678 0.672 . . . . 0.0 111.331 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.69 -52.44 64.91 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.222 1.009 . . . . 0.0 113.128 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.1 p -66.46 -56.04 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.786 1.175 . . . . 0.0 112.168 176.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -67.36 -33.97 76.34 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.577 1.081 . . . . 0.0 112.686 -169.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.08 -38.27 78.92 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.69 1.132 . . . . 0.0 112.366 175.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.66 -39.8 88.34 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.852 -1.155 . . . . 0.0 110.748 172.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' TRP . . . . . 0.424 ' HE1' ' HB3' ' B' ' 72' ' ' SER . 0.2 OUTLIER -63.97 -6.97 7.04 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 115.197 1.555 . . . . 0.0 115.197 167.032 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.71 -39.73 8.64 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.93 1.252 . . . . 0.0 113.443 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.43 -10.33 38.39 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 175.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 p -53.28 139.24 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.502 1.121 . . . . 0.0 112.954 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -88.27 93.63 9.57 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 169.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.525 HG13 HD22 ' B' ' 68' ' ' LEU . 49.8 t -52.95 -39.02 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.457 1.103 . . . . 0.0 113.306 -174.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -72.04 -31.18 65.91 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -97.47 -42.36 7.75 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.116 0.871 . . . . 0.0 112.24 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -31.51 53.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 119.359 0.982 . . . . 0.0 111.269 168.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.15 -49.22 54.76 Favored Glycine 0 C--N 1.341 0.808 0 CA-C-N 120.072 1.306 . . . . 0.0 111.439 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.77 -47.95 88.43 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 117.362 0.581 . . . . 0.0 112.666 174.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -67.8 -35.29 78.38 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 117.439 -1.267 . . . . 0.0 112.462 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.14 -56.39 17.19 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 122.009 2.186 . . . . 0.0 110.715 175.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 tp -68.73 -36.78 78.85 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 121.634 -0.666 . . . . 0.0 111.479 -176.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.65 -51.6 57.66 Favored Glycine 0 CA--C 1.527 0.833 0 O-C-N 121.42 -0.8 . . . . 0.0 112.543 170.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.578 HH21 ' CD2' ' A' ' 122' ' ' HIS . 31.1 ttt180 -56.0 -23.36 32.3 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.795 1.638 . . . . 0.0 113.565 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.479 ' HA ' HG21 ' B' ' 109' ' ' VAL . 47.7 tp -65.09 -57.74 7.85 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.721 1.146 . . . . 0.0 110.256 167.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.18 -31.13 71.32 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.51 -0.744 . . . . 0.0 112.068 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.485 HG22 ' HA ' ' B' ' 30' ' ' ARG . 2.2 m -66.29 -8.0 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 176.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.9 -2.53 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 120.783 1.629 . . . . 0.0 112.69 171.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 56.38 41.5 0.79 Allowed Pre-proline 0 CA--C 1.564 1.499 0 O-C-N 120.941 -1.099 . . . . 0.0 113.247 -166.092 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -76.45 162.45 33.38 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.471 2.781 . . . . 0.0 113.06 -170.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 5.5 p90 -60.27 -25.37 65.65 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 120.91 -1.119 . . . . 0.0 113.805 168.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 42.2 p -55.72 -28.81 57.76 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.86 0.864 . . . . 0.0 112.948 172.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -58.45 -21.29 50.63 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.58 1.552 . . . . 0.0 113.208 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -27.8 18.2 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-N 120.297 1.408 . . . . 0.0 113.361 173.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.09 13.09 36.3 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.5 -8.6 27.56 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 176.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -49.95 -27.14 4.91 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.899 1.28 . . . . 0.0 114.349 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 49.6 p -96.18 -24.47 16.25 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.268 1.427 . . . . 0.0 114.34 172.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.61 -40.09 92.23 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.411 1.485 . . . . 0.0 112.009 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.98 -175.49 34.99 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 123.989 0.804 . . . . 0.0 114.846 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 43.61 -110.62 0.17 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.642 1.977 . . . . 0.0 111.997 -166.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 tt 60.38 -17.32 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 128.039 2.536 . . . . 0.0 117.504 174.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 14.1 t -49.38 -28.52 5.13 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.299 1.84 . . . . 0.0 113.58 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 81.4 p -125.5 150.77 68.9 Favored Pre-proline 0 N--CA 1.472 0.642 0 C-N-CA 123.173 0.589 . . . . 0.0 110.394 149.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -66.12 -26.08 50.41 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.493 2.129 . . . . 0.0 113.67 173.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -57.68 -38.85 75.84 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.838 -1.164 . . . . 0.0 111.323 167.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.61 -38.35 77.21 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 118.288 -0.863 . . . . 0.0 112.528 170.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.6 -41.44 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 CA-C-N 121.289 1.859 . . . . 0.0 113.006 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 25.3 ptp -77.77 -18.48 56.39 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 177.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -96.17 -23.43 17.22 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.454 1.026 . . . . 0.0 114.764 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -52.49 117.13 9.96 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 126.534 1.934 . . . . 0.0 112.012 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -47.7 -40.39 31.04 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.985 3.123 . . . . 0.0 114.582 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -65.04 -41.84 94.84 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.61 0.764 . . . . 0.0 111.897 176.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 86.0 t -69.09 -34.62 64.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 119.54 1.064 . . . . 0.0 111.866 175.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -64.4 -45.7 86.5 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 120.299 1.409 . . . . 0.0 111.628 170.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.39 -49.89 75.07 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.236 1.014 . . . . 0.0 112.789 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -33.18 75.04 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.68 -1.262 . . . . 0.0 112.925 173.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.31 -53.03 43.5 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 124.192 0.901 . . . . 0.0 111.899 167.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.6 -40.34 75.13 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 118.025 0.912 . . . . 0.0 112.463 172.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -67.14 -54.89 17.11 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.293 1.037 . . . . 0.0 113.413 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 17.6 m -59.18 -36.76 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 120.317 1.417 . . . . 0.0 111.452 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.525 HD22 HG13 ' B' ' 20' ' ' VAL . 7.0 tt -66.03 -41.24 91.16 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.507 1.123 . . . . 0.0 111.944 172.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.22 -37.08 78.56 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.164 1.364 . . . . 0.0 113.323 176.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.59 -44.55 93.68 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.609 -0.936 . . . . 0.0 112.376 169.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -59.72 -43.16 94.27 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 120.889 -1.132 . . . . 0.0 112.496 173.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' SER . . . . . 0.424 ' HB3' ' HE1' ' B' ' 15' ' ' TRP . 94.6 p -68.98 -40.39 78.85 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.711 1.141 . . . . 0.0 112.847 177.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -57.12 -34.75 68.67 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.889 0.768 . . . . 0.0 111.584 167.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.78 -60.66 8.33 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.664 1.126 . . . . 0.0 112.204 169.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.85 -29.95 69.82 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.059 1.43 . . . . 0.0 114.005 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.94 -27.58 64.87 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 172.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -143.73 49.46 1.39 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.555 1.542 . . . . 0.0 112.716 -170.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.08 -20.81 56.79 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.836 -1.165 . . . . 0.0 113.724 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -66.19 -24.27 66.6 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.135 1.374 . . . . 0.0 114.235 173.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -88.07 -73.28 0.49 Allowed 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 118.924 0.784 . . . . 0.0 111.662 -173.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 50.9 22.17 1.12 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 175.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -147.35 -61.02 0.28 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 126.072 1.749 . . . . 0.0 110.355 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.51 -30.26 60.49 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.323 0.964 . . . . 0.0 114.337 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -28.73 66.14 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.294 1.438 . . . . 0.0 113.522 174.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -122.69 12.35 9.89 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.503 1.121 . . . . 0.0 113.391 -174.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.34 -30.08 66.44 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 120.021 1.282 . . . . 0.0 114.357 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 20.7 p -71.22 -39.76 71.53 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.243 1.017 . . . . 0.0 112.366 170.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 16.9 mt -74.25 -40.12 62.57 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.743 1.217 . . . . 0.0 111.588 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 98.4 p -59.37 -52.66 64.68 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 123.348 0.659 . . . . 0.0 109.408 173.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -56.66 -45.54 81.61 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.985 0.914 . . . . 0.0 113.305 174.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.5 -64.13 0.97 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.139 0.882 . . . . 0.0 111.469 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -72.27 -19.72 61.64 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 118.107 -0.949 . . . . 0.0 112.645 -174.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 1.3 p -88.06 -27.61 21.87 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.517 1.508 . . . . 0.0 114.391 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -114.98 -30.67 6.32 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.741 1.155 . . . . 0.0 112.82 -172.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -27.51 35.49 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.419 0.687 . . . . 0.0 112.487 170.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 6.2 mt -129.3 -36.33 1.72 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.324 1.05 . . . . 0.0 113.818 -173.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 49.33 25.65 1.34 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.097 2.159 . . . . 0.0 115.843 -171.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 2.8 m -59.01 143.05 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.378 1.071 . . . . 0.0 113.308 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.64 141.66 97.93 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 125.878 1.671 . . . . 0.0 114.579 -169.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -51.45 -35.24 54.4 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 124.124 3.216 . . . . 0.0 117.832 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -58.57 -27.03 64.22 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.778 -1.201 . . . . 0.0 112.924 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -61.18 -37.7 83.87 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.699 0.8 . . . . 0.0 111.712 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.05 -47.19 72.11 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.719 0.808 . . . . 0.0 110.223 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 60.8 mtm-85 -56.94 -46.43 82.07 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.925 174.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 mt -54.39 -50.81 66.67 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.716 0.806 . . . . 0.0 113.061 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 tt -58.27 -41.53 84.51 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.401 0.68 . . . . 0.0 111.088 174.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -60.64 -48.94 83.74 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 121.076 -1.015 . . . . 0.0 114.673 174.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -59.12 -43.4 91.93 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.313 -1.11 . . . . 0.0 110.46 174.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.479 HG21 ' HA ' ' B' ' 31' ' ' LEU . 9.7 t -58.12 -47.96 85.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 124.202 1.001 . . . . 0.0 112.194 174.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 35.5 tp -56.07 -52.5 64.06 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 119.035 0.834 . . . . 0.0 110.959 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.495 HG12 ' HB3' ' B' ' 130' ' ' TYR . 5.7 m -64.56 -29.82 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 O-C-N 121.463 -0.773 . . . . 0.0 111.441 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.01 -35.57 64.4 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.361 -0.837 . . . . 0.0 112.814 176.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.88 -36.45 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 119.79 -1.819 . . . . 0.0 111.529 169.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.68 -37.0 85.72 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.532 0.605 . . . . 0.0 110.907 174.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.09 75.64 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 170.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -66.05 -59.49 3.75 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.08 0.855 . . . . 0.0 112.005 170.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -68.27 -28.28 67.06 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -171.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -128.74 22.69 5.84 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.12 0.968 . . . . 0.0 113.093 -170.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -43.89 -36.8 3.85 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.65 1.595 . . . . 0.0 116.589 -176.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -60.59 -24.29 65.35 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 125.598 1.559 . . . . 0.0 114.335 174.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -122.14 -8.86 8.72 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.188 2.195 . . . . 0.0 112.491 -174.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -80.51 70.06 7.13 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.439 1.496 . . . . 0.0 112.211 -172.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 32.4 p -63.59 160.3 44.86 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.402 1.081 . . . . 0.0 113.045 -175.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -47.4 -52.61 7.66 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.889 2.392 . . . . 0.0 115.142 167.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.64 -26.95 68.94 Favored 'Trans proline' 0 C--N 1.353 0.782 0 CA-C-N 121.522 1.579 . . . . 0.0 113.701 177.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -49.95 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 120.526 1.512 . . . . 0.0 110.835 171.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -36.95 85.99 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.754 -1.216 . . . . 0.0 111.857 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.12 94.84 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 171.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.71 -53.43 56.17 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.844 0.858 . . . . 0.0 111.385 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.495 ' HB3' HG12 ' B' ' 111' ' ' VAL . 36.5 m-85 -55.72 -44.4 77.45 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 122.005 -0.435 . . . . 0.0 111.576 172.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -58.48 -40.23 82.19 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 176.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -63.4 -42.96 98.79 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 120.789 1.631 . . . . 0.0 113.401 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 2.8 p -70.44 -36.06 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 CA-C-N 119.555 1.07 . . . . 0.0 112.183 173.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 9.5 t -57.6 -49.16 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.287 0.949 . . . . 0.0 112.027 170.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.67 -46.81 86.39 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.797 0.839 . . . . 0.0 110.647 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.44 -54.14 25.41 Favored Glycine 0 CA--C 1.531 1.089 0 CA-C-O 119.587 -0.563 . . . . 0.0 112.922 169.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.83 -40.73 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 118.609 1.204 . . . . 0.0 112.548 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.11 71.84 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.562 -0.711 . . . . 0.0 111.945 177.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -61.95 -36.22 80.78 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.862 0.755 . . . . 0.0 112.138 174.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.69 -43.24 84.94 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.15 0.98 . . . . 0.0 112.377 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -43.31 99.11 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.324 -0.86 . . . . 0.0 110.047 171.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.23 -4.57 5.37 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 174.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -54.48 -39.57 67.63 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.142 -1.599 . . . . 0.0 113.375 -177.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -66.87 -10.55 49.46 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -98.76 -7.16 28.05 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.609 1.164 . . . . 0.0 113.828 -168.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 . . . . . 0 C--O 1.253 1.285 0 C-N-CA 124.511 1.124 . . . . 0.0 113.749 -163.224 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 30.2 m . . . . . 0 N--CA 1.516 2.854 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 mp -142.82 -161.76 1.31 Allowed 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 125.3 1.44 . . . . 0.0 111.159 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 96.4 p -115.5 153.14 47.7 Favored Pre-proline 0 N--CA 1.482 1.131 0 CA-C-N 120.331 1.423 . . . . 0.0 112.751 -172.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.42 -35.83 22.28 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.884 1.723 . . . . 0.0 113.686 -162.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.65 -34.15 77.54 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 177.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.45 -44.26 79.1 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 118.951 0.796 . . . . 0.0 111.324 174.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -54.78 -48.0 73.25 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.635 0.652 . . . . 0.0 111.034 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 69.3 m -54.19 -47.91 71.55 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.738 0.815 . . . . 0.0 112.187 176.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -78.31 -28.44 47.4 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.89 -48.89 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.551 1.068 . . . . 0.0 110.294 167.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -58.18 -46.91 84.94 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 118.836 0.743 . . . . 0.0 111.284 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.89 -53.33 59.62 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.228 0.611 . . . . 0.0 112.163 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.67 -52.03 67.44 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.85 0.86 . . . . 0.0 112.034 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -65.85 -26.9 67.86 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.02 -40.84 97.55 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.556 1.074 . . . . 0.0 113.689 169.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 47.1 mmtt -67.85 -37.88 82.43 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 118.594 1.197 . . . . 0.0 111.595 173.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 67.2 t -67.37 -24.35 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.922 1.689 . . . . 0.0 113.679 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.37 122.07 1.18 Allowed Glycine 0 CA--C 1.542 1.766 0 C-N-CA 125.137 1.351 . . . . 0.0 114.034 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 84.25 -31.85 0.07 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 129.507 3.123 . . . . 0.0 114.676 -175.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -88.1 -6.36 57.95 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.524 1.13 . . . . 0.0 113.19 170.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -46.46 -52.98 12.04 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.813 1.645 . . . . 0.0 113.629 -176.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.42 -36.56 89.1 Favored Glycine 0 N--CA 1.47 0.964 0 O-C-N 121.753 -0.592 . . . . 0.0 113.947 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -57.61 -43.79 84.99 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.376 1.47 . . . . 0.0 111.754 170.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -74.06 -36.56 64.35 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.71 -1.244 . . . . 0.0 113.564 176.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.37 -49.39 69.1 Favored Glycine 0 CA--C 1.529 0.948 0 CA-C-N 119.396 0.998 . . . . 0.0 111.729 168.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.99 -50.38 73.59 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.151 0.98 . . . . 0.0 112.118 175.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -66.14 -33.58 76.09 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.136 -0.978 . . . . 0.0 112.321 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.16 -38.05 78.55 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.094 -1.004 . . . . 0.0 112.593 175.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 55.7 mt -62.69 -47.95 81.43 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.757 0.823 . . . . 0.0 111.153 169.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -58.97 -45.91 89.38 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.24 1.016 . . . . 0.0 111.519 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -51.53 -55.46 18.89 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.934 1.294 . . . . 0.0 111.793 169.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -54.38 -41.8 69.62 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.468 1.107 . . . . 0.0 112.617 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -65.38 -24.57 67.26 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 176.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -115.12 -13.3 11.83 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -173.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 88.0 p -75.79 -40.17 55.64 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.216 -0.927 . . . . 0.0 111.739 161.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -131.96 81.46 62.34 Favored Pre-proline 0 CA--C 1.542 0.666 0 C-N-CA 125.956 1.702 . . . . 0.0 110.82 -176.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -52.13 -16.06 4.21 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 124.703 3.602 . . . . 0.0 116.904 177.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 7.4 p -53.35 -44.27 68.38 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.403 1.081 . . . . 0.0 112.296 167.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 63.1 p -59.72 -27.8 66.78 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -177.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -53.59 -35.09 60.47 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 119.41 1.005 . . . . 0.0 112.034 171.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -20.8 66.48 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 178.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -18.28 65.27 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.373 -0.83 . . . . 0.0 113.066 177.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.11 79.0 10.12 Favored Pre-proline 0 CA--C 1.552 1.03 0 CA-C-N 119.4 1.0 . . . . 0.0 112.236 174.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -72.28 24.15 0.27 Allowed 'Trans proline' 0 CA--C 1.552 1.395 1 C-N-CA 125.317 4.011 . . . . 0.0 115.701 -168.205 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.28 -11.19 4.64 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.872 1.669 . . . . 0.0 113.033 176.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -76.94 123.6 26.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.759 0.824 . . . . 0.0 112.133 -168.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -81.9 62.94 5.92 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.088 0.955 . . . . 0.0 111.561 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 pp -65.59 22.29 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.723 2.009 . . . . 0.0 115.779 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 22.6 m -57.93 160.25 4.87 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.326 1.85 . . . . 0.0 112.836 173.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -57.76 123.93 17.39 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.129 -0.982 . . . . 0.0 110.991 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.01 7.26 66.1 Favored Glycine 0 CA--C 1.539 1.591 0 CA-C-O 119.015 -0.88 . . . . 0.0 115.157 -175.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 45.6 t -53.79 108.08 0.32 Allowed 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.091 1.445 . . . . 0.0 114.181 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.83 -32.99 64.07 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.066 0.946 . . . . 0.0 112.578 170.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -66.06 -44.29 84.96 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.108 0.563 . . . . 0.0 111.209 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.05 -35.7 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-O 118.503 -0.761 . . . . 0.0 111.483 174.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -63.45 -47.12 83.18 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 120.203 1.365 . . . . 0.0 111.895 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.94 -51.57 56.19 Favored Glycine 0 N--CA 1.471 1.03 0 C-N-CA 124.146 0.879 . . . . 0.0 112.313 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -57.89 -41.79 83.29 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.783 -0.833 . . . . 0.0 111.675 173.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.68 -51.32 49.41 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 124.627 1.108 . . . . 0.0 113.763 172.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -54.3 -43.86 71.47 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 118.674 1.237 . . . . 0.0 112.386 172.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -65.95 -48.48 71.18 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 118.918 0.781 . . . . 0.0 112.35 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 79.1 t -54.67 -47.66 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.168 0.895 . . . . 0.0 111.02 172.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 63' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -68.0 -40.51 83.0 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.09 -37.27 86.83 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.182 -0.949 . . . . 0.0 111.887 174.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 65' ' ' ALA . . . . . 0.425 ' HB2' HMA1 ' C' ' 201' ' ' HEC . . . -63.19 -35.3 79.84 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.487 -0.758 . . . . 0.0 112.842 168.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 mt -63.47 -45.28 91.53 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.207 0.912 . . . . 0.0 111.624 168.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 36.6 m -55.29 -45.78 76.21 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 120.375 1.443 . . . . 0.0 112.057 172.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -61.51 -44.08 97.72 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.945 1.298 . . . . 0.0 112.189 175.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.02 -50.33 71.18 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.552 -0.718 . . . . 0.0 111.479 170.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 85.6 t -60.14 -42.26 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.905 0.882 . . . . 0.0 111.977 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.16 -23.69 67.41 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -134.08 24.95 3.91 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.005 1.322 . . . . 0.0 112.739 -171.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 12.6 p -60.11 -25.76 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -168.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -71.9 -21.67 61.6 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 120.901 -1.125 . . . . 0.0 113.855 173.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -128.27 24.25 5.93 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 127.468 2.307 . . . . 0.0 111.86 -173.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 24.2 ttp -51.87 -36.25 28.57 Favored Pre-proline 0 CA--C 1.549 0.93 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 -171.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -69.43 46.72 0.47 Allowed 'Trans proline' 0 CA--C 1.554 1.525 0 C-N-CA 124.331 3.354 . . . . 0.0 114.517 168.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -157.98 -39.1 0.07 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.636 2.774 . . . . 0.0 109.45 168.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.19 -36.47 77.7 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 176.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 65.9 mt -100.29 9.22 43.02 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -175.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 57.1 m -58.01 -31.78 67.3 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -177.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.2 -31.51 70.22 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.74 -1.225 . . . . 0.0 112.959 171.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mt -81.33 -35.04 31.43 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.336 1.054 . . . . 0.0 111.691 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 1.1 p -59.64 -43.85 93.71 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 118.807 -0.616 . . . . 0.0 110.331 167.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.66 -49.44 75.04 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.458 1.503 . . . . 0.0 112.402 173.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 tp -47.81 -67.19 0.3 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.777 1.231 . . . . 0.0 110.585 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -27.64 68.57 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.921 0.782 . . . . 0.0 113.014 -171.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.38 -41.67 69.38 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.712 0.805 . . . . 0.0 111.829 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -73.02 -45.59 56.87 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.462 0.705 . . . . 0.0 112.617 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.6 157.5 32.07 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.224 1.41 . . . . 0.0 112.243 -178.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 41.6 mt 51.68 68.47 0.8 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.795 1.238 . . . . 0.0 113.19 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 15.7 ttm-85 -62.88 13.49 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 118.061 2.615 . . . . 0.0 118.061 -170.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 t 25.15 86.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 129.534 3.134 . . . . 0.0 115.087 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -41.6 122.21 2.26 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 123.7 0.8 . . . . 0.0 111.094 164.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -40.64 -32.1 0.76 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 124.641 3.56 . . . . 0.0 115.983 174.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 4.4 p -51.0 -41.33 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 120.232 1.378 . . . . 0.0 111.233 174.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -74.36 -28.74 61.27 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 123.702 0.801 . . . . 0.0 111.331 -177.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 98' ' ' PHE . . . . . 0.422 ' C ' ' CD1' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -57.43 -52.97 63.24 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.069 163.147 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -56.82 -45.1 82.51 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.481 1.037 . . . . 0.0 110.343 -174.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 87.0 mt -57.38 -61.06 2.75 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.17 0.988 . . . . 0.0 111.415 173.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 67.8 tp -57.91 -42.96 85.84 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.32 0.964 . . . . 0.0 112.076 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 32.9 t -56.8 -52.22 65.89 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.585 1.154 . . . . 0.0 111.451 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -59.89 -46.38 89.49 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 122.761 0.425 . . . . 0.0 111.62 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 86.6 m -60.33 -40.29 90.13 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.924 0.889 . . . . 0.0 112.483 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 41.3 mt -61.4 -52.55 64.13 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 119.543 1.065 . . . . 0.0 110.8 173.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 17.9 mt -51.72 -47.77 63.87 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.616 0.766 . . . . 0.0 111.24 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 31.5 t -57.57 -50.16 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 C-N-CA 124.291 1.036 . . . . 0.0 112.029 175.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 20.2 m -64.81 -36.94 85.95 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.183 0.901 . . . . 0.0 112.338 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 11.9 mt -64.1 -43.75 94.4 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.584 1.084 . . . . 0.0 112.01 172.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.99 -32.43 66.1 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.36 -6.31 23.66 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 115.408 1.632 . . . . 0.0 115.408 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.64 -34.48 0.83 Allowed 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 -174.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 6.9 mp -67.34 158.43 82.02 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 119.263 0.938 . . . . 0.0 112.696 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.73 -32.95 78.49 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 124.042 3.161 . . . . 0.0 115.402 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -148.13 -53.4 0.19 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.552 1.141 . . . . 0.0 112.153 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 65.54 -31.99 0.15 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.235 2.214 . . . . 0.0 114.304 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -75.04 -5.34 43.57 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.964 1.706 . . . . 0.0 115.471 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.67 156.75 6.02 Favored Pre-proline 0 N--CA 1.481 1.081 0 C-N-CA 123.724 0.81 . . . . 0.0 111.025 -176.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.36 -46.19 22.73 Favored 'Trans proline' 0 CA--C 1.528 0.21 0 C-N-CA 121.307 1.338 . . . . 0.0 113.43 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.92 -12.16 60.29 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -178.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 55.1 t -104.42 -46.53 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 119.662 1.119 . . . . 0.0 111.844 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 122' ' ' HIS . . . . . 0.576 ' CD2' HH21 ' D' ' 30' ' ' ARG . 4.0 t-80 -72.02 -40.44 68.44 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 121.276 1.853 . . . . 0.0 113.303 -175.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.94 -54.22 49.42 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 119.504 1.047 . . . . 0.0 110.166 166.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 13.4 t -49.81 -57.62 7.0 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.027 1.331 . . . . 0.0 113.418 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.57 -39.23 81.09 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.747 -0.644 . . . . 0.0 111.391 -176.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.44 -53.88 48.29 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.638 1.108 . . . . 0.0 112.109 176.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -33.33 75.57 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 119.282 -0.389 . . . . 0.0 111.35 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -62.76 -53.7 50.38 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 119.06 0.846 . . . . 0.0 111.58 173.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 34.3 mt -60.72 -36.58 79.2 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.452 1.023 . . . . 0.0 112.188 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.36 -31.84 72.55 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 171.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 59.5 m -77.36 -37.03 53.07 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.509 -1.37 . . . . 0.0 112.932 171.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 74.4 t -55.95 -51.59 59.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 119.172 0.896 . . . . 0.0 109.602 171.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 87.0 p -64.78 -40.51 95.37 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 176.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 1.3 m -49.07 -50.74 35.25 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.522 1.056 . . . . 0.0 111.233 169.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.01 -40.83 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.028 -1.045 . . . . 0.0 111.18 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.3 -24.35 67.26 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 179.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 4.2 t -101.99 -17.29 16.17 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.724 1.21 . . . . 0.0 113.027 178.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 10.8 t -63.12 172.62 1.74 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.554 1.142 . . . . 0.0 112.399 165.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -125.84 127.23 45.76 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.252 1.421 . . . . 0.0 110.43 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -149.96 101.41 3.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.242 1.417 . . . . 0.0 109.884 -176.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 . . . . . 0 C--O 1.256 1.421 0 C-N-CA 127.398 2.279 . . . . 0.0 114.42 -175.753 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.301 2.4 p . . . . . 0 N--CA 1.508 2.461 0 CA-C-O 116.83 -1.557 . . . . 0.0 113.318 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 63.7 t60 13.19 85.42 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 128.21 2.604 . . . . 0.0 116.138 -176.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.45 157.13 17.62 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.219 0.607 . . . . 0.0 110.881 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 8.2 p -64.33 154.92 82.06 Favored Pre-proline 0 N--CA 1.48 1.071 0 CA-C-O 118.812 -0.613 . . . . 0.0 109.473 165.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -54.54 -39.12 89.72 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.327 2.018 . . . . 0.0 113.721 174.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -67.16 -46.0 75.31 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.544 0.738 . . . . 0.0 111.87 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.06 -38.76 79.26 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.404 -0.808 . . . . 0.0 111.848 178.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -54.44 -51.47 64.86 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.755 1.161 . . . . 0.0 110.651 168.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 22.6 t -55.01 -45.8 75.15 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.722 0.692 . . . . 0.0 111.235 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.61 -52.48 64.7 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.283 1.033 . . . . 0.0 113.117 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.47 -56.15 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 CA-C-N 119.658 1.117 . . . . 0.0 112.155 176.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 4.3 m -67.33 -33.94 76.31 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.58 1.082 . . . . 0.0 112.811 -168.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.4 78.87 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.451 1.023 . . . . 0.0 112.412 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.53 -39.59 88.68 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.153 -0.967 . . . . 0.0 110.829 172.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 15' ' ' TRP . . . . . 0.418 ' HE1' ' HB3' ' D' ' 72' ' ' SER . 0.3 OUTLIER -64.36 -6.53 7.27 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 167.54 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.77 -40.05 8.41 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.173 1.368 . . . . 0.0 113.447 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.17 -10.27 39.39 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 175.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 p -53.22 139.08 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 124.644 1.178 . . . . 0.0 113.051 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -88.34 93.35 9.49 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.41 -0.806 . . . . 0.0 108.859 169.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 20' ' ' VAL . . . . . 0.543 HG13 HD22 ' D' ' 68' ' ' LEU . 50.2 t -52.73 -39.13 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 124.496 1.119 . . . . 0.0 113.249 -174.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -72.22 -29.69 64.2 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -98.92 -42.35 7.18 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.015 0.825 . . . . 0.0 112.18 -178.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.5 -31.47 53.72 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.55 0 CA-C-N 119.573 1.079 . . . . 0.0 111.203 168.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.07 -49.1 56.14 Favored Glycine 0 N--CA 1.468 0.807 0 CA-C-N 120.077 1.308 . . . . 0.0 111.551 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.93 -47.88 88.81 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 117.248 0.524 . . . . 0.0 112.781 174.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -67.6 -35.49 79.06 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 117.411 -1.28 . . . . 0.0 112.531 175.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.17 -56.25 18.29 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 121.939 2.154 . . . . 0.0 110.744 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -68.72 -36.94 79.08 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.762 -0.587 . . . . 0.0 111.464 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.403 ' O ' HG13 ' D' ' 33' ' ' VAL . . . -60.74 -51.41 58.84 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-N 118.945 0.793 . . . . 0.0 112.404 170.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 30' ' ' ARG . . . . . 0.576 HH21 ' CD2' ' C' ' 122' ' ' HIS . 31.3 ttt180 -56.16 -23.2 33.36 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.774 1.629 . . . . 0.0 113.743 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 31' ' ' LEU . . . . . 0.459 ' HA ' HG21 ' D' ' 109' ' ' VAL . 48.0 tp -65.09 -57.81 7.67 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.678 1.126 . . . . 0.0 110.22 167.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.09 -31.35 71.77 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.503 -0.748 . . . . 0.0 112.072 -175.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 33' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' D' ' 30' ' ' ARG . 2.2 m -66.2 -7.82 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 176.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 t -79.01 -2.54 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 CA-C-N 120.828 1.649 . . . . 0.0 112.637 171.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 56.19 41.64 0.83 Allowed Pre-proline 0 CA--C 1.564 1.496 0 O-C-N 120.923 -1.111 . . . . 0.0 113.264 -165.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -76.45 162.51 33.32 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 123.412 2.741 . . . . 0.0 113.199 -170.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 5.8 p90 -60.24 -25.35 65.59 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 168.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 41.5 p -55.85 -28.64 57.41 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.85 0.86 . . . . 0.0 113.058 172.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -58.33 -21.45 49.54 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.543 1.537 . . . . 0.0 113.284 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -27.73 17.97 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 120.196 1.362 . . . . 0.0 113.333 173.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.12 13.01 36.53 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.758 1.223 . . . . 0.0 114.201 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -8.73 28.03 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 176.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -49.66 -27.31 4.54 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.937 1.295 . . . . 0.0 114.387 179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 51.0 p -96.15 -24.49 16.25 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.236 1.414 . . . . 0.0 114.322 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.54 -40.14 92.56 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.227 1.411 . . . . 0.0 112.013 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.06 -175.53 35.22 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.03 0.824 . . . . 0.0 114.903 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 43.58 -110.57 0.17 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.58 1.952 . . . . 0.0 112.025 -166.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 tt 60.36 -17.4 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 128.082 2.553 . . . . 0.0 117.564 174.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 13.9 t -49.33 -28.51 4.97 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.289 1.836 . . . . 0.0 113.646 177.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 81.1 p -125.45 150.73 68.63 Favored Pre-proline 0 N--CA 1.471 0.578 0 C-N-CA 123.216 0.606 . . . . 0.0 110.482 149.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -66.08 -26.05 50.69 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.601 2.201 . . . . 0.0 113.655 173.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.68 -38.84 75.86 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 120.732 -1.23 . . . . 0.0 111.372 167.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.59 -38.35 77.31 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 118.335 -0.84 . . . . 0.0 112.63 170.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -41.47 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 CA-C-N 121.178 1.808 . . . . 0.0 113.034 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 25.3 ptp -77.75 -18.43 56.5 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -96.23 -23.35 17.23 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 124.399 1.0 . . . . 0.0 114.724 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -52.54 117.17 10.11 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 126.572 1.949 . . . . 0.0 112.0 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -47.63 -40.54 30.62 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.995 3.13 . . . . 0.0 114.603 175.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -65.02 -41.89 94.91 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.443 0.697 . . . . 0.0 111.842 176.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 85.7 t -68.97 -34.57 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 119.616 1.098 . . . . 0.0 111.904 175.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -64.38 -45.66 86.73 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 120.237 1.38 . . . . 0.0 111.659 170.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.42 -49.97 74.7 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.176 0.99 . . . . 0.0 112.794 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -33.11 74.85 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.627 -1.295 . . . . 0.0 113.12 173.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.32 -53.11 42.98 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 124.264 0.935 . . . . 0.0 111.853 167.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.47 -40.45 74.91 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 118.028 0.914 . . . . 0.0 112.471 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -67.19 -54.86 17.21 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.242 1.017 . . . . 0.0 113.437 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 17.3 m -58.91 -36.93 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 120.371 1.442 . . . . 0.0 111.605 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 68' ' ' LEU . . . . . 0.543 HD22 HG13 ' D' ' 20' ' ' VAL . 7.0 tt -65.96 -41.28 91.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.345 1.058 . . . . 0.0 111.883 173.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.09 -37.2 78.36 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.149 1.357 . . . . 0.0 113.355 176.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.67 93.56 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.675 -0.897 . . . . 0.0 112.207 170.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -59.62 -43.28 93.85 Favored 'General case' 0 CA--C 1.55 0.954 0 O-C-N 120.791 -1.193 . . . . 0.0 112.533 173.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 72' ' ' SER . . . . . 0.418 ' HB3' ' HE1' ' D' ' 15' ' ' TRP . 93.5 p -68.86 -40.54 79.28 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.848 1.204 . . . . 0.0 112.843 177.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -56.95 -34.96 68.55 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.891 0.768 . . . . 0.0 111.578 167.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.61 -60.61 8.37 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 124.692 1.139 . . . . 0.0 112.259 169.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.0 -29.92 69.98 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.115 1.457 . . . . 0.0 113.931 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.0 -27.51 64.76 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 172.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -143.66 49.27 1.4 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.608 1.563 . . . . 0.0 112.731 -170.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 90.6 mt -59.06 -20.78 56.48 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 120.868 -1.145 . . . . 0.0 113.635 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -66.14 -24.35 66.65 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.121 1.368 . . . . 0.0 114.26 173.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -87.92 -73.37 0.49 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.863 0.756 . . . . 0.0 111.779 -173.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 50.91 22.16 1.12 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 175.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -147.3 -61.08 0.28 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 126.254 1.822 . . . . 0.0 110.483 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.57 -30.32 60.28 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.431 1.015 . . . . 0.0 114.273 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.73 -28.66 66.05 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.331 1.452 . . . . 0.0 113.524 173.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -122.72 12.15 9.85 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.458 1.103 . . . . 0.0 113.444 -174.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.21 -30.24 66.32 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 21.0 p -71.17 -39.66 71.73 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.161 0.984 . . . . 0.0 112.454 170.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 16.9 mt -74.27 -40.0 62.61 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.714 1.206 . . . . 0.0 111.637 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 98.4 p -59.42 -52.77 64.18 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 123.347 0.659 . . . . 0.0 109.381 173.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -56.63 -45.52 81.49 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.913 0.885 . . . . 0.0 113.359 174.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 34.6 tp -56.44 -64.13 0.97 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.261 -0.9 . . . . 0.0 111.53 177.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -72.31 -19.69 61.62 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 118.091 -0.957 . . . . 0.0 112.622 -174.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 1.3 p -88.09 -27.61 21.85 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 120.593 1.542 . . . . 0.0 114.429 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -114.96 -30.62 6.34 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.689 1.131 . . . . 0.0 112.786 -172.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -27.33 35.24 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.339 0.656 . . . . 0.0 112.58 170.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 6.2 mt -129.45 -36.19 1.69 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.519 1.128 . . . . 0.0 113.898 -173.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 49.17 25.67 1.25 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.124 2.17 . . . . 0.0 115.852 -171.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 2.8 m -59.01 143.18 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.36 1.064 . . . . 0.0 113.266 -177.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.77 141.66 97.82 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 125.777 1.631 . . . . 0.0 114.564 -169.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -51.38 -35.39 54.16 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 124.243 3.296 . . . . 0.0 117.86 -177.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -58.43 -27.08 64.01 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 120.572 -1.33 . . . . 0.0 112.998 176.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -61.09 -37.75 83.82 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.716 0.806 . . . . 0.0 111.766 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -67.08 -47.24 71.85 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.682 0.793 . . . . 0.0 110.192 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 60.6 mtm-85 -56.85 -46.52 81.69 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 118.618 -0.706 . . . . 0.0 110.868 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 mt -54.41 -50.82 66.7 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.729 0.811 . . . . 0.0 112.953 176.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 tt -58.14 -41.56 83.96 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.4 0.68 . . . . 0.0 111.151 174.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -60.72 -48.87 84.08 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 121.058 -1.026 . . . . 0.0 114.773 174.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -58.99 -43.66 91.48 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.307 -1.113 . . . . 0.0 110.441 174.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 109' ' ' VAL . . . . . 0.459 HG21 ' HA ' ' D' ' 31' ' ' LEU . 10.0 t -57.89 -47.92 85.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 124.154 0.982 . . . . 0.0 112.341 174.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 35.7 tp -56.1 -52.5 64.09 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 118.899 0.772 . . . . 0.0 110.981 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 111' ' ' VAL . . . . . 0.488 HG12 ' HB3' ' D' ' 130' ' ' TYR . 5.8 m -64.57 -29.79 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 O-C-N 121.484 -0.76 . . . . 0.0 111.501 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.97 -35.51 64.49 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.232 -0.918 . . . . 0.0 112.933 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.78 -36.86 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 119.733 -1.855 . . . . 0.0 111.248 169.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.56 -37.08 85.96 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.581 0.628 . . . . 0.0 110.818 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.61 -35.1 75.31 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 170.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -66.09 -59.65 3.58 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.025 0.829 . . . . 0.0 111.787 170.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -68.31 -28.27 67.03 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -171.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -128.9 22.74 5.76 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.231 1.012 . . . . 0.0 113.053 -170.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -43.68 -37.0 3.68 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 125.661 1.601 . . . . 0.0 116.556 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -60.82 -24.18 65.66 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.602 1.561 . . . . 0.0 114.33 175.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -122.32 -8.71 8.65 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.418 2.287 . . . . 0.0 112.593 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -80.53 69.74 7.08 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.491 1.517 . . . . 0.0 112.282 -173.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 32.7 p -63.46 160.34 43.38 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 124.343 1.057 . . . . 0.0 112.973 -175.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -47.49 -52.75 7.47 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 123.018 2.478 . . . . 0.0 115.049 167.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.45 -26.84 70.48 Favored 'Trans proline' 0 C--N 1.355 0.887 0 CA-C-N 121.573 1.598 . . . . 0.0 113.712 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.48 -50.24 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 120.496 1.498 . . . . 0.0 110.919 171.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.87 -36.21 83.62 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.208 -0.932 . . . . 0.0 112.082 -178.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.76 92.54 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 171.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.68 -53.54 54.79 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.068 0.947 . . . . 0.0 111.402 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 130' ' ' TYR . . . . . 0.488 ' HB3' HG12 ' D' ' 111' ' ' VAL . 37.1 m-85 -55.88 -44.4 78.09 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 122.07 -0.394 . . . . 0.0 111.627 173.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -58.22 -40.38 81.49 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.797 -1.189 . . . . 0.0 113.845 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -63.45 -43.08 98.42 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 120.803 1.638 . . . . 0.0 113.307 176.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 2.9 p -70.42 -35.84 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 CA-C-N 119.607 1.094 . . . . 0.0 112.277 174.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 8.8 t -57.89 -49.07 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.284 0.947 . . . . 0.0 111.882 170.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.69 -46.59 86.93 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.697 0.799 . . . . 0.0 110.732 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.7 -54.06 26.58 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.555 -0.581 . . . . 0.0 112.89 169.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -40.69 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 118.586 1.193 . . . . 0.0 112.469 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.1 -48.01 72.32 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.482 -0.761 . . . . 0.0 112.037 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -62.05 -36.17 80.83 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.853 0.752 . . . . 0.0 112.047 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.18 85.0 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.158 0.983 . . . . 0.0 112.417 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -43.5 98.74 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.406 -0.808 . . . . 0.0 110.152 171.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.13 -4.48 5.0 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 174.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -54.76 -39.39 68.31 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.133 -1.604 . . . . 0.0 113.45 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -67.1 -10.28 48.43 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -98.8 -7.06 28.09 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.685 1.194 . . . . 0.0 113.907 -168.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 . . . . . 0 C--O 1.254 1.326 0 C-N-CA 124.65 1.18 . . . . 0.0 113.822 -163.182 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.406 HMA1 ' HB2' ' A' ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 201' ' ' HEC . . . . . 0.641 HMD1 HBD1 ' B' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 201' ' ' HEC . . . . . 0.425 HMA1 ' HB2' ' C' ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 201' ' ' HEC . . . . . 0.625 HMD1 HBD1 ' D' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.509 2.523 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.7 mt -147.28 179.64 7.5 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 119.848 -1.783 . . . . 0.0 112.384 -173.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -105.91 167.86 9.06 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 127.192 2.197 . . . . 0.0 109.745 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -76.66 -41.37 0.43 Allowed 'Trans proline' 0 CA--C 1.54 0.792 0 CA-C-N 121.401 1.536 . . . . 0.0 113.033 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.73 -35.65 77.39 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -35.78 77.5 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.551 -0.718 . . . . 0.0 112.379 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -56.83 -49.61 74.89 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.828 1.251 . . . . 0.0 109.813 173.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.5 m -58.04 -49.82 75.56 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.945 0.898 . . . . 0.0 111.939 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -65.16 -39.66 93.27 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.818 0.735 . . . . 0.0 112.325 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.1 t -62.02 -47.65 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 124.307 1.043 . . . . 0.0 111.64 173.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -59.93 -45.41 92.7 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.353 0.979 . . . . 0.0 111.295 175.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.48 -52.19 66.67 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.212 0.605 . . . . 0.0 111.281 176.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.77 -54.44 46.31 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.787 0.835 . . . . 0.0 112.15 176.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -62.83 -27.89 69.64 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.534 -0.728 . . . . 0.0 112.798 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.29 -44.0 98.29 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.762 1.172 . . . . 0.0 113.488 171.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -71.85 -35.62 69.9 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 118.615 1.207 . . . . 0.0 111.408 174.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.5 t -59.04 -44.4 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.057 0.943 . . . . 0.0 111.273 174.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.64 -135.94 5.03 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.635 1.588 . . . . 0.0 115.423 169.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.08 -22.58 61.0 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 178.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -71.99 -12.08 61.07 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.621 1.169 . . . . 0.0 113.392 178.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.5 -45.82 26.73 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.748 1.219 . . . . 0.0 114.162 -175.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.59 -34.54 90.23 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 119.716 -0.491 . . . . 0.0 113.587 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -66.98 -46.01 75.89 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.911 0.884 . . . . 0.0 110.153 174.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -65.25 -35.81 82.18 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.748 -0.595 . . . . 0.0 111.517 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.23 -47.89 75.7 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 124.029 0.823 . . . . 0.0 112.627 170.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.8 -46.68 81.43 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.275 1.037 . . . . 0.0 111.77 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -64.68 -38.32 90.6 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 121.448 -0.783 . . . . 0.0 112.321 174.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.442 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -65.65 -40.05 92.04 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.434 -0.791 . . . . 0.0 112.262 177.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.7 -42.74 97.92 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.967 1.307 . . . . 0.0 111.626 171.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.82 -45.79 89.15 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.645 0.778 . . . . 0.0 111.981 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -36.12 81.5 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.058 -1.026 . . . . 0.0 112.635 173.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -61.72 -42.47 99.0 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.166 0.893 . . . . 0.0 111.226 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -62.54 1.69 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.837 0.855 . . . . 0.0 111.283 167.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.33 -34.74 61.23 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 119.739 -0.784 . . . . 0.0 113.034 -157.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -70.5 -20.14 62.87 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.0 68.72 11.63 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.446 1.098 . . . . 0.0 110.532 -166.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -54.29 -21.62 23.58 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 123.834 3.023 . . . . 0.0 116.095 -174.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.4 p -52.21 -26.61 12.09 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.648 1.579 . . . . 0.0 114.502 166.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.9 p -64.01 -37.47 87.54 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.87 -1.144 . . . . 0.0 113.235 170.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' HA ' ' HE3' ' A' ' 40' ' ' LYS . 0.4 OUTLIER -68.43 -32.41 72.42 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -165.103 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.0 t -58.78 -25.57 63.2 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 175.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -67.52 -23.7 65.48 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.682 -1.261 . . . . 0.0 113.446 172.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -150.28 77.75 8.09 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 124.488 1.115 . . . . 0.0 112.507 178.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.96 -148.25 0.02 OUTLIER 'Trans proline' 0 CA--C 1.549 1.262 0 C-N-CA 123.872 3.048 . . . . 0.0 110.066 166.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.29 0.7 OUTLIER 57.52 12.41 1.51 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 126.44 1.896 . . . . 0.0 116.064 -175.651 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -105.39 133.82 49.52 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.344 1.857 . . . . 0.0 110.678 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -99.79 80.35 2.33 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.51 1.524 . . . . 0.0 111.567 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.7 mt -74.67 36.22 0.1 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.409 1.483 . . . . 0.0 114.498 -174.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -74.21 40.74 0.13 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.679 1.992 . . . . 0.0 113.299 176.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 55.52 151.49 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 130.827 3.651 . . . . 0.0 116.615 -164.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 46.39 37.91 8.73 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 126.177 1.846 . . . . 0.0 116.428 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 p -68.97 151.7 46.19 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -163.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.03 -18.74 59.43 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.598 1.159 . . . . 0.0 113.746 173.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -90.59 -45.19 9.06 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.483 1.113 . . . . 0.0 111.394 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.3 t -68.55 -36.49 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 O-C-N 121.246 -0.909 . . . . 0.0 111.742 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.31 -45.79 90.34 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.629 1.104 . . . . 0.0 112.213 173.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.56 -51.1 38.62 Favored Glycine 0 N--CA 1.47 0.929 0 C-N-CA 123.971 0.796 . . . . 0.0 111.902 -178.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -54.3 -42.65 70.33 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.505 0.722 . . . . 0.0 111.366 171.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.06 -51.94 46.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 121.104 -0.997 . . . . 0.0 114.122 170.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -59.01 -37.8 77.74 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 118.813 1.306 . . . . 0.0 112.454 176.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.5 -49.46 59.56 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 118.449 -0.786 . . . . 0.0 112.687 175.102 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 83.7 t -55.1 -44.74 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-N 119.983 1.265 . . . . 0.0 110.638 173.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.95 -51.59 69.38 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 174.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -59.25 -38.69 80.65 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.923 0.783 . . . . 0.0 112.287 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.518 ' HB2' HMA1 ' A' ' 201' ' ' HEC . . . -63.67 -37.79 88.66 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 171.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.75 -42.96 97.76 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 119.08 -0.486 . . . . 0.0 111.356 171.131 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.7 m -58.91 -45.2 90.87 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.61 1.096 . . . . 0.0 111.921 171.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -59.78 -42.96 94.5 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.486 1.114 . . . . 0.0 111.896 174.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.29 -50.57 73.14 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.64 -0.663 . . . . 0.0 111.598 170.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.0 t -55.54 -39.79 55.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 119.513 1.051 . . . . 0.0 112.185 175.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.36 -23.46 65.6 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -144.48 41.25 1.34 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.087 1.355 . . . . 0.0 111.729 -173.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 p -64.43 -12.39 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 -161.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.56 -7.0 20.03 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 169.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -114.29 -2.72 13.25 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.191 1.797 . . . . 0.0 112.553 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.411 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 23.4 ptt? -56.19 -20.47 0.54 Allowed Pre-proline 0 CA--C 1.544 0.748 0 N-CA-C 118.071 2.619 . . . . 0.0 118.071 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.88 -37.58 29.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 CA-C-N 123.968 2.453 . . . . 0.0 114.089 165.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -88.84 -41.18 12.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.729 0.812 . . . . 0.0 112.533 175.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 76' ' ' MET . . . -67.78 -11.46 58.51 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -177.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.2 mt -110.89 7.44 21.8 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.317 1.447 . . . . 0.0 113.219 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.5 m -53.36 -36.85 61.82 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.828 1.195 . . . . 0.0 114.114 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.53 -28.03 65.07 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 174.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.9 mt -86.54 -35.77 19.33 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.329 1.051 . . . . 0.0 111.092 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.9 m -63.28 -34.36 77.51 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 117.99 -1.005 . . . . 0.0 112.032 165.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.23 -51.08 69.2 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.368 1.44 . . . . 0.0 112.198 167.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 tp -49.1 -45.06 42.75 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.963 0.802 . . . . 0.0 111.881 173.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -70.26 -70.17 0.31 Allowed 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.535 -0.728 . . . . 0.0 110.832 175.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.05 -14.81 26.2 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -171.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -130.61 10.23 5.14 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.455 1.502 . . . . 0.0 113.299 -171.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -138.74 -50.57 0.54 Allowed 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 174.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.03 -12.41 2.19 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 44.46 33.91 0.98 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 128.206 2.602 . . . . 0.0 115.869 177.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.9 t -56.94 135.43 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -165.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -45.39 121.24 5.02 Favored Pre-proline 0 CA--C 1.55 0.96 0 C-N-CA 126.234 1.814 . . . . 0.0 112.519 174.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -46.54 -18.48 0.5 Allowed 'Trans proline' 0 C--N 1.352 0.749 1 C-N-CA 125.409 4.073 . . . . 0.0 117.046 176.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.7 p -51.44 -39.53 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 120.442 1.474 . . . . 0.0 111.854 168.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -57.8 -37.41 73.71 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.741 1.616 . . . . 0.0 112.589 174.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -63.22 -52.58 61.65 Favored 'General case' 0 C--N 1.345 0.4 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.456 172.277 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -54.2 -44.04 71.27 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 119.336 0.971 . . . . 0.0 110.75 -172.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.0 mt -55.19 -64.37 0.86 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.442 1.097 . . . . 0.0 110.576 174.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -35.47 73.39 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -177.124 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.9 t -60.62 -51.77 67.99 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.278 1.031 . . . . 0.0 111.865 174.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -59.69 -39.55 84.94 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 121.876 -0.515 . . . . 0.0 111.041 174.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 56.0 m -59.24 -46.96 87.1 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.731 -0.652 . . . . 0.0 111.84 174.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.5 mt -60.83 -49.69 76.46 Favored 'General case' 0 N--CA 1.461 0.117 0 C-N-CA 123.659 0.784 . . . . 0.0 111.795 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.7 mt -51.15 -39.52 56.53 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.886 0.475 . . . . 0.0 111.78 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 37.1 t -68.38 -51.84 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 118.285 -0.864 . . . . 0.0 113.034 170.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.5 p -64.82 -36.43 84.32 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 120.488 1.495 . . . . 0.0 112.916 -172.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.98 -48.17 80.79 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.225 1.375 . . . . 0.0 109.979 170.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.4 ' CB ' ' CE1' ' B' ' 116' ' ' HIS . . . -71.04 -20.35 62.39 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -172.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.52 -13.3 20.07 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 170.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -132.1 -13.3 3.16 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -173.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.0 mp -98.37 154.96 37.37 Favored Pre-proline 0 CA--C 1.554 1.106 0 C-N-CA 124.915 1.286 . . . . 0.0 110.467 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -56.91 -33.71 95.62 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 123.503 2.802 . . . . 0.0 115.724 -171.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.3 -45.79 0.17 Allowed 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 117.826 -1.083 . . . . 0.0 113.919 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 58.48 -9.28 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 116.566 2.062 . . . . 0.0 116.566 -175.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -119.24 6.63 11.21 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.0 p -47.33 150.05 1.69 Allowed Pre-proline 0 N--CA 1.473 0.687 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 175.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -52.21 -31.78 47.46 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 CA-C-N 120.263 1.13 . . . . 0.0 114.817 -172.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.33 -47.47 27.6 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 168.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.89 -43.17 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 120.591 -1.318 . . . . 0.0 113.413 -174.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.63 -39.72 88.43 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 122.219 2.282 . . . . 0.0 111.638 176.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.01 -58.39 8.09 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 122.822 0.449 . . . . 0.0 110.263 174.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 61.5 p -62.03 -51.95 65.94 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -177.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.71 -39.5 91.28 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.592 1.087 . . . . 0.0 112.049 -177.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -67.14 -50.51 61.02 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 120.033 1.288 . . . . 0.0 111.928 175.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -26.13 66.75 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.689 0.677 . . . . 0.0 112.748 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -68.53 -51.3 44.49 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.626 1.17 . . . . 0.0 112.071 168.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -58.27 -33.82 69.83 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.679 -1.263 . . . . 0.0 112.022 173.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.41 -35.09 68.29 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 172.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.3 p -70.06 -43.15 71.79 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.025 -1.672 . . . . 0.0 110.885 171.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 53.2 t -53.44 -51.98 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.44 1.496 . . . . 0.0 111.137 170.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 86.2 p -64.55 -40.01 94.8 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 119.364 0.984 . . . . 0.0 113.012 178.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.0 m -52.01 -55.77 18.45 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 118.896 0.771 . . . . 0.0 110.228 170.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 31.0 m -69.66 -27.54 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -176.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.45 -12.61 59.98 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 119.157 0.889 . . . . 0.0 112.907 171.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 98.8 m -96.44 -28.47 14.42 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.378 1.471 . . . . 0.0 111.807 171.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 59.1 m -54.37 136.95 43.08 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.882 1.273 . . . . 0.0 112.48 170.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -75.21 106.16 6.59 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.782 0.833 . . . . 0.0 110.29 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -145.37 152.43 39.85 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.344 1.458 . . . . 0.0 111.438 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 127.188 2.195 . . . . 0.0 111.025 -176.228 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.33 2.2 p . . . . . 0 N--CA 1.514 2.763 0 CA-C-O 117.04 -1.457 . . . . 0.0 113.282 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 75.9 t60 14.22 84.05 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 128.213 2.605 . . . . 0.0 116.268 -172.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.11 161.22 8.93 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.597 0.759 . . . . 0.0 111.25 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 2.4 p -65.04 155.51 83.69 Favored Pre-proline 0 N--CA 1.48 1.039 0 O-C-N 121.688 -0.632 . . . . 0.0 109.558 163.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -55.89 -41.08 80.83 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 122.467 2.111 . . . . 0.0 113.752 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -68.33 -42.38 79.39 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.161 0.584 . . . . 0.0 111.572 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.49 -43.46 97.18 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.328 0.651 . . . . 0.0 111.212 175.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -54.77 -53.15 58.84 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.577 0.751 . . . . 0.0 111.25 172.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m -55.62 -41.83 74.04 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.268 0.94 . . . . 0.0 111.943 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.48 -41.53 98.57 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.5 p -69.69 -56.56 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 120.221 1.373 . . . . 0.0 111.424 171.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.1 m -67.72 -36.14 80.06 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.243 0.929 . . . . 0.0 113.244 -168.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.67 88.38 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 120.191 1.359 . . . . 0.0 112.294 175.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 tt -72.78 -28.17 62.44 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.66 -0.65 . . . . 0.0 111.417 173.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -63.87 -41.1 97.84 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.402 -0.811 . . . . 0.0 111.26 166.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.67 -27.86 50.33 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 125.446 1.498 . . . . 0.0 115.51 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -100.24 -5.73 27.12 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.696 1.198 . . . . 0.0 113.973 174.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.408 HG22 HG11 ' B' ' 23' ' ' VAL . 0.4 OUTLIER -65.22 138.74 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.495 1.118 . . . . 0.0 111.862 -174.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -88.93 67.04 8.1 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.245 1.018 . . . . 0.0 111.337 -175.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 48.8 t -39.7 -45.08 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 126.171 1.789 . . . . 0.0 115.585 -164.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.15 -57.24 11.21 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.047 0.939 . . . . 0.0 112.547 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -70.07 -52.33 24.76 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.189 0.996 . . . . 0.0 111.068 -175.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.408 HG11 HG22 ' B' ' 18' ' ' VAL . 0.8 OUTLIER -66.08 -29.21 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 125.841 1.656 . . . . 0.0 112.491 -179.474 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.05 -40.26 10.62 Favored Glycine 0 C--N 1.34 0.799 0 C-N-CA 124.295 0.95 . . . . 0.0 112.337 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.75 -41.44 99.06 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-N 118.198 0.999 . . . . 0.0 111.917 167.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -64.59 -41.17 96.43 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.191 -0.909 . . . . 0.0 112.865 171.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.59 -57.49 12.72 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 120.506 1.503 . . . . 0.0 111.335 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.3 tp -65.84 -39.97 91.32 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.353 -0.842 . . . . 0.0 112.39 -177.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.36 -47.17 87.29 Favored Glycine 0 N--CA 1.469 0.865 0 CA-C-N 119.019 0.827 . . . . 0.0 112.425 177.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.31 -37.5 55.93 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.982 1.313 . . . . 0.0 112.829 172.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.21 -48.89 23.93 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 123.49 0.716 . . . . 0.0 111.002 176.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.551 HD21 ' CE2' ' B' ' 45' ' ' PHE . 1.4 mm? -75.68 -30.9 59.53 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.2 -0.937 . . . . 0.0 112.404 -179.156 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 1.1 m -70.73 -12.09 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -0.79 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 CA-C-N 120.462 1.483 . . . . 0.0 113.617 170.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 12.3 t80 45.66 47.19 3.75 Favored Pre-proline 0 CA--C 1.562 1.412 0 C-N-CA 125.62 1.568 . . . . 0.0 114.325 -166.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -81.82 170.0 14.45 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.074 2.516 . . . . 0.0 114.228 -171.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 4.9 p90 -57.61 -28.81 63.98 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 169.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -60.95 -22.06 64.06 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.529 1.532 . . . . 0.0 113.856 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -57.74 -24.16 55.62 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.605 1.093 . . . . 0.0 112.889 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.01 -33.83 8.51 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.738 1.215 . . . . 0.0 113.43 171.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -92.79 11.56 26.57 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.459 1.504 . . . . 0.0 113.7 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -60.54 -15.87 31.81 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 178.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -50.52 -17.08 0.44 Allowed 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.803 1.409 . . . . 0.0 114.803 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 53.2 m -96.69 10.0 39.97 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.76 1.624 . . . . 0.0 114.707 174.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.551 ' CE2' HD21 ' B' ' 32' ' ' LEU . 19.8 m-85 -110.68 -20.29 12.57 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 120.257 -1.527 . . . . 0.0 114.607 -172.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.43 -7.64 17.39 Favored Glycine 0 CA--C 1.54 1.63 0 N-CA-C 117.318 1.687 . . . . 0.0 117.318 170.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -151.39 -130.21 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 119.419 1.61 . . . . 0.0 111.538 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 65.5 8.25 4.93 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.043 2.137 . . . . 0.0 115.539 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 88.2 p -58.19 -16.88 15.26 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 61.5 p -129.79 158.92 72.24 Favored Pre-proline 0 N--CA 1.469 0.501 0 C-N-CA 125.022 1.329 . . . . 0.0 110.327 154.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.15 -42.77 62.95 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 122.655 2.237 . . . . 0.0 114.157 172.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -59.21 -36.86 76.15 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.351 -0.843 . . . . 0.0 111.972 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.56 -36.67 84.96 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 176.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.68 -40.17 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 120.704 1.593 . . . . 0.0 112.628 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 5.1 ttm -80.46 -17.04 52.88 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -103.13 -22.87 8.89 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.191 1.377 . . . . 0.0 115.069 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -54.15 120.33 24.54 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 125.233 1.413 . . . . 0.0 111.882 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -61.28 -29.57 86.48 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.416 2.077 . . . . 0.0 113.14 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -63.3 -38.68 92.1 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.769 1.168 . . . . 0.0 112.176 171.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 71.4 t -69.72 -34.58 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-N 119.547 1.067 . . . . 0.0 111.736 174.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -66.89 -50.11 63.47 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 120.121 1.328 . . . . 0.0 111.798 173.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.31 -49.15 78.74 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.509 1.124 . . . . 0.0 112.452 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -67.32 -33.01 74.38 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.928 -1.108 . . . . 0.0 111.94 176.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.25 -48.15 76.87 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 126.427 1.965 . . . . 0.0 113.361 168.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -56.95 -44.39 82.5 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 117.759 0.78 . . . . 0.0 111.037 169.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -61.95 -50.44 72.11 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.706 0.802 . . . . 0.0 112.786 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.09 -45.44 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-N 119.859 1.208 . . . . 0.0 112.363 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.79 -33.65 68.76 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.239 -0.913 . . . . 0.0 112.176 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.97 -34.79 77.46 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.278 1.418 . . . . 0.0 113.234 174.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.53 -51.0 71.73 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.717 1.258 . . . . 0.0 110.565 165.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -54.07 -38.86 65.75 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.959 -1.088 . . . . 0.0 113.637 173.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.3 p -65.42 -36.31 83.56 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.839 -1.163 . . . . 0.0 113.426 173.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -27.15 68.12 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.405 -0.809 . . . . 0.0 112.245 169.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.74 -63.16 5.53 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 166.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 mt -53.72 -33.89 57.05 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.51 -24.58 59.01 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 176.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -141.09 40.51 1.79 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.183 1.393 . . . . 0.0 113.226 -172.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 77.5 mt -55.99 -21.47 21.37 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.873 -1.142 . . . . 0.0 114.063 176.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -59.1 -38.49 79.67 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.859 1.264 . . . . 0.0 113.636 175.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -161.46 61.83 0.27 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.345 1.058 . . . . 0.0 113.217 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.49 HD23 ' H ' ' B' ' 81' ' ' LEU . 0.5 OUTLIER -61.35 -18.53 59.08 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -179.358 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -55.44 -31.06 61.6 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.77 -1.206 . . . . 0.0 113.32 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.6 -23.55 42.51 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.3 0.952 . . . . 0.0 114.639 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.88 -16.73 43.31 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 118.905 1.352 . . . . 0.0 113.62 -179.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -113.41 0.81 14.88 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 116.188 1.921 . . . . 0.0 116.188 -174.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.17 -35.41 35.9 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 121.028 1.74 . . . . 0.0 115.528 -168.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 21.6 p -66.48 -40.24 89.21 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.428 1.091 . . . . 0.0 112.994 173.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 23.1 mt -67.03 -47.8 70.28 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 123.728 0.811 . . . . 0.0 109.932 171.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 4.6 m -56.01 -40.64 73.69 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 119.26 0.936 . . . . 0.0 112.293 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -60.24 -53.15 61.16 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.76 0.824 . . . . 0.0 111.676 171.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 45.0 tp -52.78 -46.18 67.48 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 120.944 -1.098 . . . . 0.0 111.925 174.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -80.28 -13.71 58.98 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 120.871 -1.143 . . . . 0.0 113.806 -174.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 42.0 t -102.31 -75.87 0.59 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.917 0.887 . . . . 0.0 110.135 169.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -61.6 -21.76 64.62 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.979 1.712 . . . . 0.0 115.12 -171.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -111.17 -20.06 12.48 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 175.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 79.7 mt -127.79 -34.81 2.15 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -176.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 35.11 19.33 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 130.338 3.455 . . . . 0.0 119.609 -175.079 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 1.4 m -51.26 149.48 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.504 1.522 . . . . 0.0 113.581 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.97 141.5 95.54 Favored Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -45.41 -39.13 16.4 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 125.056 3.837 . . . . 0.0 116.454 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -51.7 -27.09 10.71 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.796 1.238 . . . . 0.0 114.095 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ASN . . . . . 0.535 ' HB3' HMC1 ' B' ' 201' ' ' HEC . 2.0 m-80 -65.07 -44.23 89.59 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 120.759 -1.213 . . . . 0.0 110.84 175.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -67.43 -43.97 79.88 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.324 1.05 . . . . 0.0 110.126 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -43.14 80.56 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.507 1.123 . . . . 0.0 112.094 173.003 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.405 ' O ' HG13 ' B' ' 109' ' ' VAL . 10.2 tt -62.59 -47.36 84.14 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.071 0.948 . . . . 0.0 111.507 173.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -41.65 69.09 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.196 0.907 . . . . 0.0 111.018 173.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.08 -48.55 78.77 Favored Glycine 0 CA--C 1.523 0.563 0 CA-C-O 118.826 -0.986 . . . . 0.0 113.91 171.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -52.55 -50.67 62.45 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.1 1.45 . . . . 0.0 111.36 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.405 HG13 ' O ' ' B' ' 105' ' ' LEU . 0.7 OUTLIER -62.28 -38.26 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 121.581 -0.699 . . . . 0.0 111.819 -179.237 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 52.1 tp -62.99 -57.56 10.31 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.543 1.137 . . . . 0.0 111.89 175.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.452 HG12 ' HB3' ' B' ' 130' ' ' TYR . 12.4 m -60.83 -32.05 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 118.876 0.762 . . . . 0.0 111.567 -175.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 69.1 m -59.71 -46.25 89.65 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 117.607 -1.187 . . . . 0.0 112.698 173.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.63 -44.21 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 CA-C-N 121.904 2.138 . . . . 0.0 113.266 -174.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.464 ' HG ' ' H ' ' B' ' 114' ' ' LEU . 0.2 OUTLIER -65.59 -36.63 84.3 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 125.084 1.353 . . . . 0.0 110.101 -176.788 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 115' ' ' ALA . . . . . 0.482 ' HB2' ' CD1' ' B' ' 122' ' ' PHE . . . -66.46 -7.07 17.16 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.462 1.653 . . . . 0.0 115.462 173.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 116' ' ' HIS . . . . . 0.4 ' CE1' ' CB ' ' A' ' 110' ' ' ALA . 0.8 OUTLIER -109.73 -41.56 4.5 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.667 1.122 . . . . 0.0 111.081 -176.889 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -63.58 -38.49 91.31 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.794 -0.566 . . . . 0.0 112.168 164.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -127.26 25.13 6.21 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.635 1.174 . . . . 0.0 112.768 -167.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -48.19 -35.06 13.58 Favored Glycine 0 N--CA 1.481 1.635 0 C-N-CA 125.194 1.378 . . . . 0.0 115.544 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -55.29 -34.69 64.34 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.97 1.708 . . . . 0.0 113.95 172.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -104.78 -19.91 13.77 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.412 1.885 . . . . 0.0 112.778 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' PHE . . . . . 0.482 ' CD1' ' HB2' ' B' ' 115' ' ' ALA . 10.9 t80 -78.47 71.71 4.95 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.786 1.635 . . . . 0.0 111.922 -178.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 69.7 p -61.74 161.46 21.14 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 124.747 1.219 . . . . 0.0 112.226 175.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -43.65 -50.17 7.28 Favored 'Trans proline' 0 CA--C 1.55 1.282 0 C-N-CA 123.137 2.558 . . . . 0.0 114.914 167.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -65.65 -32.99 46.66 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.048 1.832 . . . . 0.0 115.598 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 14.8 t -52.11 -44.02 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 120.473 1.488 . . . . 0.0 111.919 172.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.65 -43.1 99.49 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.179 -0.95 . . . . 0.0 112.2 177.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.12 -30.01 70.73 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.191 0.996 . . . . 0.0 113.333 175.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.7 -55.36 13.47 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.602 0.637 . . . . 0.0 110.904 172.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.452 ' HB3' HG12 ' B' ' 111' ' ' VAL . 31.5 m-85 -56.12 -44.01 78.72 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.674 -0.641 . . . . 0.0 112.373 177.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -55.76 -42.53 75.59 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.655 -0.653 . . . . 0.0 112.748 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -64.9 -44.22 90.3 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.614 1.097 . . . . 0.0 113.304 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 2.1 p -70.08 -38.43 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 121.364 -0.835 . . . . 0.0 112.413 175.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 89.6 t -68.68 -37.03 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 118.648 0.658 . . . . 0.0 111.963 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.18 94.75 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.237 -0.915 . . . . 0.0 111.792 169.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.79 -48.81 75.25 Favored Glycine 0 N--CA 1.471 1.005 0 O-C-N 121.801 -0.562 . . . . 0.0 112.808 169.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -45.73 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 118.095 0.948 . . . . 0.0 111.716 174.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.72 -49.53 77.12 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 122.982 0.513 . . . . 0.0 111.472 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -35.32 80.6 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.822 -0.549 . . . . 0.0 111.725 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.79 -38.7 76.75 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.453 0.57 . . . . 0.0 111.995 175.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.6 -33.41 75.59 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.911 1.232 . . . . 0.0 111.655 172.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.94 -8.9 52.62 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 170.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -51.16 -42.76 61.02 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 120.387 -1.445 . . . . 0.0 113.685 -176.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -70.7 1.4 5.38 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -60.06 -17.08 36.74 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 119.908 1.231 . . . . 0.0 112.637 168.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 126.533 1.933 . . . . 0.0 112.828 174.652 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.508 2.453 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 63.2 mt -147.29 179.63 7.5 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 119.911 -1.743 . . . . 0.0 112.436 -173.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -105.91 167.87 9.05 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 127.192 2.197 . . . . 0.0 109.79 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -76.63 -41.47 0.42 Allowed 'Trans proline' 0 CA--C 1.54 0.779 0 CA-C-N 121.484 1.566 . . . . 0.0 113.108 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.58 -35.6 77.59 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.03 -35.68 77.53 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.601 -0.687 . . . . 0.0 112.406 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -56.83 -49.41 75.51 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.699 1.199 . . . . 0.0 110.004 173.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 75.2 m -58.1 -49.91 75.31 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.905 0.882 . . . . 0.0 111.931 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -65.23 -39.39 92.67 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.813 0.733 . . . . 0.0 112.329 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 36.5 t -62.2 -47.56 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.287 1.035 . . . . 0.0 111.644 173.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -60.09 -45.39 93.1 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.247 0.93 . . . . 0.0 111.317 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.28 66.24 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.274 0.63 . . . . 0.0 111.214 176.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.84 -54.31 47.92 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.718 0.807 . . . . 0.0 112.242 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -62.95 -27.78 69.63 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.546 -0.721 . . . . 0.0 112.813 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.26 -44.17 98.06 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.722 1.153 . . . . 0.0 113.4 171.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -71.82 -35.56 69.97 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 118.603 1.202 . . . . 0.0 111.38 174.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 71.4 t -59.13 -44.35 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.111 0.964 . . . . 0.0 111.29 174.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.72 -136.11 5.06 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.605 1.574 . . . . 0.0 115.406 169.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.94 -22.6 60.21 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -72.26 -11.79 60.87 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.536 1.134 . . . . 0.0 113.401 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.49 -45.78 26.62 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.697 1.199 . . . . 0.0 114.2 -175.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.76 -34.39 89.8 Favored Glycine 0 N--CA 1.469 0.88 0 CA-C-O 119.661 -0.522 . . . . 0.0 113.601 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -66.96 -46.05 75.86 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.945 0.898 . . . . 0.0 110.216 174.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -65.13 -35.85 82.4 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.703 -0.623 . . . . 0.0 111.56 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.42 -48.02 73.07 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 123.939 0.78 . . . . 0.0 112.454 170.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.6 -46.72 80.71 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.411 1.106 . . . . 0.0 111.797 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.74 -38.24 90.33 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.424 -0.798 . . . . 0.0 112.186 174.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.451 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -65.64 -40.11 92.17 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.534 -0.729 . . . . 0.0 112.329 177.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.56 -42.91 98.32 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.948 1.299 . . . . 0.0 111.67 171.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.59 -45.91 88.08 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.713 0.805 . . . . 0.0 112.008 176.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -36.09 81.48 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 121.124 -0.985 . . . . 0.0 112.66 173.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -61.77 -42.44 98.99 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.224 0.92 . . . . 0.0 111.225 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -62.55 1.68 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.947 0.899 . . . . 0.0 111.343 167.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.38 -34.73 61.13 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 119.743 -0.783 . . . . 0.0 113.043 -157.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -70.42 -20.19 62.93 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.02 68.88 11.68 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.435 1.094 . . . . 0.0 110.496 -166.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.47 -21.41 23.84 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 123.855 3.037 . . . . 0.0 116.08 -174.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 5.1 p -52.21 -26.67 12.26 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.786 1.635 . . . . 0.0 114.377 166.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 82.1 p -64.12 -37.49 87.66 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 120.865 -1.147 . . . . 0.0 113.258 170.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 40' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' C' ' 40' ' ' LYS . 0.4 OUTLIER -68.26 -32.43 72.59 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -165.194 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 9.0 t -58.71 -25.66 63.13 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 175.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -67.37 -23.83 65.63 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.539 -1.35 . . . . 0.0 113.497 172.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -150.16 77.7 8.2 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 124.545 1.138 . . . . 0.0 112.513 178.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.85 -148.25 0.02 OUTLIER 'Trans proline' 0 CA--C 1.549 1.268 0 C-N-CA 123.808 3.005 . . . . 0.0 110.145 166.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.287 0.7 OUTLIER 57.5 12.46 1.51 Allowed 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.533 1.933 . . . . 0.0 116.072 -175.745 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -105.28 133.94 49.21 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.331 1.852 . . . . 0.0 110.704 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -99.85 80.31 2.31 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.467 1.507 . . . . 0.0 111.542 -177.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 47.5 mt -74.57 36.19 0.1 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.428 1.491 . . . . 0.0 114.518 -174.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -74.3 40.84 0.13 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 126.557 1.943 . . . . 0.0 113.348 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . 0.25 0.6 OUTLIER 55.54 151.42 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 130.725 3.61 . . . . 0.0 116.643 -164.917 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 46.59 37.54 8.85 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 126.075 1.798 . . . . 0.0 116.45 173.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 13.0 p -68.74 151.68 46.33 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -163.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.02 -18.7 59.17 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.573 1.149 . . . . 0.0 113.792 173.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -90.57 -45.18 9.08 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.479 1.112 . . . . 0.0 111.51 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 98.1 t -68.66 -36.41 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 O-C-N 121.188 -0.945 . . . . 0.0 111.697 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -45.76 90.3 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.675 1.125 . . . . 0.0 112.187 173.076 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.6 -51.19 37.83 Favored Glycine 0 N--CA 1.471 0.971 0 C-N-CA 124.034 0.826 . . . . 0.0 111.788 -177.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -54.33 -42.59 70.37 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.484 0.713 . . . . 0.0 111.391 171.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.17 -51.86 47.76 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 121.076 -1.015 . . . . 0.0 114.085 170.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -58.97 -37.68 77.35 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 118.856 1.328 . . . . 0.0 112.506 175.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.69 -49.56 58.02 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 118.443 -0.789 . . . . 0.0 112.605 175.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 84.9 t -55.04 -44.52 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 CA-C-N 119.913 1.233 . . . . 0.0 110.771 173.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.54 69.54 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 174.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -59.17 -38.76 80.54 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.134 0.879 . . . . 0.0 112.29 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 65' ' ' ALA . . . . . 0.536 ' HB2' HMA1 ' C' ' 201' ' ' HEC . . . -63.9 -37.5 87.63 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 171.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -42.9 97.24 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.484 0.584 . . . . 0.0 111.325 171.075 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 21.7 m -59.1 -44.99 92.0 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.64 1.109 . . . . 0.0 111.86 171.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -59.87 -42.93 94.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.379 1.072 . . . . 0.0 111.959 174.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.29 -50.63 72.93 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.46 -0.775 . . . . 0.0 111.56 170.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 73.6 t -55.43 -39.93 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 CA-C-N 119.489 1.04 . . . . 0.0 112.101 175.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.24 -23.48 65.71 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -144.45 41.22 1.34 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.099 1.36 . . . . 0.0 111.748 -173.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 p -64.37 -12.55 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 -161.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.4 -7.02 20.19 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 169.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -114.12 -2.74 13.37 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.258 1.823 . . . . 0.0 112.627 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 76' ' ' MET . . . . . 0.407 ' HA ' ' HB3' ' C' ' 79' ' ' ALA . 23.4 ptt? -56.21 -20.52 0.55 Allowed Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 118.099 2.629 . . . . 0.0 118.099 178.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -47.96 -37.49 29.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 CA-C-N 123.856 2.413 . . . . 0.0 113.992 165.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -88.93 -41.12 12.6 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.662 0.785 . . . . 0.0 112.486 175.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 79' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' C' ' 76' ' ' MET . . . -67.8 -11.43 58.5 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -177.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 62.8 mt -110.86 7.36 21.84 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.362 1.465 . . . . 0.0 113.223 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 69.4 m -53.33 -36.87 61.77 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.91 1.232 . . . . 0.0 114.086 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.58 -28.11 65.25 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 174.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 mt -86.39 -35.81 19.55 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.343 1.057 . . . . 0.0 111.069 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 37.8 m -63.27 -34.42 77.64 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.088 -0.958 . . . . 0.0 112.149 165.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.0 -51.22 68.9 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 120.341 1.428 . . . . 0.0 112.218 167.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 tp -49.05 -45.01 42.25 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.923 0.783 . . . . 0.0 111.854 173.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -70.41 -70.15 0.31 Allowed 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.584 -0.698 . . . . 0.0 110.823 175.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.04 -14.76 25.67 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -171.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -130.68 10.19 5.11 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.318 1.447 . . . . 0.0 113.091 -171.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -138.74 -50.76 0.55 Allowed 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 174.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.98 -12.3 2.21 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 44.38 33.86 0.95 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 128.233 2.613 . . . . 0.0 115.852 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 17.6 t -56.82 135.35 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 -165.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -45.59 121.29 5.26 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 126.062 1.745 . . . . 0.0 112.585 174.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -46.19 -18.99 0.5 Allowed 'Trans proline' 0 C--N 1.352 0.746 1 C-N-CA 125.414 4.076 . . . . 0.0 117.15 176.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 10.4 p -51.06 -39.44 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-N 120.358 1.436 . . . . 0.0 111.989 168.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -57.9 -37.52 74.17 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.751 1.621 . . . . 0.0 112.522 174.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 98' ' ' PHE . . . . . 0.433 ' C ' ' CD1' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -63.14 -52.48 62.34 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.406 172.389 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -54.16 -44.22 71.29 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 119.288 0.949 . . . . 0.0 110.765 -172.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 55.1 mt -55.06 -64.36 0.86 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.426 1.09 . . . . 0.0 110.589 173.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -35.43 73.41 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.703 0.801 . . . . 0.0 113.101 -177.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 17.9 t -60.68 -51.76 68.0 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.334 1.054 . . . . 0.0 111.913 174.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -59.71 -39.49 84.78 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.922 -0.486 . . . . 0.0 111.068 174.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 104' ' ' CYS . . . . . 0.451 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 55.9 m -59.24 -47.01 86.95 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 118.679 -0.676 . . . . 0.0 111.917 174.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.83 -49.78 76.09 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 123.667 0.787 . . . . 0.0 111.729 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 4.8 mt -51.2 -39.37 56.33 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.85 0.46 . . . . 0.0 111.726 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 34.9 t -68.62 -51.71 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 118.285 -0.864 . . . . 0.0 112.936 170.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 46.0 p -64.9 -36.45 84.41 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.525 1.511 . . . . 0.0 112.832 -172.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.89 -48.22 80.49 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 120.423 1.465 . . . . 0.0 109.983 170.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 110' ' ' ALA . . . . . 0.406 ' CB ' ' CE1' ' D' ' 116' ' ' HIS . . . -71.08 -20.39 62.36 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -172.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.56 -13.3 20.46 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 170.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -132.03 -13.38 3.18 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -173.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 11.0 mp -98.34 155.04 37.33 Favored Pre-proline 0 CA--C 1.556 1.176 0 C-N-CA 124.983 1.313 . . . . 0.0 110.356 175.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -57.0 -33.72 96.16 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 123.489 2.793 . . . . 0.0 115.639 -171.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.3 -46.0 0.17 Allowed 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 58.62 -9.21 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -175.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -119.32 6.62 11.17 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 1.9 p -47.26 150.07 1.63 Allowed Pre-proline 0 N--CA 1.473 0.708 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -52.22 -31.86 47.9 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 CA-C-N 120.177 1.099 . . . . 0.0 114.811 -172.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.33 -47.41 27.87 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 168.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.82 -43.24 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 120.598 -1.314 . . . . 0.0 113.398 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.71 -39.48 88.06 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 122.171 2.26 . . . . 0.0 111.646 176.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.23 -58.31 8.52 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 122.851 0.46 . . . . 0.0 110.251 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 61.2 p -62.04 -51.96 65.89 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-O 118.313 -0.851 . . . . 0.0 113.271 -177.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.66 -39.62 91.56 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.547 1.067 . . . . 0.0 112.024 -177.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.09 -50.59 61.09 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 120.07 1.305 . . . . 0.0 111.936 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -26.19 66.88 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -68.55 -51.23 45.11 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.655 1.182 . . . . 0.0 112.173 168.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -58.27 -34.05 70.08 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 120.693 -1.255 . . . . 0.0 111.919 173.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.35 -35.16 68.47 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 173.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 89.9 p -69.96 -43.27 71.89 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 119.98 -1.7 . . . . 0.0 110.858 171.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 53.4 t -53.53 -51.75 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.435 1.494 . . . . 0.0 111.063 170.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 86.2 p -64.68 -39.93 94.52 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.469 1.031 . . . . 0.0 113.055 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 4.0 m -51.91 -55.84 17.72 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 118.887 0.767 . . . . 0.0 110.253 170.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 30.6 m -69.65 -27.57 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -176.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.63 -12.33 59.96 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 119.28 0.946 . . . . 0.0 112.87 171.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 97.2 m -96.65 -28.52 14.29 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.361 1.464 . . . . 0.0 111.722 171.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 59.2 m -54.26 136.99 42.31 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.883 1.273 . . . . 0.0 112.44 170.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -75.24 106.14 6.62 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.891 0.877 . . . . 0.0 110.229 177.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -145.42 152.39 39.75 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.311 1.444 . . . . 0.0 111.364 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 127.368 2.267 . . . . 0.0 111.219 -176.327 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.326 2.2 p . . . . . 0 N--CA 1.513 2.715 0 CA-C-O 117.083 -1.437 . . . . 0.0 113.139 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 75.9 t60 14.08 83.96 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 128.292 2.637 . . . . 0.0 116.256 -172.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.01 161.11 8.83 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.43 0.692 . . . . 0.0 111.312 177.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 2.4 p -64.83 155.53 82.56 Favored Pre-proline 0 N--CA 1.48 1.065 0 O-C-N 121.663 -0.648 . . . . 0.0 109.575 163.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -55.83 -41.21 79.61 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 122.394 2.063 . . . . 0.0 113.781 175.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -68.18 -42.53 79.83 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.169 0.588 . . . . 0.0 111.577 177.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.41 -43.45 97.46 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.23 0.612 . . . . 0.0 111.208 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -54.78 -53.09 59.64 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.589 0.756 . . . . 0.0 111.256 172.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m -55.67 -41.83 74.23 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.179 0.9 . . . . 0.0 111.958 176.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.75 98.81 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 p -69.58 -56.64 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 120.112 1.323 . . . . 0.0 111.411 171.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -67.74 -36.18 80.09 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.221 0.919 . . . . 0.0 113.224 -168.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.74 88.68 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 120.08 1.309 . . . . 0.0 112.277 175.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 tt -72.58 -28.24 62.68 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.596 -0.69 . . . . 0.0 111.5 173.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -63.84 -41.13 97.9 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.276 -0.89 . . . . 0.0 111.339 166.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.51 -27.96 49.73 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 125.599 1.571 . . . . 0.0 115.512 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -100.25 -5.81 26.96 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.626 1.171 . . . . 0.0 113.939 174.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.16 138.5 23.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.485 1.114 . . . . 0.0 111.923 -174.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -88.9 67.25 8.17 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.15 0.98 . . . . 0.0 111.174 -175.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 48.8 t -39.74 -45.03 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -164.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -63.16 -57.3 11.01 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.043 0.937 . . . . 0.0 112.473 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -70.0 -52.3 25.35 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.101 0.96 . . . . 0.0 111.053 -175.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.07 -29.41 46.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 125.9 1.68 . . . . 0.0 112.41 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.9 -40.32 10.73 Favored Glycine 0 C--N 1.341 0.817 0 C-N-CA 124.245 0.926 . . . . 0.0 112.305 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.76 -41.31 99.02 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-N 118.306 1.053 . . . . 0.0 111.937 167.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -64.76 -41.08 96.15 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 118.0 -1.0 . . . . 0.0 112.803 171.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.46 -57.63 12.13 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 120.704 1.593 . . . . 0.0 111.415 174.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 31.1 tp -65.86 -39.7 90.98 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.414 -0.804 . . . . 0.0 112.416 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.39 -47.3 85.86 Favored Glycine 0 N--CA 1.469 0.861 0 CA-C-N 119.04 0.836 . . . . 0.0 112.409 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -52.3 -37.56 56.09 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.959 1.304 . . . . 0.0 112.897 172.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.12 -48.99 22.89 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.431 0.692 . . . . 0.0 111.035 176.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 32' ' ' LEU . . . . . 0.559 HD21 ' CE2' ' D' ' 45' ' ' PHE . 1.3 mm? -75.65 -30.93 59.61 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.236 -0.915 . . . . 0.0 112.457 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 1.1 m -70.78 -11.9 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-N 119.083 0.856 . . . . 0.0 113.228 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.82 -0.74 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 CA-C-N 120.439 1.472 . . . . 0.0 113.504 170.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 12.4 t80 45.74 47.08 3.65 Favored Pre-proline 0 CA--C 1.56 1.352 0 C-N-CA 125.652 1.581 . . . . 0.0 114.266 -166.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -81.72 170.04 14.55 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 123.129 2.553 . . . . 0.0 114.197 -171.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 4.9 p90 -57.67 -28.8 64.1 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 168.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -61.09 -21.72 63.95 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.497 1.519 . . . . 0.0 113.878 174.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -57.88 -24.16 56.37 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.605 1.093 . . . . 0.0 112.895 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.11 -33.8 8.79 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.743 1.217 . . . . 0.0 113.381 171.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -92.77 11.5 26.72 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.436 1.494 . . . . 0.0 113.67 -177.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -60.59 -15.76 31.25 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -50.59 -17.1 0.45 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 172.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 52.6 m -96.64 9.97 39.99 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.793 1.637 . . . . 0.0 114.815 174.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 45' ' ' PHE . . . . . 0.559 ' CE2' HD21 ' D' ' 32' ' ' LEU . 20.1 m-85 -110.54 -20.35 12.59 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 120.266 -1.521 . . . . 0.0 114.66 -172.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.47 -7.67 17.45 Favored Glycine 0 CA--C 1.54 1.646 0 N-CA-C 117.234 1.654 . . . . 0.0 117.234 170.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -151.33 -130.46 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 119.393 1.597 . . . . 0.0 111.522 -177.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 65.86 8.23 5.17 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.079 2.152 . . . . 0.0 115.449 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 88.3 p -58.17 -16.93 15.35 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 58.7 p -129.82 158.88 72.39 Favored Pre-proline 0 N--CA 1.471 0.621 0 C-N-CA 124.971 1.309 . . . . 0.0 110.324 154.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.05 -42.57 65.26 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 122.582 2.188 . . . . 0.0 114.258 172.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -59.53 -36.76 76.76 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.355 -0.84 . . . . 0.0 111.854 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.59 -36.82 85.48 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 176.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.65 -40.0 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 120.693 1.588 . . . . 0.0 112.688 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 5.1 ttm -80.5 -16.91 53.15 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -176.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -103.21 -22.91 8.82 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 125.211 1.386 . . . . 0.0 115.039 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -54.04 120.21 23.45 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.17 1.388 . . . . 0.0 111.974 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -61.23 -29.56 86.71 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.463 2.108 . . . . 0.0 113.127 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -63.29 -38.79 92.54 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.797 1.18 . . . . 0.0 112.16 171.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 70.4 t -69.63 -34.52 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 119.518 1.054 . . . . 0.0 111.753 174.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -67.04 -50.16 62.89 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 120.231 1.378 . . . . 0.0 111.717 173.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.18 -49.18 78.66 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.557 1.143 . . . . 0.0 112.519 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -67.45 -32.93 74.12 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.935 -1.103 . . . . 0.0 111.929 176.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.52 -47.94 80.19 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 126.295 1.902 . . . . 0.0 113.377 168.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -56.89 -44.46 82.35 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 117.969 0.884 . . . . 0.0 111.042 169.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -61.85 -50.41 72.36 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.746 0.818 . . . . 0.0 112.779 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 p -60.25 -45.29 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 CA-C-N 119.796 1.18 . . . . 0.0 112.35 174.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.87 -33.67 68.57 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.22 -0.925 . . . . 0.0 112.211 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.9 -34.87 78.04 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.242 1.401 . . . . 0.0 113.211 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.52 -50.98 71.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.635 1.218 . . . . 0.0 110.459 165.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -54.08 -38.94 65.87 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 120.918 -1.114 . . . . 0.0 113.633 173.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 1.3 p -65.31 -36.36 83.83 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.841 -1.162 . . . . 0.0 113.425 173.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -27.08 68.12 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.461 -0.774 . . . . 0.0 112.197 169.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.87 -63.04 5.63 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 166.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 mt -53.9 -33.78 57.58 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 176.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.49 -24.48 59.02 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 176.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -141.08 40.59 1.79 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.134 1.374 . . . . 0.0 113.263 -172.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 77.8 mt -55.92 -21.5 20.86 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 176.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -59.19 -38.62 80.3 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.875 1.27 . . . . 0.0 113.576 175.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -161.25 61.76 0.28 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.357 1.063 . . . . 0.0 113.227 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 81' ' ' LEU . . . . . 0.497 ' H ' HD23 ' D' ' 81' ' ' LEU . 0.5 OUTLIER -61.23 -18.54 58.84 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -179.351 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -55.45 -30.99 61.56 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.688 -1.257 . . . . 0.0 113.289 173.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.74 -23.63 41.67 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.299 0.952 . . . . 0.0 114.484 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.89 -16.73 43.25 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 118.993 1.396 . . . . 0.0 113.562 -178.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -113.49 1.0 14.88 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -174.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.45 -35.28 38.9 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 121.066 1.757 . . . . 0.0 115.555 -168.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 22.0 p -66.44 -40.24 89.36 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.419 1.088 . . . . 0.0 113.041 173.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 23.0 mt -67.07 -47.66 70.59 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 123.559 0.744 . . . . 0.0 110.008 171.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 4.5 m -55.97 -40.76 73.74 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.285 0.948 . . . . 0.0 112.194 177.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -60.24 -53.07 62.08 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.713 0.805 . . . . 0.0 111.593 171.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 44.9 tp -52.88 -46.16 67.79 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.118 -0.989 . . . . 0.0 111.932 174.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -80.38 -13.53 59.07 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.838 -1.164 . . . . 0.0 113.771 -174.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 42.0 t -102.38 -75.89 0.59 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.833 0.853 . . . . 0.0 110.18 169.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.5 -21.71 64.46 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.013 1.725 . . . . 0.0 115.158 -171.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -111.14 -20.22 12.43 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 175.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 80.4 mt -127.7 -34.87 2.16 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -176.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 35.32 19.09 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 130.239 3.416 . . . . 0.0 119.692 -175.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 1.4 m -51.34 149.44 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 125.463 1.505 . . . . 0.0 113.5 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.96 141.62 95.48 Favored Pre-proline 0 CA--C 1.555 1.146 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -45.49 -39.03 16.75 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 125.158 3.906 . . . . 0.0 116.472 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -51.76 -27.07 10.94 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 173.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 102' ' ' ASN . . . . . 0.532 ' HB3' HMC1 ' D' ' 201' ' ' HEC . 1.9 m-80 -65.04 -44.33 89.42 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.855 -1.153 . . . . 0.0 110.808 175.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -67.28 -43.96 80.48 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.274 1.029 . . . . 0.0 110.151 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -43.29 80.38 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.52 1.128 . . . . 0.0 112.06 172.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 105' ' ' LEU . . . . . 0.403 ' O ' HG13 ' D' ' 109' ' ' VAL . 10.2 tt -62.57 -47.28 84.52 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.057 0.943 . . . . 0.0 111.497 173.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.31 -41.51 69.05 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.327 0.967 . . . . 0.0 111.046 173.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.33 -48.39 80.81 Favored Glycine 0 CA--C 1.523 0.578 0 CA-C-O 118.823 -0.987 . . . . 0.0 113.958 171.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -52.48 -50.76 62.06 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.041 1.421 . . . . 0.0 111.406 172.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 109' ' ' VAL . . . . . 0.403 HG13 ' O ' ' D' ' 105' ' ' LEU . 0.7 OUTLIER -62.18 -38.26 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 O-C-N 121.514 -0.741 . . . . 0.0 111.872 -179.301 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.09 -57.54 10.27 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.476 1.111 . . . . 0.0 111.797 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 111' ' ' VAL . . . . . 0.457 HG12 ' HB3' ' D' ' 130' ' ' TYR . 12.2 m -60.8 -32.01 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 119.001 0.819 . . . . 0.0 111.586 -175.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 69.2 m -59.76 -46.14 90.09 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 117.523 -1.227 . . . . 0.0 112.812 173.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.64 -44.24 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 CA-C-N 121.75 2.068 . . . . 0.0 113.294 -175.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 114' ' ' LEU . . . . . 0.432 ' H ' ' HG ' ' D' ' 114' ' ' LEU . 0.2 OUTLIER -65.63 -36.57 84.07 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 125.166 1.387 . . . . 0.0 110.034 -176.725 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 115' ' ' ALA . . . . . 0.483 ' HB2' ' CD1' ' D' ' 122' ' ' PHE . . . -66.52 -7.1 17.66 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 173.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 116' ' ' HIS . . . . . 0.406 ' CE1' ' CB ' ' C' ' 110' ' ' ALA . 0.8 OUTLIER -109.75 -41.74 4.45 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.621 1.1 . . . . 0.0 111.0 -176.807 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -63.6 -38.33 90.72 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.757 -0.589 . . . . 0.0 112.145 164.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -127.38 25.0 6.18 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.763 1.225 . . . . 0.0 112.872 -167.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -48.11 -35.18 13.4 Favored Glycine 0 N--CA 1.481 1.668 0 C-N-CA 125.163 1.363 . . . . 0.0 115.512 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -55.28 -34.54 64.19 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 126.011 1.724 . . . . 0.0 113.885 172.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -104.93 -20.16 13.64 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.499 1.92 . . . . 0.0 112.736 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 122' ' ' PHE . . . . . 0.483 ' CD1' ' HB2' ' D' ' 115' ' ' ALA . 11.1 t80 -78.28 71.78 4.77 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.812 1.645 . . . . 0.0 111.905 -178.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 69.4 p -61.59 161.59 19.52 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 124.747 1.219 . . . . 0.0 112.15 175.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -43.72 -50.19 7.35 Favored 'Trans proline' 0 CA--C 1.55 1.291 0 C-N-CA 123.196 2.597 . . . . 0.0 115.014 166.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -65.53 -33.13 47.32 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.965 1.777 . . . . 0.0 115.478 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 14.6 t -52.17 -43.99 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 CA-C-N 120.567 1.53 . . . . 0.0 111.864 172.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.7 -43.02 99.66 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.155 -0.965 . . . . 0.0 112.147 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.25 -30.02 70.82 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.173 0.989 . . . . 0.0 113.411 175.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.53 -55.37 13.77 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.478 0.581 . . . . 0.0 111.036 172.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 130' ' ' TYR . . . . . 0.457 ' HB3' HG12 ' D' ' 111' ' ' VAL . 31.3 m-85 -56.06 -44.07 78.55 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.665 -0.647 . . . . 0.0 112.438 177.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -55.85 -42.42 75.77 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.55 -0.718 . . . . 0.0 112.713 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -64.93 -44.02 90.84 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 119.747 1.158 . . . . 0.0 113.346 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 2.1 p -70.35 -38.4 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 O-C-N 121.228 -0.92 . . . . 0.0 112.35 175.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.84 -36.84 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.583 -0.698 . . . . 0.0 111.957 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.2 95.15 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.195 -0.941 . . . . 0.0 111.865 169.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.84 -48.76 75.84 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 121.825 -0.547 . . . . 0.0 112.759 169.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.64 -45.69 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 118.125 0.962 . . . . 0.0 111.848 174.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.75 76.3 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.129 0.572 . . . . 0.0 111.459 177.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -35.45 80.97 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.849 -0.532 . . . . 0.0 111.613 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.93 77.09 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.495 0.589 . . . . 0.0 112.042 175.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.18 -33.64 76.23 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.816 1.189 . . . . 0.0 111.793 172.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.79 -9.07 53.24 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 170.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -51.16 -42.77 61.02 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.372 -1.455 . . . . 0.0 113.759 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -70.58 1.33 5.33 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -60.11 -17.05 37.29 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 120.033 1.288 . . . . 0.0 112.631 168.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 . . . . . 0 C--O 1.254 1.323 0 C-N-CA 126.556 1.943 . . . . 0.0 112.884 174.627 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.518 HMA1 ' HB2' ' A' ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 201' ' ' HEC . . . . . 0.535 HMC1 ' HB3' ' B' ' 102' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 201' ' ' HEC . . . . . 0.536 HMA1 ' HB2' ' C' ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 201' ' ' HEC . . . . . 0.532 HMC1 ' HB3' ' D' ' 102' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.514 2.726 0 N-CA-C 116.33 1.974 . . . . 0.0 116.33 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.531 HD13 ' CG2' ' A' ' 73' ' ' VAL . 5.1 mp -130.28 -169.51 2.15 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 121.681 2.037 . . . . 0.0 111.091 -174.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 t 150.4 -35.71 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.721 0 C-N-CA 129.994 3.318 . . . . 0.0 115.421 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -57.66 -176.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 124.466 3.444 . . . . 0.0 116.02 177.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.55 -27.45 1.13 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.531 1.532 . . . . 0.0 115.053 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -54.65 -44.14 72.99 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.822 1.249 . . . . 0.0 113.244 171.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -58.39 -50.83 72.27 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.782 0.833 . . . . 0.0 110.531 170.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.3 m -57.25 -42.34 81.34 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.816 0.846 . . . . 0.0 111.799 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.08 -41.45 77.52 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.123 0.969 . . . . 0.0 112.488 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.99 -38.28 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 119.369 0.986 . . . . 0.0 111.944 173.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -57.01 -47.71 80.22 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.532 1.133 . . . . 0.0 111.716 169.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.66 -51.5 69.67 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.281 0.632 . . . . 0.0 111.448 175.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.6 -54.4 47.47 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.974 0.51 . . . . 0.0 112.155 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -63.89 -29.4 70.59 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.153 -0.967 . . . . 0.0 112.954 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.95 -39.39 96.45 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.457 1.027 . . . . 0.0 113.21 170.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -69.08 -38.15 78.85 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 118.675 1.237 . . . . 0.0 111.605 171.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.8 t -59.28 -53.06 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.729 1.212 . . . . 0.0 111.51 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.64 -128.6 4.0 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.465 1.031 . . . . 0.0 114.442 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.42 -21.99 52.69 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -72.76 -8.27 54.63 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 175.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.469 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -49.58 -50.12 43.76 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.176 0.898 . . . . 0.0 113.244 -178.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.56 -36.56 93.31 Favored Glycine 0 N--CA 1.47 0.917 0 O-C-N 122.005 -0.435 . . . . 0.0 113.544 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.24 -49.89 73.91 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.485 1.114 . . . . 0.0 111.274 171.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -63.45 -37.55 87.71 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.433 1.015 . . . . 0.0 112.237 175.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.32 -60.09 9.39 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.302 0.953 . . . . 0.0 111.66 170.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.07 72.4 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.676 1.19 . . . . 0.0 112.247 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.72 -33.42 71.59 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.787 1.235 . . . . 0.0 113.214 174.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.75 -36.33 70.39 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.135 0.88 . . . . 0.0 111.77 174.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 mt -62.16 -49.38 76.06 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 118.654 0.661 . . . . 0.0 110.314 170.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -56.03 -54.29 46.71 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.096 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -51.46 -51.36 55.69 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 117.914 -1.041 . . . . 0.0 111.378 173.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 57.1 ttp -53.89 -44.56 70.59 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.978 0.808 . . . . 0.0 113.175 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -67.23 -25.38 66.07 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 pp -112.02 -17.93 12.74 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -175.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.7 p -82.39 -28.49 31.42 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.161 1.384 . . . . 0.0 112.993 164.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -141.57 70.7 25.89 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 124.868 1.267 . . . . 0.0 110.794 -175.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -46.81 -28.06 6.37 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 125.006 3.804 . . . . 0.0 116.491 -175.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -16.51 1.42 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.979 2.111 . . . . 0.0 114.47 171.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.3 p -79.67 -23.52 42.41 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.583 -1.323 . . . . 0.0 113.806 173.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -58.57 -32.52 69.01 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.111 1.323 . . . . 0.0 113.732 -177.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.2 t -62.77 -26.21 68.6 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -74.53 3.92 6.9 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.196 0.998 . . . . 0.0 112.714 173.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -126.46 62.71 49.24 Favored Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 127.105 2.162 . . . . 0.0 110.593 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -73.47 2.38 5.8 Favored 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 124.367 3.378 . . . . 0.0 115.663 -172.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -139.94 25.64 2.31 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.081 1.352 . . . . 0.0 113.112 -169.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.91 167.33 13.7 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.668 1.187 . . . . 0.0 113.543 -164.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -117.77 110.82 18.28 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.901 1.281 . . . . 0.0 109.573 176.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.07 3.86 18.98 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.958 1.303 . . . . 0.0 112.97 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.3 m -49.53 138.32 13.87 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.992 1.717 . . . . 0.0 112.489 175.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.45 127.38 31.79 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.732 -0.605 . . . . 0.0 111.51 -177.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.23 15.32 81.67 Favored Glycine 0 CA--C 1.539 1.56 0 CA-C-O 118.734 -1.037 . . . . 0.0 115.35 -176.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.6 t -48.11 121.79 4.6 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.409 1.484 . . . . 0.0 113.524 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.52 -36.55 55.68 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.902 1.281 . . . . 0.0 112.903 176.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -66.8 -38.13 85.9 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.19 0.596 . . . . 0.0 111.998 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.4 t -66.85 -40.39 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 O-C-N 121.492 -0.755 . . . . 0.0 111.066 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -59.66 -51.53 69.38 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 118.966 0.803 . . . . 0.0 110.536 172.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.27 -47.14 92.58 Favored Glycine 0 N--CA 1.471 1.024 0 C-N-CA 124.886 1.231 . . . . 0.0 113.33 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -63.85 -41.03 97.89 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.165 0.983 . . . . 0.0 111.55 172.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.4 -48.43 54.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 121.188 -0.945 . . . . 0.0 113.744 171.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -57.61 -39.83 77.74 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.006 0.922 . . . . 0.0 112.05 172.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -47.94 69.71 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 176.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 66.1 t -56.5 -44.79 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-N 120.433 1.47 . . . . 0.0 111.087 173.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.469 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -59.9 -51.5 69.44 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 175.096 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -59.71 -34.72 73.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.268 0.627 . . . . 0.0 111.641 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.44 ' HB2' HMA1 ' A' ' 201' ' ' HEC . . . -65.72 -36.18 82.87 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.714 -1.241 . . . . 0.0 113.998 169.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.14 -40.21 94.1 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.718 1.145 . . . . 0.0 111.277 169.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 56.1 m -60.65 -43.45 97.56 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.479 1.036 . . . . 0.0 112.309 170.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -61.07 -42.69 98.98 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.808 1.643 . . . . 0.0 111.919 175.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.4 -51.85 67.73 Favored 'General case' 0 C--O 1.22 -0.449 0 O-C-N 121.152 -0.967 . . . . 0.0 111.137 168.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.6 t -54.57 -31.85 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.798 1.239 . . . . 0.0 113.386 177.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.52 -24.89 56.86 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 175.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -138.95 18.98 2.64 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.611 1.165 . . . . 0.0 113.805 -167.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.531 ' CG2' HD13 ' A' ' 2' ' ' LEU . 6.9 p -58.78 -25.62 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 O-C-N 120.302 -1.499 . . . . 0.0 114.46 -170.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -80.34 -9.35 59.74 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 121.058 -1.026 . . . . 0.0 113.119 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -135.09 21.05 3.46 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 128.183 2.593 . . . . 0.0 111.277 -175.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.8 ttm -58.96 -32.76 13.74 Favored Pre-proline 0 CA--C 1.551 0.985 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -162.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -53.49 23.85 0.02 OUTLIER 'Trans proline' 0 CA--C 1.555 1.543 1 C-N-CA 127.221 5.281 . . . . 0.0 119.031 168.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -143.86 -40.74 0.28 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 127.24 2.216 . . . . 0.0 110.835 173.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.42 -35.64 79.86 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.2 mt -92.66 6.2 48.27 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.3 m -58.07 -33.42 69.03 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.246 1.385 . . . . 0.0 114.645 -174.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.24 -33.44 73.51 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.062 -1.024 . . . . 0.0 112.66 171.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.8 mt -80.81 -39.98 25.75 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 124.399 1.08 . . . . 0.0 111.366 -178.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 94.3 p -66.65 -33.15 75.01 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 118.524 -0.75 . . . . 0.0 112.004 170.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -53.82 51.67 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.623 1.101 . . . . 0.0 111.221 168.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 31.6 tp -52.16 -64.88 0.67 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.052 0.541 . . . . 0.0 110.485 171.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.29 7.54 0.14 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 126.188 1.795 . . . . 0.0 115.32 -173.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -130.15 -34.82 1.63 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.185 1.394 . . . . 0.0 113.067 173.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -79.84 -34.69 39.2 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.696 0.798 . . . . 0.0 112.596 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -154.4 119.48 5.01 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.919 1.288 . . . . 0.0 111.181 -177.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 70.04 93.82 0.08 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.193 1.797 . . . . 0.0 110.168 -173.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.499 HH21 HG13 ' D' ' 98' ' ' VAL . 0.0 OUTLIER -62.75 -10.82 14.15 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 -172.256 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.0 t 30.66 89.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 C-N-CA 128.407 2.683 . . . . 0.0 114.292 -173.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -55.25 135.4 68.9 Favored Pre-proline 0 CA--C 1.546 0.808 0 CA-C-O 118.0 -1.0 . . . . 0.0 112.027 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -45.38 -30.49 5.62 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.607 2.871 . . . . 0.0 115.79 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.2 p -56.92 -40.5 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 120.731 -1.231 . . . . 0.0 112.773 174.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.54 ' HB3' HMC1 ' A' ' 201' ' ' HEC . 55.1 m-20 -68.92 -35.22 76.56 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 120.845 -1.16 . . . . 0.0 112.215 -175.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -46.97 64.69 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.053 0.388 . . . . 0.0 110.327 168.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -63.64 -39.1 93.5 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.137 0.575 . . . . 0.0 110.62 -174.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.0 mt -59.18 -56.19 25.31 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.571 0.748 . . . . 0.0 111.239 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.609 HD23 HMC3 ' A' ' 201' ' ' HEC . 0.2 OUTLIER -64.19 -37.21 86.64 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.79 0.723 . . . . 0.0 111.54 -178.186 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.6 t -59.0 -48.46 81.51 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.71 1.204 . . . . 0.0 112.314 173.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -56.8 -44.03 81.52 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.13 -0.981 . . . . 0.0 111.709 172.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 71.9 m -63.78 -37.68 88.29 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 175.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 35.7 mt -60.92 -46.66 89.77 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.463 1.028 . . . . 0.0 111.925 172.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 75.1 mt -53.38 -47.68 69.27 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.525 1.057 . . . . 0.0 110.732 174.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.6 t -55.94 -48.12 79.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 118.735 -0.65 . . . . 0.0 112.423 174.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.5 p -68.27 -40.15 81.94 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.753 1.615 . . . . 0.0 113.284 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.0 -44.1 87.01 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.592 1.087 . . . . 0.0 110.091 175.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.83 -30.77 64.09 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 175.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.74 -7.83 23.87 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -135.3 -43.82 0.7 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.45 1.1 . . . . 0.0 113.905 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.52 166.36 42.84 Favored Pre-proline 0 CA--C 1.562 1.422 0 C-N-CA 123.587 0.755 . . . . 0.0 109.388 172.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -58.71 -136.29 0.0 OUTLIER 'Trans proline' 0 CA--C 1.551 1.361 1 C-N-CA 125.806 4.337 . . . . 0.0 115.861 174.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.43 28.02 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.156 0 O-C-N 119.214 -2.179 . . . . 0.0 114.613 172.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.21 -19.74 2.19 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 129.439 3.096 . . . . 0.0 117.147 -151.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.535 ' CE2' HG12 ' B' ' 113' ' ' VAL . 20.8 p90 -74.03 37.65 0.1 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.814 2.046 . . . . 0.0 109.476 161.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.01 167.7 29.35 Favored Pre-proline 0 N--CA 1.488 1.454 0 C-N-CA 126.157 1.783 . . . . 0.0 112.041 -170.332 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.94 -40.11 58.59 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.032 1.822 . . . . 0.0 114.924 174.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.69 -58.51 2.78 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.854 0.462 . . . . 0.0 109.961 174.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.66 -30.14 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 121.018 -1.051 . . . . 0.0 112.663 -168.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.62 -50.02 54.69 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 120.497 -1.377 . . . . 0.0 111.705 170.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.99 -39.86 79.29 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.982 0.81 . . . . 0.0 110.312 176.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.3 m -58.98 -60.87 3.18 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 125.58 1.552 . . . . 0.0 111.905 174.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 52.4 mt -64.85 -39.62 93.86 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 117.862 -1.066 . . . . 0.0 112.019 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -55.56 -56.5 19.58 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 120.45 1.477 . . . . 0.0 111.798 173.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -33.27 71.73 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -69.08 -50.28 49.77 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.604 1.093 . . . . 0.0 111.369 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.3 -39.58 87.44 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.122 0.873 . . . . 0.0 110.611 172.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.19 80.43 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.835 1.198 . . . . 0.0 113.179 172.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.8 p -68.59 -40.53 80.43 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.861 1.21 . . . . 0.0 112.401 171.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 78.2 t -55.39 -50.14 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.9 t -50.93 -61.92 1.92 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.333 1.053 . . . . 0.0 112.329 171.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 51.6 m -47.54 -34.86 8.14 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.0 1.32 . . . . 0.0 113.446 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 89.5 t -83.75 -45.12 18.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.545 0.738 . . . . 0.0 111.907 177.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.97 -27.92 69.18 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.285 1.034 . . . . 0.0 113.34 175.079 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 36.1 p -103.3 10.94 37.31 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 127.421 2.289 . . . . 0.0 112.551 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 40.2 t -39.29 113.66 0.34 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.781 1.632 . . . . 0.0 113.077 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -59.5 -39.89 85.25 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.375 1.07 . . . . 0.0 113.034 -163.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 18.7 t80 48.91 -149.47 0.2 Allowed 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 125.143 1.377 . . . . 0.0 113.077 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 . . . . . 0 C--O 1.255 1.394 0 C-N-CA 127.316 2.247 . . . . 0.0 111.507 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.298 4.7 p . . . . . 0 N--CA 1.515 2.784 0 CA-C-O 116.765 -1.588 . . . . 0.0 113.726 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -1.26 88.73 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 128.587 2.755 . . . . 0.0 115.678 -169.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.33 161.64 19.19 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 122.16 -0.337 . . . . 0.0 110.866 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.04 148.79 94.54 Favored Pre-proline 0 N--CA 1.479 0.992 0 CA-C-O 118.362 -0.828 . . . . 0.0 109.069 163.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -52.7 -41.74 67.32 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 123.287 2.658 . . . . 0.0 115.598 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -69.93 -35.55 74.64 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.373 -0.83 . . . . 0.0 112.295 177.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.51 -44.77 73.96 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.56 -0.712 . . . . 0.0 111.484 172.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.99 -47.23 68.39 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.146 0.978 . . . . 0.0 111.161 170.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.9 t -57.52 -48.39 79.4 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.113 0.87 . . . . 0.0 111.188 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.21 -49.87 74.65 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.695 HG23 ' CE1' ' B' ' 130' ' ' TYR . 2.3 p -65.22 -52.23 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 119.792 1.178 . . . . 0.0 111.882 175.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -71.61 -35.91 70.63 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.156 0.889 . . . . 0.0 111.951 -164.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.62 94.27 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.544 0.611 . . . . 0.0 112.194 172.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 tt -73.0 -35.0 66.74 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.422 -0.799 . . . . 0.0 111.627 177.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -29.42 70.7 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.73 -1.231 . . . . 0.0 113.103 165.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.04 -41.18 98.65 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.37 0.986 . . . . 0.0 113.247 175.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -84.13 -18.19 37.62 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 175.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.436 HG21 HD21 ' B' ' 114' ' ' LEU . 0.3 OUTLIER -56.7 137.87 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 121.694 0.759 . . . . 0.0 112.971 -172.849 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -83.48 72.23 10.27 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.708 1.203 . . . . 0.0 110.173 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 76.2 t -41.69 -49.03 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 125.581 1.552 . . . . 0.0 115.171 -164.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.91 -49.89 74.37 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.992 1.317 . . . . 0.0 114.29 174.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -70.18 -55.13 10.11 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.152 0.581 . . . . 0.0 110.63 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.49 -37.53 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 124.638 1.175 . . . . 0.0 112.249 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.43 -42.75 26.71 Favored Glycine 0 C--N 1.339 0.711 0 C-N-CA 123.876 0.751 . . . . 0.0 111.376 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.42 -43.76 97.18 Favored Glycine 0 CA--C 1.525 0.688 0 CA-C-N 117.899 0.85 . . . . 0.0 112.561 170.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.77 -43.85 87.59 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.239 1.019 . . . . 0.0 111.81 175.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.29 -50.38 60.51 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 120.734 -1.229 . . . . 0.0 113.129 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 tp -62.02 -47.04 86.51 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.91 -45.17 81.61 Favored Glycine 0 CA--C 1.524 0.598 0 CA-C-O 118.636 -1.091 . . . . 0.0 113.515 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.433 ' HD2' ' SD ' ' B' ' 55' ' ' MET . 3.6 mpt_? -65.76 -44.37 86.09 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.448 1.624 . . . . 0.0 111.793 174.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.35 -47.73 62.67 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.261 1.391 . . . . 0.0 110.863 170.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.8 mt -61.1 2.47 0.13 Allowed 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 m -135.69 -27.97 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.528 1.531 . . . . 0.0 114.275 177.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -24.13 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 121.106 1.775 . . . . 0.0 111.319 165.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -128.58 68.28 77.88 Favored Pre-proline 0 CA--C 1.531 0.222 0 C-N-CA 124.149 0.98 . . . . 0.0 109.674 -169.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -61.59 -18.9 62.56 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.855 3.037 . . . . 0.0 114.777 -163.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -32.22 49.47 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.16 0.984 . . . . 0.0 113.287 166.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 81.2 p -59.28 -10.51 3.04 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.414 -1.429 . . . . 0.0 114.766 172.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -50.88 -34.74 29.46 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 117.433 -1.27 . . . . 0.0 113.871 172.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -38.38 64.01 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 122.101 2.228 . . . . 0.0 113.531 -173.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -72.91 -6.68 46.8 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.795 1.238 . . . . 0.0 113.423 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -16.54 13.57 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 172.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -50.58 -25.89 4.66 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 166.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -106.32 -28.87 10.12 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.867 1.267 . . . . 0.0 113.06 173.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -79.24 -17.09 55.43 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.64 -176.31 20.27 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.181 0.896 . . . . 0.0 112.874 -169.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 27.61 -96.75 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 128.092 2.557 . . . . 0.0 115.186 173.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 tt 53.98 -16.23 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 128.877 2.871 . . . . 0.0 117.743 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 6.0 t -59.09 -14.81 11.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.882 2.073 . . . . 0.0 115.248 -170.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 18.6 p -130.05 155.17 81.09 Favored Pre-proline 0 N--CA 1.472 0.661 0 C-N-CA 124.487 1.115 . . . . 0.0 111.658 169.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -41.81 -52.74 3.75 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 124.839 3.693 . . . . 0.0 116.039 165.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.18 -34.8 76.97 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 122.987 0.515 . . . . 0.0 112.051 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.69 -55.75 29.5 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 122.089 -0.382 . . . . 0.0 110.874 172.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.6 -30.92 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -173.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' MET . . . . . 0.433 ' SD ' ' HD2' ' B' ' 30' ' ' ARG . 2.5 tpp -76.5 -35.33 58.42 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 175.221 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.85 -35.25 54.8 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 121.694 -0.629 . . . . 0.0 113.629 176.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -52.0 116.51 8.36 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 125.218 1.407 . . . . 0.0 114.127 -168.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -64.55 -27.97 61.59 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.605 2.203 . . . . 0.0 113.155 -174.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -71.23 -31.5 67.64 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 121.083 -1.011 . . . . 0.0 112.874 174.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 97.7 t -65.25 -41.44 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 CA-C-N 118.622 0.646 . . . . 0.0 110.381 167.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -61.42 -46.25 90.9 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.939 0.791 . . . . 0.0 112.612 171.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.37 -47.51 78.99 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.566 1.146 . . . . 0.0 113.221 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -60.09 -39.18 85.25 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.126 -0.984 . . . . 0.0 110.699 169.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -47.99 -52.43 16.86 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 125.971 1.748 . . . . 0.0 114.317 167.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -55.43 -45.31 76.78 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 118.068 0.934 . . . . 0.0 111.448 173.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -63.63 -53.16 55.91 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.293 1.037 . . . . 0.0 113.364 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.59 -48.19 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-N 120.058 1.299 . . . . 0.0 111.786 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.4 tt -69.31 -39.36 78.3 Favored 'General case' 0 C--O 1.223 -0.306 0 O-C-N 121.665 -0.647 . . . . 0.0 111.4 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.3 -34.74 59.49 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.332 0.968 . . . . 0.0 112.912 176.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.19 -44.17 89.26 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.034 0.917 . . . . 0.0 112.458 168.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -58.94 -40.79 85.73 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 120.588 -1.32 . . . . 0.0 110.88 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -67.18 -42.59 83.99 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.457 1.103 . . . . 0.0 112.975 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -58.99 -36.5 75.0 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.679 0.792 . . . . 0.0 111.324 170.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.35 -58.13 16.17 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 123.866 0.746 . . . . 0.0 111.512 168.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mt -55.09 -30.49 59.8 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 118.513 1.157 . . . . 0.0 113.88 177.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.39 -23.31 40.52 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 173.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -143.53 58.35 1.38 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.432 1.893 . . . . 0.0 112.332 -173.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 90.6 mt -68.47 -7.56 33.11 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.1 -1.0 . . . . 0.0 113.288 175.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -64.8 -27.6 68.99 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -176.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.04 90.37 0.83 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.298 1.039 . . . . 0.0 112.675 170.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 mt -59.87 -40.32 88.25 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.106 -0.996 . . . . 0.0 112.76 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -57.72 -29.09 64.44 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.363 1.065 . . . . 0.0 112.665 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -92.0 -48.18 3.18 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 125.097 1.332 . . . . 0.0 113.175 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.6 t -64.97 -23.06 67.11 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 118.839 1.32 . . . . 0.0 112.621 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -110.89 16.08 21.46 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 124.759 1.224 . . . . 0.0 113.847 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.29 -44.54 72.01 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 120.957 1.708 . . . . 0.0 113.122 -177.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 17.5 p -62.94 -40.93 99.14 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.785 1.234 . . . . 0.0 112.595 173.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 21.3 mt -68.56 -39.57 80.98 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.789 -0.569 . . . . 0.0 111.51 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 8.5 t -61.36 -46.38 90.47 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 124.234 1.014 . . . . 0.0 110.946 175.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -57.9 -49.71 75.8 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.71 0.804 . . . . 0.0 112.433 171.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.4 tp -51.5 -56.61 12.42 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.936 0.894 . . . . 0.0 111.296 173.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -74.44 20.62 0.11 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.7 1.6 . . . . 0.0 113.707 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 94.2 m -136.32 -74.01 0.44 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.559 1.544 . . . . 0.0 110.702 171.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.93 -29.2 70.13 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.153 1.781 . . . . 0.0 113.551 -175.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.25 -44.39 8.35 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.678 0.791 . . . . 0.0 111.559 170.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.88 76.1 1.05 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.087 1.355 . . . . 0.0 113.403 -173.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -53.86 33.16 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 129.72 3.208 . . . . 0.0 115.009 163.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' VAL . . . . . 0.492 HG13 HH21 ' C' ' 92' ' ' ARG . 14.0 t -55.7 143.65 8.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 127.489 2.316 . . . . 0.0 111.998 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.61 126.93 1.47 Allowed Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 124.959 1.303 . . . . 0.0 113.398 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.54 -25.59 34.79 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.521 2.148 . . . . 0.0 113.91 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -59.6 -39.6 84.71 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 120.929 1.695 . . . . 0.0 111.159 177.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -57.64 -25.81 60.69 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' PHE . . . . . 0.409 ' CD1' HMC2 ' B' ' 201' ' ' HEC . 4.8 m-85 -72.66 -45.27 59.78 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.253 0.933 . . . . 0.0 109.917 174.066 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -44.46 83.34 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.828 1.251 . . . . 0.0 110.571 172.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.25 -46.92 86.68 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.127 0.971 . . . . 0.0 111.392 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.4 tt -53.86 -45.39 70.97 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.459 1.027 . . . . 0.0 110.678 174.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -52.93 -55.15 25.1 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 123.29 0.471 . . . . 0.0 113.138 172.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -58.96 -36.26 74.52 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 89.5 t -67.25 -52.55 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 O-C-N 121.365 -0.834 . . . . 0.0 110.181 176.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 34.0 tp -55.08 -52.84 61.96 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 118.764 0.711 . . . . 0.0 111.574 -174.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 35.2 m -56.42 -34.61 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 7.8 t -69.31 -35.48 76.02 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.801 -0.562 . . . . 0.0 111.393 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' VAL . . . . . 0.535 HG12 ' CE2' ' A' ' 117' ' ' PHE . 0.7 OUTLIER -69.58 -36.75 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 O-C-N 121.213 -0.929 . . . . 0.0 111.793 176.002 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.436 HD21 HG21 ' B' ' 18' ' ' VAL . 3.7 mp -67.36 -38.37 84.69 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.909 0.777 . . . . 0.0 112.324 172.096 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.55 -24.51 32.7 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 169.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -53.17 6.91 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 169.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.89 -26.49 65.14 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.976 0.807 . . . . 0.0 113.054 -174.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -133.83 23.65 3.94 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.103 1.361 . . . . 0.0 112.391 -170.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -46.24 -37.68 8.23 Favored Glycine 0 N--CA 1.476 1.331 0 C-N-CA 125.564 1.554 . . . . 0.0 116.646 -172.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -61.3 -30.59 70.58 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.288 1.435 . . . . 0.0 113.382 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -103.7 -11.51 17.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.63 1.972 . . . . 0.0 112.596 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -81.99 60.49 4.85 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.104 1.362 . . . . 0.0 112.772 -174.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 33.5 p -53.41 159.08 2.43 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 125.907 1.683 . . . . 0.0 113.353 -174.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -49.2 -50.03 13.91 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 121.896 1.731 . . . . 0.0 114.315 172.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -65.33 -23.1 59.34 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 CA-C-N 121.239 1.478 . . . . 0.0 115.168 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.14 -41.26 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 121.643 2.02 . . . . 0.0 111.796 175.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -58.1 -47.27 83.75 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.85 0.75 . . . . 0.0 110.644 173.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.1 -31.33 72.49 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 176.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.26 -50.64 59.68 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.481 0.712 . . . . 0.0 110.02 175.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.695 ' CE1' HG23 ' B' ' 11' ' ' VAL . 50.6 m-85 -55.96 -49.16 74.32 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 171.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -60.09 -34.15 73.08 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 118.659 -0.686 . . . . 0.0 112.599 -176.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -68.19 -38.71 82.29 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 171.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 18.8 t -64.45 -43.86 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 CA-C-N 120.097 1.317 . . . . 0.0 110.638 171.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 45.8 t -84.07 -30.39 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -167.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.14 -44.05 92.06 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.627 1.103 . . . . 0.0 110.938 163.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.82 -48.97 82.59 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 123.741 0.686 . . . . 0.0 113.234 171.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.96 -47.38 83.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.453 1.101 . . . . 0.0 111.938 175.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.4 89.11 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.083 0.856 . . . . 0.0 111.53 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -62.09 -39.06 91.17 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.849 -0.532 . . . . 0.0 112.085 175.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.44 -44.09 83.83 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.655 0.782 . . . . 0.0 112.109 173.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.52 -24.92 66.45 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.788 -1.195 . . . . 0.0 112.749 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.67 -2.51 57.62 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 169.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -57.81 -38.77 76.15 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 119.673 -1.892 . . . . 0.0 113.627 -175.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -69.21 6.06 1.08 Allowed 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 174.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -73.03 9.96 1.05 Allowed 'General case' 0 CA--C 1.558 1.288 0 CA-C-N 120.264 1.393 . . . . 0.0 112.847 171.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.342 0 C-N-CA 127.154 2.181 . . . . 0.0 114.54 174.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.514 2.772 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.519 HD13 ' CG2' ' C' ' 73' ' ' VAL . 5.1 mp -130.26 -169.42 2.13 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 121.659 2.027 . . . . 0.0 111.055 -174.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t 150.3 -35.77 0.0 OUTLIER Pre-proline 0 N--CA 1.496 1.852 0 C-N-CA 130.014 3.326 . . . . 0.0 115.325 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -57.62 -176.32 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 124.554 3.502 . . . . 0.0 116.009 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.39 -27.47 1.08 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -54.61 -44.09 72.79 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.675 1.19 . . . . 0.0 113.336 171.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -58.48 -50.83 72.32 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.824 0.849 . . . . 0.0 110.51 171.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 51.1 m -57.23 -42.34 81.25 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.939 0.896 . . . . 0.0 111.737 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.16 -41.43 77.26 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.13 0.972 . . . . 0.0 112.419 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 87.2 t -67.88 -38.38 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 119.447 1.021 . . . . 0.0 111.939 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -56.95 -47.71 80.05 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.631 1.173 . . . . 0.0 111.758 169.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.76 -51.32 70.49 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.321 0.648 . . . . 0.0 111.541 175.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.59 -54.56 45.73 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.085 0.554 . . . . 0.0 112.088 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -63.83 -29.25 70.46 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.353 -0.842 . . . . 0.0 113.016 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.1 -39.38 96.24 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.461 1.029 . . . . 0.0 113.303 170.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -69.09 -38.15 78.82 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 118.526 1.163 . . . . 0.0 111.567 171.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.48 -52.88 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.731 1.212 . . . . 0.0 111.555 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.62 -128.7 3.98 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.382 0.992 . . . . 0.0 114.445 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.36 -21.88 51.55 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -72.9 -8.11 54.09 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 175.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.468 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -49.73 -50.13 45.37 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.097 0.862 . . . . 0.0 113.092 -178.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.41 -36.68 93.48 Favored Glycine 0 N--CA 1.471 0.997 0 CA-C-N 118.221 0.464 . . . . 0.0 113.55 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.15 -49.93 73.9 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.59 1.156 . . . . 0.0 111.386 171.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -63.54 -37.3 86.79 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.407 1.003 . . . . 0.0 112.362 175.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.4 -60.14 9.31 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 124.376 0.989 . . . . 0.0 111.639 170.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.83 -49.11 71.85 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.638 1.175 . . . . 0.0 112.242 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -59.78 -33.47 71.74 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.728 1.211 . . . . 0.0 113.17 174.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.65 -36.29 70.65 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 119.067 0.849 . . . . 0.0 111.874 174.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 mt -62.31 -49.3 76.17 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.721 0.691 . . . . 0.0 110.346 170.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -56.01 -54.2 47.7 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.117 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 69.3 mtt85 -51.58 -51.38 55.96 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 117.892 -1.051 . . . . 0.0 111.272 174.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 56.9 ttp -53.8 -44.65 70.32 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.99 0.814 . . . . 0.0 113.065 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -67.27 -25.47 66.08 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 pp -111.98 -17.91 12.76 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -175.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 81.7 p -82.49 -28.48 31.14 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.15 1.38 . . . . 0.0 112.86 164.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -141.6 70.78 25.75 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 124.868 1.267 . . . . 0.0 110.832 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -46.94 -27.92 6.46 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 124.968 3.778 . . . . 0.0 116.491 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.52 -16.15 1.39 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.787 2.035 . . . . 0.0 114.527 171.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 50.0 p -80.07 -23.28 41.44 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 120.591 -1.318 . . . . 0.0 113.699 173.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -58.91 -32.23 69.36 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 120.087 1.312 . . . . 0.0 113.675 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 15.2 t -62.87 -26.22 68.67 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -74.65 3.88 7.12 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.222 1.009 . . . . 0.0 112.604 174.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -126.48 62.75 49.61 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 127.106 2.162 . . . . 0.0 110.613 176.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -73.6 2.41 5.84 Favored 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 124.377 3.385 . . . . 0.0 115.591 -172.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -139.91 25.67 2.31 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.936 1.295 . . . . 0.0 113.017 -169.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.91 167.27 13.78 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.671 1.189 . . . . 0.0 113.56 -164.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -117.63 110.74 18.27 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.073 1.349 . . . . 0.0 109.65 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -79.99 3.81 18.92 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.895 1.278 . . . . 0.0 112.97 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 28.4 m -49.64 138.33 14.28 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.883 1.673 . . . . 0.0 112.411 175.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.41 127.53 32.52 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.886 -0.509 . . . . 0.0 111.549 -177.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.11 15.38 81.66 Favored Glycine 0 CA--C 1.538 1.493 0 CA-C-O 118.782 -1.01 . . . . 0.0 115.426 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 23.3 t -48.15 121.76 4.59 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.484 1.513 . . . . 0.0 113.539 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.35 -36.68 54.17 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.724 1.209 . . . . 0.0 112.979 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -66.92 -38.08 85.53 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.217 0.607 . . . . 0.0 111.957 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.91 -40.21 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.258 0.623 . . . . 0.0 111.209 176.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -59.82 -51.41 69.87 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.981 0.809 . . . . 0.0 110.595 172.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.93 -47.36 91.39 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 125.004 1.287 . . . . 0.0 113.348 -177.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -64.05 -40.87 97.23 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 118.043 0.921 . . . . 0.0 111.583 172.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.41 -48.56 54.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 121.198 -0.939 . . . . 0.0 113.7 171.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -57.58 -39.63 77.18 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.97 0.908 . . . . 0.0 112.152 172.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -47.95 69.14 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 176.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 66.7 t -56.53 -44.68 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 CA-C-N 120.395 1.452 . . . . 0.0 111.179 173.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 63' ' ' ALA . . . . . 0.468 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -59.83 -51.43 69.75 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 174.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -59.97 -34.65 73.58 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.255 0.622 . . . . 0.0 111.532 178.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 65' ' ' ALA . . . . . 0.437 ' HB2' HMA1 ' C' ' 201' ' ' HEC . . . -65.82 -36.03 82.36 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.795 -1.19 . . . . 0.0 114.058 169.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.24 -39.97 93.42 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.75 1.159 . . . . 0.0 111.286 169.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 55.7 m -60.64 -43.59 97.39 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.583 1.083 . . . . 0.0 112.376 170.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -60.76 -42.96 98.48 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.911 1.685 . . . . 0.0 112.031 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.28 -51.89 67.62 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 121.241 -0.912 . . . . 0.0 111.17 168.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 13.9 t -54.51 -31.76 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.786 1.234 . . . . 0.0 113.395 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.76 -24.86 56.1 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -138.9 19.0 2.65 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.702 1.201 . . . . 0.0 113.858 -168.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.519 ' CG2' HD13 ' C' ' 2' ' ' LEU . 7.1 p -58.66 -25.75 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 120.192 -1.567 . . . . 0.0 114.531 -170.625 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -80.44 -9.15 59.76 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 121.087 -1.008 . . . . 0.0 113.225 175.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -135.16 20.94 3.44 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 128.195 2.598 . . . . 0.0 111.433 -175.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 6.7 ttm -58.89 -32.7 13.6 Favored Pre-proline 0 CA--C 1.55 0.948 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 -162.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -53.6 23.62 0.02 OUTLIER 'Trans proline' 0 CA--C 1.554 1.515 1 C-N-CA 127.235 5.29 . . . . 0.0 119.014 168.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -143.75 -40.71 0.29 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 127.208 2.203 . . . . 0.0 110.821 173.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.89 80.35 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 19.1 mt -92.48 6.19 48.03 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 72.6 m -58.13 -33.27 68.99 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 120.262 1.392 . . . . 0.0 114.68 -174.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.34 -33.32 73.42 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.001 -1.062 . . . . 0.0 112.701 171.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.7 mt -80.81 -39.93 25.85 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.381 1.072 . . . . 0.0 111.386 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 93.3 p -66.81 -33.07 74.81 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 118.491 -0.766 . . . . 0.0 111.941 170.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -53.73 52.83 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.661 1.119 . . . . 0.0 111.239 168.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 31.4 tp -52.16 -65.02 0.63 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.144 0.578 . . . . 0.0 110.461 171.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.17 7.51 0.13 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.268 1.827 . . . . 0.0 115.329 -173.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -130.25 -34.79 1.61 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.247 1.419 . . . . 0.0 112.931 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -79.87 -34.67 39.02 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.696 0.798 . . . . 0.0 112.638 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -154.45 119.66 5.04 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.872 1.269 . . . . 0.0 111.168 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 69.87 93.95 0.08 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.152 1.781 . . . . 0.0 110.113 -173.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 92' ' ' ARG . . . . . 0.492 HH21 HG13 ' B' ' 98' ' ' VAL . 0.0 OUTLIER -62.76 -10.76 14.02 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 117.441 2.386 . . . . 0.0 117.441 -172.375 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 38.1 t 30.56 89.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 128.412 2.685 . . . . 0.0 114.266 -173.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.13 135.31 68.17 Favored Pre-proline 0 CA--C 1.546 0.793 0 CA-C-O 117.912 -1.042 . . . . 0.0 112.087 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -45.34 -30.51 5.53 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.554 2.836 . . . . 0.0 115.833 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 5.2 p -57.07 -40.4 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 120.809 -1.182 . . . . 0.0 112.659 174.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 97' ' ' ASN . . . . . 0.542 ' HB3' HMC1 ' C' ' 201' ' ' HEC . 55.1 m-20 -68.86 -35.36 76.83 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 120.907 -1.121 . . . . 0.0 112.211 -175.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.84 -46.91 64.54 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 118.004 0.365 . . . . 0.0 110.32 168.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -63.78 -39.33 93.99 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.082 0.553 . . . . 0.0 110.504 -174.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 68.5 mt -58.85 -56.22 25.08 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.558 0.743 . . . . 0.0 111.324 172.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 101' ' ' LEU . . . . . 0.588 HD23 HMC3 ' C' ' 201' ' ' HEC . 0.2 OUTLIER -64.06 -37.15 86.39 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.416 -0.803 . . . . 0.0 111.585 -178.321 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 48.0 t -59.21 -48.4 81.75 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.748 1.219 . . . . 0.0 112.142 173.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -56.83 -44.08 81.71 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 121.051 -1.03 . . . . 0.0 111.615 172.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 72.3 m -63.7 -37.67 88.23 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 175.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 34.8 mt -61.16 -46.73 89.32 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.478 1.035 . . . . 0.0 111.695 172.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 74.4 mt -53.32 -47.56 69.17 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.588 1.085 . . . . 0.0 110.811 174.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 4.5 t -56.02 -48.32 78.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 118.814 -0.612 . . . . 0.0 112.435 174.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 1.4 p -67.96 -40.22 83.22 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.754 1.616 . . . . 0.0 113.351 177.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.04 -44.04 87.15 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 119.715 1.143 . . . . 0.0 110.132 175.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.66 -31.13 64.1 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 175.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.47 -8.03 23.55 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -135.27 -43.65 0.7 Allowed 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.583 1.083 . . . . 0.0 113.84 -177.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.69 166.54 41.7 Favored Pre-proline 0 CA--C 1.564 1.509 0 CA-C-O 118.654 -0.688 . . . . 0.0 109.453 172.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -58.77 -136.4 0.0 OUTLIER 'Trans proline' 0 CA--C 1.55 1.317 1 C-N-CA 125.719 4.279 . . . . 0.0 115.796 174.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.28 27.88 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.103 0 O-C-N 119.113 -2.242 . . . . 0.0 114.643 172.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.4 -19.51 2.21 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 129.323 3.049 . . . . 0.0 117.107 -151.177 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 117' ' ' PHE . . . . . 0.537 ' CE2' HG12 ' D' ' 113' ' ' VAL . 20.6 p90 -74.11 37.78 0.1 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.588 1.955 . . . . 0.0 109.621 161.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.12 167.65 30.05 Favored Pre-proline 0 N--CA 1.486 1.363 0 C-N-CA 126.074 1.75 . . . . 0.0 112.16 -170.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.99 -40.01 59.13 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.035 1.823 . . . . 0.0 114.94 174.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.65 -58.45 2.8 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.894 0.478 . . . . 0.0 110.055 174.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.74 -30.21 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 120.944 -1.098 . . . . 0.0 112.627 -168.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.54 -49.84 56.47 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 120.15 1.341 . . . . 0.0 111.935 170.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.12 -39.92 79.93 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.921 0.782 . . . . 0.0 110.237 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 20.1 m -58.95 -60.88 3.15 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 125.551 1.54 . . . . 0.0 111.932 174.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 52.1 mt -64.87 -39.49 93.63 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 117.926 -1.035 . . . . 0.0 112.094 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -55.52 -56.42 20.42 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 120.421 1.464 . . . . 0.0 111.89 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -33.15 71.31 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -69.1 -50.15 50.72 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.572 1.078 . . . . 0.0 111.354 176.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.43 -39.51 87.69 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.082 0.855 . . . . 0.0 110.557 172.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.11 80.6 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.927 1.239 . . . . 0.0 113.201 172.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 12.1 p -68.38 -40.83 81.27 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.875 1.216 . . . . 0.0 112.555 171.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 78.8 t -55.13 -50.45 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 171.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 47.3 t -50.65 -62.07 1.82 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.433 1.093 . . . . 0.0 112.325 171.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 51.6 m -47.37 -34.97 7.6 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.039 1.336 . . . . 0.0 113.465 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 90.6 t -83.74 -45.2 18.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 123.565 0.746 . . . . 0.0 111.825 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.96 -27.97 69.22 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 120.967 -1.083 . . . . 0.0 113.256 175.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 36.7 p -103.34 11.25 36.89 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 127.267 2.227 . . . . 0.0 112.507 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 39.8 t -39.36 113.74 0.35 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.76 1.624 . . . . 0.0 113.074 -175.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -59.69 -39.72 85.49 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.231 1.012 . . . . 0.0 113.009 -163.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 18.7 t80 48.93 -149.52 0.2 Allowed 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 125.103 1.361 . . . . 0.0 112.999 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 . . . . . 0 C--O 1.254 1.332 0 C-N-CA 127.19 2.196 . . . . 0.0 111.428 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.301 4.8 p . . . . . 0 N--CA 1.515 2.79 0 CA-C-O 116.828 -1.558 . . . . 0.0 113.741 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -1.25 88.77 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 128.505 2.722 . . . . 0.0 115.636 -170.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.38 161.87 18.85 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.873 178.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.0 148.81 94.67 Favored Pre-proline 0 N--CA 1.477 0.9 0 CA-C-O 118.397 -0.811 . . . . 0.0 109.065 163.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -52.61 -41.83 66.11 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.462 2.774 . . . . 0.0 115.619 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -70.02 -35.61 74.47 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.366 -0.834 . . . . 0.0 112.346 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.53 -44.43 74.61 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.592 -0.693 . . . . 0.0 111.551 172.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.99 -47.12 68.46 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.113 0.965 . . . . 0.0 111.149 170.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 25.2 t -57.82 -48.34 80.03 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.991 0.814 . . . . 0.0 111.13 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.08 -49.96 74.25 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 11' ' ' VAL . . . . . 0.689 HG23 ' CE1' ' D' ' 130' ' ' TYR . 2.3 p -65.39 -52.05 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.719 1.145 . . . . 0.0 111.761 175.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -71.85 -35.76 69.96 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.074 0.852 . . . . 0.0 111.83 -164.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.61 94.08 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.648 0.658 . . . . 0.0 112.199 172.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 14' ' ' LEU . . . . . 0.406 ' CD2' HD23 ' D' ' 114' ' ' LEU . 3.7 tt -72.87 -34.99 67.08 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.496 -0.753 . . . . 0.0 111.656 177.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -63.58 -29.2 70.49 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 120.563 -1.335 . . . . 0.0 112.965 165.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.44 -41.22 98.11 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.32 0.962 . . . . 0.0 113.332 175.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -83.85 -18.13 38.58 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.435 HG21 HD21 ' D' ' 114' ' ' LEU . 0.3 OUTLIER -56.81 138.02 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.706 0.765 . . . . 0.0 113.004 -172.845 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -83.65 72.25 10.33 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.69 1.196 . . . . 0.0 110.298 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 75.4 t -41.76 -48.97 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -164.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -49.67 75.02 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.952 1.301 . . . . 0.0 114.246 174.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -70.3 -55.18 9.83 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.101 0.561 . . . . 0.0 110.616 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.45 -37.39 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.607 1.163 . . . . 0.0 112.365 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.39 -42.71 27.07 Favored Glycine 0 C--N 1.339 0.729 0 C-N-CA 123.898 0.761 . . . . 0.0 111.386 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.6 -43.66 97.48 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 117.812 0.806 . . . . 0.0 112.629 170.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -43.74 87.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 118.044 0.922 . . . . 0.0 111.753 175.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.46 -50.41 59.28 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 120.636 -1.29 . . . . 0.0 112.967 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -62.19 -46.68 87.84 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 175.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.82 -45.29 80.25 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 124.562 1.077 . . . . 0.0 113.581 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 30' ' ' ARG . . . . . 0.439 ' HD2' ' SD ' ' D' ' 55' ' ' MET . 3.7 mpt_? -65.83 -44.04 86.75 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.376 1.588 . . . . 0.0 111.834 174.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.84 -47.48 64.38 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 120.144 1.338 . . . . 0.0 110.768 170.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.27 2.5 0.14 Allowed 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 m -135.91 -28.08 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.784 1.633 . . . . 0.0 114.113 177.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -24.01 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 CA-C-N 121.547 1.976 . . . . 0.0 111.287 165.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -128.32 68.23 76.74 Favored Pre-proline 0 CA--C 1.53 0.177 0 C-N-CA 124.11 0.964 . . . . 0.0 109.764 -169.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -61.55 -19.04 63.14 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 124.009 3.14 . . . . 0.0 114.766 -163.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -32.15 49.16 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.181 -0.95 . . . . 0.0 113.269 167.051 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 81.1 p -59.27 -10.54 3.06 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 172.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -50.94 -34.68 29.74 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 117.251 -1.357 . . . . 0.0 113.859 173.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -38.32 64.16 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 122.204 2.275 . . . . 0.0 113.465 -173.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -72.87 -6.81 47.54 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.736 1.214 . . . . 0.0 113.431 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -16.57 13.42 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 172.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -50.66 -25.63 4.49 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 166.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -106.45 -28.84 10.07 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.858 1.263 . . . . 0.0 112.997 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -79.28 -17.06 55.42 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.338 0.972 . . . . 0.0 113.613 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.65 -176.46 20.03 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.051 0.834 . . . . 0.0 112.98 -169.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 27.56 -96.7 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.975 2.51 . . . . 0.0 115.271 173.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 tt 54.06 -16.34 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 128.82 2.848 . . . . 0.0 117.692 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 6.1 t -59.09 -14.93 11.45 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.998 2.119 . . . . 0.0 115.254 -170.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 18.5 p -130.0 155.2 81.01 Favored Pre-proline 0 N--CA 1.475 0.793 0 C-N-CA 124.399 1.08 . . . . 0.0 111.664 169.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -41.78 -52.93 3.62 Favored 'Trans proline' 0 CA--C 1.535 0.535 0 C-N-CA 124.791 3.661 . . . . 0.0 116.081 165.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.92 -34.88 77.46 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.939 0.496 . . . . 0.0 112.097 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.51 -55.76 29.5 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.138 0.426 . . . . 0.0 111.007 172.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.55 -31.19 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -173.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 55' ' ' MET . . . . . 0.439 ' SD ' ' HD2' ' D' ' 30' ' ' ARG . 2.5 tpp -76.44 -35.11 58.68 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 175.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.02 -35.29 54.1 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-N 118.337 0.517 . . . . 0.0 113.527 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -51.84 116.49 8.18 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.149 1.38 . . . . 0.0 114.136 -168.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -64.47 -28.08 62.22 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.685 2.257 . . . . 0.0 113.217 -174.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -71.1 -31.46 67.82 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 121.181 -0.949 . . . . 0.0 113.03 174.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 97.9 t -65.32 -41.44 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 O-C-N 121.616 -0.677 . . . . 0.0 110.38 167.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 19.9 mtmm -61.32 -46.45 90.23 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 118.873 0.76 . . . . 0.0 112.561 171.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.26 -47.45 79.53 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.545 1.138 . . . . 0.0 113.274 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -60.21 -39.05 85.22 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.073 -1.017 . . . . 0.0 110.741 169.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -47.92 -52.56 16.24 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 126.011 1.767 . . . . 0.0 114.29 167.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -55.36 -45.37 76.5 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 118.022 0.911 . . . . 0.0 111.4 173.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 45.7 mttt -63.6 -53.16 55.95 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.28 1.032 . . . . 0.0 113.362 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 6.8 p -58.65 -48.26 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 120.066 1.303 . . . . 0.0 111.708 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tt -69.2 -39.5 78.61 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.71 -0.619 . . . . 0.0 111.242 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.02 -34.57 58.24 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.443 1.02 . . . . 0.0 112.909 176.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.01 88.92 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.11 0.955 . . . . 0.0 112.538 168.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 1.7 m-30 -59.05 -40.9 86.57 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.593 -1.317 . . . . 0.0 110.988 175.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m -67.6 -42.12 82.93 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.153 0.981 . . . . 0.0 112.858 175.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -58.81 -36.68 74.89 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.553 0.741 . . . . 0.0 111.513 170.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.28 -58.14 16.1 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 123.844 0.735 . . . . 0.0 111.567 168.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.7 mt -55.18 -30.42 59.85 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 118.601 1.201 . . . . 0.0 113.936 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.34 -23.27 40.69 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.104 1.361 . . . . 0.0 114.668 173.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -143.64 58.44 1.37 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.442 1.897 . . . . 0.0 112.373 -173.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 91.1 mt -68.35 -7.79 34.3 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.133 -0.979 . . . . 0.0 113.268 175.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -64.79 -27.54 68.96 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.606 1.562 . . . . 0.0 115.198 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.15 90.36 0.82 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.247 1.019 . . . . 0.0 112.707 170.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 15.9 mt -59.72 -40.5 88.23 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 121.03 -1.044 . . . . 0.0 112.711 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -57.76 -28.94 64.41 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.232 1.013 . . . . 0.0 112.632 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -92.05 -48.15 3.18 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 125.091 1.329 . . . . 0.0 113.241 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.6 t -64.93 -23.14 67.14 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 118.84 1.32 . . . . 0.0 112.663 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -110.73 15.99 21.63 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.745 1.218 . . . . 0.0 113.836 175.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.41 -44.62 72.51 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 121.072 1.76 . . . . 0.0 112.931 -177.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 17.3 p -63.03 -40.81 98.85 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.71 1.204 . . . . 0.0 112.608 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 21.0 mt -68.46 -39.49 81.42 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.721 -0.612 . . . . 0.0 111.597 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 8.5 t -61.46 -46.35 90.42 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 124.336 1.055 . . . . 0.0 110.869 175.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -58.02 -49.76 75.74 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.619 0.768 . . . . 0.0 112.36 171.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 tp -51.52 -56.43 13.43 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.291 -0.88 . . . . 0.0 111.321 173.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -74.59 20.69 0.12 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.532 1.533 . . . . 0.0 113.803 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 95.8 m -136.11 -74.23 0.44 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.722 1.609 . . . . 0.0 110.858 171.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.72 -29.11 70.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.953 1.701 . . . . 0.0 113.647 -176.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.33 -44.29 8.37 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.706 0.802 . . . . 0.0 111.534 170.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.98 76.1 1.05 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.02 1.328 . . . . 0.0 113.359 -173.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -53.86 33.19 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 129.666 3.186 . . . . 0.0 115.004 163.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 98' ' ' VAL . . . . . 0.499 HG13 HH21 ' A' ' 92' ' ' ARG . 14.1 t -55.57 143.6 8.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 127.558 2.343 . . . . 0.0 112.041 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.62 126.92 1.47 Allowed Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 124.998 1.319 . . . . 0.0 113.45 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.59 -25.7 34.37 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.444 2.096 . . . . 0.0 113.883 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -59.51 -39.63 84.47 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.917 1.689 . . . . 0.0 111.136 177.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -57.5 -25.89 60.48 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 176.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -72.57 -45.24 60.13 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.17 0.988 . . . . 0.0 109.86 174.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.17 -44.46 83.55 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.811 1.244 . . . . 0.0 110.572 172.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.24 -46.92 86.68 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.906 0.882 . . . . 0.0 111.485 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 3.4 tt -53.76 -45.57 70.67 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.389 0.995 . . . . 0.0 110.62 174.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -52.86 -55.3 24.19 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 123.377 0.513 . . . . 0.0 113.035 172.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -58.58 -36.45 73.99 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 177.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 88.2 t -67.32 -52.67 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 O-C-N 121.246 -0.909 . . . . 0.0 110.149 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 34.1 tp -54.99 -52.59 62.62 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 118.736 0.698 . . . . 0.0 111.536 -174.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 35.0 m -56.59 -34.68 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 176.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 7.6 t -69.21 -35.7 76.49 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.878 -0.513 . . . . 0.0 111.576 177.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 113' ' ' VAL . . . . . 0.537 HG12 ' CE2' ' C' ' 117' ' ' PHE . 0.7 OUTLIER -69.25 -36.79 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 121.161 -0.962 . . . . 0.0 111.929 175.827 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 114' ' ' LEU . . . . . 0.435 HD21 HG21 ' D' ' 18' ' ' VAL . 3.7 mp -67.37 -38.47 84.82 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.946 0.793 . . . . 0.0 112.367 171.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.53 -24.5 32.29 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 169.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -53.22 6.89 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 169.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -26.46 65.15 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.008 0.822 . . . . 0.0 113.137 -174.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -133.87 23.52 3.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.991 1.316 . . . . 0.0 112.413 -170.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -46.0 -37.69 7.74 Favored Glycine 0 N--CA 1.479 1.519 0 C-N-CA 125.536 1.541 . . . . 0.0 116.646 -172.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -61.31 -30.6 70.6 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 125.215 1.406 . . . . 0.0 113.482 175.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -103.63 -11.55 17.61 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.695 1.998 . . . . 0.0 112.607 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -81.98 60.44 4.82 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.117 1.367 . . . . 0.0 112.735 -174.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 33.9 p -53.56 159.04 2.61 Favored Pre-proline 0 N--CA 1.478 0.954 0 C-N-CA 125.954 1.702 . . . . 0.0 113.349 -174.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -48.97 -49.99 13.83 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 121.89 1.727 . . . . 0.0 114.45 172.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -65.45 -22.98 58.57 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 CA-C-N 121.393 1.533 . . . . 0.0 115.197 175.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -41.24 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 121.656 2.026 . . . . 0.0 111.864 175.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -58.37 -47.01 85.22 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 118.935 0.789 . . . . 0.0 110.637 174.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.05 72.11 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.44 -50.72 58.07 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.566 0.746 . . . . 0.0 109.999 175.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 130' ' ' TYR . . . . . 0.689 ' CE1' HG23 ' D' ' 11' ' ' VAL . 50.8 m-85 -55.69 -49.47 72.88 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 171.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -60.03 -34.09 72.9 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 118.689 -0.672 . . . . 0.0 112.642 -176.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -68.28 -38.32 81.58 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 171.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.7 -43.84 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 CA-C-N 120.009 1.277 . . . . 0.0 110.549 171.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 45.6 t -84.2 -30.16 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -167.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.98 92.57 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.702 1.137 . . . . 0.0 110.899 163.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.8 -49.05 81.78 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 123.815 0.722 . . . . 0.0 113.257 171.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.06 -47.36 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 124.4 1.08 . . . . 0.0 111.81 175.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.25 89.87 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.253 0.933 . . . . 0.0 111.7 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -62.02 -39.11 91.14 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.761 -0.587 . . . . 0.0 112.145 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.22 83.07 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.516 0.727 . . . . 0.0 112.017 174.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.4 -24.84 66.54 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.885 -1.134 . . . . 0.0 112.797 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.78 -2.45 57.7 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 169.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -57.84 -38.9 76.48 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 119.666 -1.896 . . . . 0.0 113.56 -175.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -69.14 6.12 1.04 Allowed 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 174.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -73.09 9.96 1.07 Allowed 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 120.173 1.351 . . . . 0.0 112.785 171.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.366 0 C-N-CA 127.182 2.193 . . . . 0.0 114.517 174.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.609 HMC3 HD23 ' A' ' 101' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 201' ' ' HEC . . . . . 0.409 HMC2 ' CD1' ' B' ' 103' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 201' ' ' HEC . . . . . 0.588 HMC3 HD23 ' C' ' 101' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.175 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.55 -163.35 1.4 Allowed 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 121.459 1.936 . . . . 0.0 113.844 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 p -97.31 168.49 10.1 Favored Pre-proline 0 N--CA 1.481 1.115 0 C-N-CA 126.161 1.784 . . . . 0.0 112.566 -173.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -66.89 -46.62 3.17 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.733 2.288 . . . . 0.0 112.771 174.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.31 -33.6 74.62 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.157 0.583 . . . . 0.0 112.564 -172.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.77 -41.07 96.16 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-O 118.44 -0.791 . . . . 0.0 112.181 179.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -57.85 -46.84 84.2 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.756 0.707 . . . . 0.0 110.013 175.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.9 m -54.42 -47.36 72.91 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.778 0.717 . . . . 0.0 111.516 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -71.55 -33.74 69.4 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.24 -50.17 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.654 1.181 . . . . 0.0 111.147 172.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.31 -44.58 96.97 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.604 1.162 . . . . 0.0 111.271 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.23 -51.01 71.07 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.452 0.701 . . . . 0.0 111.429 176.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.21 -55.62 32.66 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.159 0.584 . . . . 0.0 111.636 174.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -62.17 -26.55 68.4 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -175.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.44 -40.98 98.19 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.689 1.138 . . . . 0.0 113.631 171.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -70.76 -38.02 73.43 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 118.462 1.131 . . . . 0.0 111.295 171.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.5 t -57.95 -50.81 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.087 0.955 . . . . 0.0 110.767 177.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.11 -128.05 3.43 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.442 1.02 . . . . 0.0 114.39 175.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.49 -23.92 64.89 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -69.78 -10.8 59.76 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.5 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -47.78 -45.7 29.65 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.336 0.971 . . . . 0.0 112.805 178.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.55 -41.92 95.92 Favored Glycine 0 C--N 1.338 0.687 0 CA-C-O 119.449 -0.639 . . . . 0.0 113.684 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -65.4 -39.38 92.13 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.008 0.904 . . . . 0.0 111.094 176.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -64.87 -39.8 94.12 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.364 -0.835 . . . . 0.0 112.58 174.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.63 -50.99 61.48 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 119.29 0.95 . . . . 0.0 112.518 169.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.88 -51.82 59.73 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.315 1.046 . . . . 0.0 112.025 177.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' HB3' HH12 ' A' ' 31' ' ' ARG . 0.4 OUTLIER -66.03 -36.12 82.41 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.812 0.845 . . . . 0.0 112.96 176.657 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.99 -41.07 97.63 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.69 1.132 . . . . 0.0 112.106 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.76 -48.85 67.81 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.327 1.051 . . . . 0.0 111.595 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -62.46 -39.97 95.1 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.243 0.544 . . . . 0.0 110.742 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.417 HH12 ' HB3' ' A' ' 27' ' ' GLU . 34.2 ttm105 -64.07 -44.5 92.2 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.009 0.924 . . . . 0.0 112.053 173.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 46.2 ttp -55.44 -47.14 76.48 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.338 0.972 . . . . 0.0 111.638 171.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -53.0 -53.84 44.04 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.915 0.78 . . . . 0.0 112.291 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.1 mt -67.98 -39.57 83.27 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 120.497 0.189 . . . . 0.0 111.256 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -76.85 -30.75 56.43 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.763 1.225 . . . . 0.0 113.034 -174.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.11 78.19 65.5 Favored Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 126.184 1.794 . . . . 0.0 109.415 177.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -46.78 -31.33 10.55 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 123.992 3.128 . . . . 0.0 114.637 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.9 -38.78 7.85 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.203 1.801 . . . . 0.0 113.737 172.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 t -57.97 -32.44 67.86 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 119.378 0.99 . . . . 0.0 113.333 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -54.7 -30.63 56.37 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.811 1.244 . . . . 0.0 112.19 176.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.41 HG21 ' CB ' ' D' ' 97' ' ' HIS . 1.9 t -59.68 -20.47 56.46 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -60.65 -18.82 55.91 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.376 0.989 . . . . 0.0 111.939 174.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 34.09 55.44 1.68 Allowed Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 126.668 1.987 . . . . 0.0 111.86 -175.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -74.46 1.65 7.18 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 123.088 2.525 . . . . 0.0 114.323 -165.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.269 0.3 OUTLIER 105.07 -1.38 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.36 1 C-N-CA 132.271 4.229 . . . . 0.0 112.838 179.914 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.43 163.66 22.78 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -128.16 134.26 49.05 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.821 2.048 . . . . 0.0 108.431 168.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.6 mt -116.14 37.43 3.69 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.371 1.468 . . . . 0.0 110.343 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.2 p -66.02 16.57 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 129.142 2.977 . . . . 0.0 116.107 -176.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 68.47 128.51 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 128.973 2.909 . . . . 0.0 113.617 -174.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.85 25.75 69.45 Favored Glycine 0 CA--C 1.54 1.648 0 O-C-N 121.338 -0.851 . . . . 0.0 114.681 -175.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -52.49 131.16 33.46 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.674 1.59 . . . . 0.0 114.231 -171.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.94 -22.86 64.82 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.974 1.31 . . . . 0.0 113.577 172.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -85.75 -39.49 17.11 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.374 0.669 . . . . 0.0 111.448 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.94 -38.03 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.149 -0.969 . . . . 0.0 112.042 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -64.04 -38.85 92.59 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 119.598 1.09 . . . . 0.0 113.622 173.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.71 -47.26 41.62 Favored Glycine 0 N--CA 1.473 1.131 0 C-N-CA 123.973 0.797 . . . . 0.0 111.861 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.47 ' HE2' ' C4D' ' A' ' 201' ' ' HEC . 47.0 t-80 -60.98 -41.68 96.9 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 122.049 -0.677 . . . . 0.0 112.318 173.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.72 -50.58 48.83 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 121.387 -0.821 . . . . 0.0 112.653 170.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -56.08 -42.85 77.35 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 118.247 1.024 . . . . 0.0 113.507 171.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.66 -53.04 60.49 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.308 -0.87 . . . . 0.0 112.57 174.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.8 t -54.37 -43.72 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 119.244 0.929 . . . . 0.0 110.782 175.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.5 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -59.41 -50.18 74.93 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.807 1.039 . . . . 0.0 113.807 174.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.49 -38.0 82.89 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.753 1.161 . . . . 0.0 112.379 176.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HB2' HMA1 ' A' ' 201' ' ' HEC . . . -64.49 -35.31 80.52 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.376 -0.827 . . . . 0.0 113.172 170.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.73 -42.81 90.58 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.46 -0.775 . . . . 0.0 111.452 170.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 49.1 m -58.0 -43.68 86.76 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.885 1.22 . . . . 0.0 111.981 171.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -55.64 -49.01 74.02 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.334 1.054 . . . . 0.0 110.664 171.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.402 ' HB1' HG22 ' A' ' 132' ' ' VAL . . . -60.47 -39.02 86.1 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 175.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.23 -45.37 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 119.928 1.24 . . . . 0.0 111.189 173.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.23 -24.5 67.36 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.142 1.377 . . . . 0.0 113.478 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -132.86 35.16 3.57 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.282 1.433 . . . . 0.0 111.359 -171.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.22 -13.39 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -165.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -120.42 8.36 10.77 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.171 1.388 . . . . 0.0 113.87 169.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -129.41 -2.02 4.96 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.97 2.108 . . . . 0.0 112.524 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.465 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 24.4 ptt? -68.94 -13.06 0.24 Allowed Pre-proline 0 CA--C 1.544 0.744 0 N-CA-C 118.165 2.654 . . . . 0.0 118.165 176.159 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.441 ' HA ' HG13 ' A' ' 135' ' ' VAL . 36.8 Cg_exo -42.94 -26.59 0.73 Allowed 'Trans proline' 0 C--N 1.362 1.278 0 C-N-CA 124.087 3.191 . . . . 0.0 117.42 176.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.3 p30 -119.66 -12.56 9.25 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 169.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.465 ' HB3' ' HA ' ' A' ' 76' ' ' MET . . . -72.16 -14.77 61.9 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.525 -1.359 . . . . 0.0 114.188 177.049 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 69.1 mt -107.85 7.57 28.22 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.815 1.246 . . . . 0.0 112.714 173.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.3 m -56.57 -39.43 73.46 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.024 1.283 . . . . 0.0 114.248 -175.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.13 -28.53 66.63 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.83 0.741 . . . . 0.0 112.92 174.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.21 -42.78 14.38 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.345 1.058 . . . . 0.0 110.435 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.6 t -53.97 -46.47 71.65 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.704 0.402 . . . . 0.0 111.332 169.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -53.96 -52.0 62.09 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.482 1.113 . . . . 0.0 112.094 170.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.421 HD21 ' CHA' ' A' ' 201' ' ' HEC . 62.1 tp -58.17 -25.28 61.33 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 177.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -95.65 -29.11 14.48 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.993 0.917 . . . . 0.0 112.877 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.91 -36.41 8.65 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.963 1.305 . . . . 0.0 113.621 -174.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -103.35 -10.04 18.97 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.878 1.671 . . . . 0.0 112.648 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -132.34 155.6 48.1 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 127.458 2.303 . . . . 0.0 108.989 171.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 mt 58.32 -20.35 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 128.194 2.598 . . . . 0.0 117.604 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.5 mmt-85 52.1 44.72 29.36 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 128.874 2.87 . . . . 0.0 111.825 -172.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 71.3 t -57.94 107.01 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.5 1.52 . . . . 0.0 109.784 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.66 139.26 37.88 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-O 119.04 -0.505 . . . . 0.0 110.889 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -44.9 -31.77 5.65 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 124.557 3.505 . . . . 0.0 116.896 -176.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.0 p -50.03 -41.7 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 120.357 1.435 . . . . 0.0 112.56 175.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.426 ' CB ' HMC1 ' A' ' 201' ' ' HEC . 9.6 m120 -63.58 -31.4 72.55 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 121.128 -0.982 . . . . 0.0 112.191 178.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -49.64 77.1 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 119.339 0.972 . . . . 0.0 109.276 171.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -57.29 -43.66 83.36 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.89 0.852 . . . . 0.0 110.133 -177.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.25 -49.64 77.07 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.28 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.48 HD23 HMC3 ' A' ' 201' ' ' HEC . 0.2 OUTLIER -70.92 -38.2 72.94 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.242 -0.911 . . . . 0.0 112.402 178.397 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 95.0 p -67.93 -42.31 81.23 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.926 1.239 . . . . 0.0 112.138 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -61.06 -40.79 95.01 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.522 -0.736 . . . . 0.0 110.438 169.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 92.6 m -67.44 -20.99 65.57 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 173.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 34.3 mt -76.21 -50.62 13.99 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.939 1.245 . . . . 0.0 111.273 167.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.1 mt -48.67 -44.52 37.83 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.781 0.719 . . . . 0.0 111.184 174.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.2 t -49.42 -53.09 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.527 1.531 . . . . 0.0 114.173 167.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.08 -36.75 77.95 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 120.194 1.361 . . . . 0.0 113.012 -179.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.1 mt -61.89 -46.89 87.4 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 118.779 0.718 . . . . 0.0 109.183 173.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.87 -31.26 68.4 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 176.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.75 -9.65 55.32 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -129.26 -31.99 2.04 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -174.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.86 149.99 39.95 Favored Pre-proline 0 CA--C 1.556 1.208 0 CA-C-N 119.066 0.848 . . . . 0.0 110.997 -176.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -45.33 -51.5 7.78 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 125.103 3.868 . . . . 0.0 117.325 -163.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -148.84 39.2 0.85 Allowed 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 125.176 1.39 . . . . 0.0 110.374 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -38.92 -38.26 0.42 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.239 2.216 . . . . 0.0 115.53 -168.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.21 8.62 0.06 Allowed 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 174.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.97 157.27 2.18 Favored Pre-proline 0 N--CA 1.485 1.309 0 CA-C-N 120.576 1.534 . . . . 0.0 112.244 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -49.3 -57.0 2.62 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.05 1.833 . . . . 0.0 114.367 166.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.48 -33.79 76.77 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -176.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.5 t -89.56 -46.61 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 O-C-N 121.197 -0.939 . . . . 0.0 110.811 -174.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -67.19 -41.92 85.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 117.723 -1.132 . . . . 0.0 112.874 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.03 -56.73 18.22 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 119.85 1.204 . . . . 0.0 110.007 173.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.8 m -55.05 -41.68 71.76 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.522 1.129 . . . . 0.0 113.676 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.6 mt -73.75 -41.61 62.24 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 119.087 0.858 . . . . 0.0 113.179 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -62.25 -49.89 73.9 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.866 1.212 . . . . 0.0 110.888 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -31.68 72.93 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 174.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -62.06 -55.65 26.94 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 117.876 -1.059 . . . . 0.0 111.606 169.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 32.4 mt -60.55 -31.5 70.6 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.828 1.195 . . . . 0.0 112.038 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.23 86.87 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 168.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.4 t -69.12 -43.31 74.67 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.045 -1.66 . . . . 0.0 112.337 169.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.402 HG22 ' HB1' ' A' ' 69' ' ' ALA . 59.2 t -51.4 -51.22 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 173.01 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.4 p -63.18 -51.98 64.23 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 116.697 -1.621 . . . . 0.0 112.733 178.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 21.7 m -48.46 -35.65 13.4 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 121.016 1.735 . . . . 0.0 112.194 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.441 HG13 ' HA ' ' A' ' 77' ' ' PRO . 66.8 t -77.37 -47.58 26.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 123.5 0.72 . . . . 0.0 112.179 173.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -8.28 5.47 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.494 1.518 . . . . 0.0 114.293 172.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 34.6 p -126.8 17.16 7.41 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.789 2.436 . . . . 0.0 111.263 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.2 t -42.73 151.09 0.13 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.837 2.055 . . . . 0.0 112.934 169.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -39.72 -54.99 2.0 Allowed 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.608 1.963 . . . . 0.0 115.063 -155.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -159.52 -100.86 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.476 1.11 . . . . 0.0 110.093 159.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 . . . . . 0 C--O 1.256 1.416 0 C-N-CA 127.652 2.381 . . . . 0.0 113.68 179.731 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.332 3.2 p . . . . . 0 N--CA 1.515 2.81 0 CA-C-O 116.794 -1.574 . . . . 0.0 113.126 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 20.03 77.22 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 127.877 2.471 . . . . 0.0 115.434 -174.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.66 157.53 26.97 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.154 0.582 . . . . 0.0 110.506 -179.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.53 150.59 89.83 Favored Pre-proline 0 N--CA 1.482 1.148 0 CA-C-O 118.146 -0.93 . . . . 0.0 109.108 169.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -53.76 -39.36 84.09 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.526 2.151 . . . . 0.0 114.625 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.05 -46.1 79.03 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.418 0.687 . . . . 0.0 111.831 174.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.46 -43.9 79.93 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.527 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -52.62 -53.69 43.44 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.077 1.351 . . . . 0.0 110.756 168.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t -54.3 -45.71 72.61 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.553 0.615 . . . . 0.0 111.18 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.39 -55.54 33.43 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 174.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.433 HG23 ' CZ ' ' B' ' 130' ' ' TYR . 3.3 p -60.35 -56.07 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.565 1.075 . . . . 0.0 111.269 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -66.92 -35.37 79.84 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.76 0.709 . . . . 0.0 112.745 -172.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.18 -37.85 86.61 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 120.008 1.276 . . . . 0.0 112.272 175.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -66.7 -35.59 80.49 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.434 -0.791 . . . . 0.0 110.944 171.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -31.64 72.87 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 168.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.97 -42.64 99.63 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.57 1.081 . . . . 0.0 113.58 177.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -82.73 -20.0 36.84 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.26 139.81 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.25 1.02 . . . . 0.0 113.261 -170.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.72 92.79 9.34 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 171.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 74.4 t -56.22 -31.94 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.68 0.792 . . . . 0.0 113.066 -172.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -72.23 -48.81 40.01 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.023 1.329 . . . . 0.0 113.57 174.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -82.52 -45.35 14.79 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.253 -0.904 . . . . 0.0 111.71 -175.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -30.34 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 119.062 0.846 . . . . 0.0 111.298 172.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.46 -44.44 27.23 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 119.092 0.86 . . . . 0.0 111.732 177.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.98 -45.65 94.87 Favored Glycine 0 C--N 1.337 0.618 0 CA-C-N 117.834 0.817 . . . . 0.0 112.112 170.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -66.43 -33.35 75.51 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.531 -0.982 . . . . 0.0 112.977 173.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.73 -57.27 7.44 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 121.206 1.821 . . . . 0.0 111.471 174.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 tp -68.06 -33.5 74.67 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 118.998 -0.525 . . . . 0.0 111.186 -176.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.557 ' O ' HG13 ' B' ' 33' ' ' VAL . . . -59.01 -55.34 31.43 Favored Glycine 0 CA--C 1.525 0.676 0 CA-C-O 118.428 -1.207 . . . . 0.0 112.011 164.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -37.71 8.51 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 119.455 1.628 . . . . 0.0 110.909 177.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.468 ' HA ' HG21 ' B' ' 109' ' ' VAL . 36.9 tp -47.88 -50.76 25.53 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.583 1.083 . . . . 0.0 111.424 175.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.572 HD21 ' CE2' ' B' ' 45' ' ' PHE . 0.3 OUTLIER -96.51 -22.44 17.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 118.015 -0.993 . . . . 0.0 112.95 -173.702 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.557 HG13 ' O ' ' B' ' 29' ' ' GLY . 3.7 m -56.09 -29.48 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 CA-C-N 119.75 1.159 . . . . 0.0 112.096 -177.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.04 -2.97 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.823 1.649 . . . . 0.0 114.228 177.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 52.01 39.02 0.57 Allowed Pre-proline 0 CA--C 1.56 1.349 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -167.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -79.45 174.19 12.2 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.7 2.267 . . . . 0.0 112.149 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 12.1 p90 -55.36 -35.28 65.08 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.838 1.255 . . . . 0.0 113.773 170.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.43 -22.1 11.62 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.799 1.24 . . . . 0.0 114.148 170.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -56.77 -26.67 58.14 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.818 1.19 . . . . 0.0 113.055 172.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -54.83 -27.73 44.37 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.775 1.625 . . . . 0.0 113.174 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -86.94 7.97 25.17 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -52.15 -25.96 10.26 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 -177.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.39 -23.43 49.19 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.151 1.78 . . . . 0.0 113.614 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.7 p -60.55 -43.13 97.58 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.71 0.804 . . . . 0.0 112.125 170.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.572 ' CE2' HD21 ' B' ' 32' ' ' LEU . 10.0 m-85 -74.64 -5.21 41.77 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.575 1.55 . . . . 0.0 113.967 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.18 22.24 49.28 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.552 1.549 . . . . 0.0 115.381 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -159.07 -125.52 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.532 1.133 . . . . 0.0 110.603 -163.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.7 tt 61.93 -6.41 0.13 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 128.308 2.643 . . . . 0.0 115.402 -174.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 3.1 m -46.26 -28.86 1.4 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.93 2.092 . . . . 0.0 116.102 -173.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 7.4 p -141.38 160.99 55.09 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.843 1.657 . . . . 0.0 111.736 168.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -58.79 -42.05 56.98 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.672 2.915 . . . . 0.0 114.931 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -65.38 -35.36 80.71 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.513 -0.742 . . . . 0.0 111.861 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.29 -49.5 73.77 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 118.699 -0.667 . . . . 0.0 112.105 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -59.41 -34.63 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-N 119.9 1.227 . . . . 0.0 113.481 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 32.3 ttm -82.28 -22.17 35.85 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.06 -19.59 23.46 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.7 1.143 . . . . 0.0 114.872 177.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -56.81 120.84 40.78 Favored Pre-proline 0 CA--C 1.545 0.752 0 C-N-CA 125.58 1.552 . . . . 0.0 113.248 -173.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -57.76 -31.09 91.29 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.64 2.227 . . . . 0.0 113.274 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -67.57 -38.0 83.44 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.578 1.081 . . . . 0.0 112.786 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.54 -37.73 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.377 170.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -64.26 -49.65 71.03 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 120.153 1.342 . . . . 0.0 112.081 173.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.94 -48.96 74.48 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.419 1.087 . . . . 0.0 112.733 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -36.13 82.55 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.873 -1.142 . . . . 0.0 111.006 172.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.23 -49.37 50.71 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 126.67 2.081 . . . . 0.0 113.523 168.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -58.12 -40.16 80.54 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.895 0.878 . . . . 0.0 112.062 172.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -66.24 -55.52 15.76 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.738 0.815 . . . . 0.0 112.473 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.81 -41.53 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 119.091 0.859 . . . . 0.0 112.226 176.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.6 tt -75.99 -40.06 54.57 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -53.09 -38.94 56.93 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.392 0.996 . . . . 0.0 112.32 173.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.22 74.63 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 117.487 0.643 . . . . 0.0 112.372 169.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.433 ' CE2' HD22 ' B' ' 110' ' ' LEU . 10.4 m-85 -55.3 -40.38 71.02 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 120.179 -1.576 . . . . 0.0 113.181 173.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 14.4 m -64.61 -44.52 90.3 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.202 1.001 . . . . 0.0 113.142 173.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -57.7 -32.2 67.13 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.538 0.735 . . . . 0.0 111.934 171.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.28 -62.24 6.24 Favored Glycine 0 C--N 1.34 0.79 0 C-N-CA 124.107 0.86 . . . . 0.0 111.405 168.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 9.3 mt -54.21 -30.38 49.71 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.47 1.135 . . . . 0.0 113.698 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.06 -15.66 58.72 Favored 'General case' 0 CA--C 1.555 1.147 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 173.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -150.3 42.63 0.84 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.033 1.333 . . . . 0.0 113.326 -170.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.76 -14.99 57.42 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 120.165 -1.584 . . . . 0.0 114.71 -177.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -48.4 -42.0 30.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.946 1.299 . . . . 0.0 113.07 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -154.23 115.12 4.02 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.18 1.392 . . . . 0.0 109.826 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 66.6 mt -87.78 -33.11 18.76 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.207 0.603 . . . . 0.0 112.16 174.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -65.17 -15.58 62.58 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 120.423 -1.423 . . . . 0.0 113.251 -175.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.83 -46.91 2.8 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.402 1.477 . . . . 0.0 113.76 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.6 p -72.25 -24.39 61.36 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 118.871 1.336 . . . . 0.0 113.801 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -105.69 6.78 32.23 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.877 0.871 . . . . 0.0 112.882 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.72 80.0 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 120.665 1.575 . . . . 0.0 114.304 -176.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 16.5 p -65.33 -36.73 84.92 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.234 -0.917 . . . . 0.0 111.96 172.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 21.3 mt -74.99 -34.98 62.05 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 118.071 -0.966 . . . . 0.0 112.697 177.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 55.1 p -70.45 -36.11 73.74 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 120.456 1.48 . . . . 0.0 111.366 175.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.1 -53.37 59.17 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.861 0.865 . . . . 0.0 112.145 165.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 48.8 tp -52.99 -51.81 60.41 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.445 -0.784 . . . . 0.0 111.152 175.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -78.58 19.45 0.49 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.283 1.433 . . . . 0.0 114.074 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 52.7 t -136.43 -88.51 0.3 Allowed 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 174.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.66 -21.57 1.08 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.256 2.222 . . . . 0.0 116.341 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.65 -35.92 5.63 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.602 1.161 . . . . 0.0 113.223 169.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 4.2 mt -139.97 52.73 1.68 Allowed 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 125.936 1.694 . . . . 0.0 112.558 -168.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.414 ' HB2' HG21 ' C' ' 41' ' ' THR . 15.3 m80 -58.33 29.38 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.673 0 C-N-CA 127.349 2.26 . . . . 0.0 114.935 172.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 8.6 p -46.25 142.5 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 O-C-N 118.945 -2.347 . . . . 0.0 111.005 173.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 8.7 p-10 -59.03 129.96 86.32 Favored Pre-proline 0 CA--C 1.551 1.016 0 O-C-N 120.816 -1.177 . . . . 0.0 111.991 -172.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 100' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 99' ' ' ASP . 94.5 Cg_exo -51.19 -28.09 24.69 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 124.019 3.146 . . . . 0.0 116.75 -169.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.5 -30.08 39.53 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.058 -1.026 . . . . 0.0 113.102 171.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ASN . . . . . 0.476 ' HB3' HMC1 ' B' ' 201' ' ' HEC . 2.6 m-20 -63.89 -39.96 95.41 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.037 -1.039 . . . . 0.0 111.275 175.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -62.35 -47.37 84.5 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.499 1.045 . . . . 0.0 111.193 173.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -57.02 -43.7 82.11 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.221 1.009 . . . . 0.0 112.164 174.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mp -59.51 -52.02 67.34 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.811 0.844 . . . . 0.0 111.612 172.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.82 -33.68 68.85 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.393 0.997 . . . . 0.0 111.817 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' GLY . . . . . 0.467 ' HA2' HG11 ' B' ' 134' ' ' VAL . . . -66.47 -47.91 66.74 Favored Glycine 0 CA--C 1.524 0.622 0 O-C-N 120.959 -1.088 . . . . 0.0 114.647 173.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.27 -33.83 76.35 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.867 1.318 . . . . 0.0 111.965 173.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.468 HG21 ' HA ' ' B' ' 31' ' ' LEU . 3.0 t -62.49 -47.47 92.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 125.56 1.544 . . . . 0.0 112.395 175.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.433 HD22 ' CE2' ' B' ' 71' ' ' PHE . 21.4 tp -52.66 -56.81 12.79 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 124.103 0.877 . . . . 0.0 110.324 176.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 19.2 m -55.99 -44.37 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 118.326 0.512 . . . . 0.0 111.897 -174.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 50.5 t -60.42 -44.46 95.73 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.03 -1.044 . . . . 0.0 113.452 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.86 -34.67 63.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 120.528 1.513 . . . . 0.0 111.539 175.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 mt -65.07 -39.81 93.77 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 120.103 1.32 . . . . 0.0 110.299 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.28 77.77 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 174.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -61.84 -61.16 2.69 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.473 0.579 . . . . 0.0 110.46 168.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -72.98 -20.53 61.01 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -166.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -129.85 39.58 3.68 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.081 1.752 . . . . 0.0 111.588 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.81 -20.41 8.04 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 125.185 1.374 . . . . 0.0 116.203 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.44 -25.35 64.97 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 168.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -135.13 11.29 3.57 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.862 1.265 . . . . 0.0 114.096 -173.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.07 29.85 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 128.278 2.631 . . . . 0.0 117.194 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 30.1 p -46.15 148.62 1.47 Allowed Pre-proline 0 N--CA 1.483 1.219 0 C-N-CA 125.265 1.426 . . . . 0.0 113.879 -165.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -45.35 -44.97 15.91 Favored 'Trans proline' 0 CA--C 1.544 0.992 0 C-N-CA 122.304 2.003 . . . . 0.0 114.533 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -64.11 -38.47 36.45 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.02 1.814 . . . . 0.0 114.605 172.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -44.37 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 121.369 1.895 . . . . 0.0 111.846 -177.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -66.52 -41.95 88.01 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.92 -0.488 . . . . 0.0 110.773 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.81 97.64 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.724 0.81 . . . . 0.0 113.148 172.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.51 -49.85 75.92 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.23 1.012 . . . . 0.0 110.561 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.433 ' CZ ' HG23 ' B' ' 11' ' ' VAL . 34.1 m-85 -51.07 -49.66 60.19 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.824 -0.547 . . . . 0.0 112.184 167.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -34.44 74.89 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 117.657 -1.163 . . . . 0.0 113.21 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -68.16 -41.92 80.85 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 121.826 2.103 . . . . 0.0 113.643 176.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 2.2 p -63.49 -44.97 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 CA-C-N 120.239 1.382 . . . . 0.0 110.75 171.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.467 HG11 ' HA2' ' B' ' 107' ' ' GLY . 69.8 t -69.1 -31.65 51.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -177.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.38 84.68 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 120.393 1.451 . . . . 0.0 111.055 172.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.67 -43.15 94.51 Favored Glycine 0 C--N 1.342 0.875 0 N-CA-C 112.187 -0.365 . . . . 0.0 112.187 169.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.82 -43.35 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.125 0.97 . . . . 0.0 113.286 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.75 -43.44 96.44 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.836 0.744 . . . . 0.0 110.418 176.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -66.3 -32.11 73.32 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.166 0.586 . . . . 0.0 112.405 173.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.84 -44.35 85.78 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 120.422 -1.424 . . . . 0.0 111.84 171.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 6.9 mt -65.77 -41.77 91.63 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.16 -0.963 . . . . 0.0 112.0 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.76 -13.63 62.52 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 172.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -54.14 -42.61 69.74 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.241 1.382 . . . . 0.0 112.271 -174.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -61.16 -15.05 29.59 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.8 1.64 . . . . 0.0 114.511 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -76.01 -19.91 58.26 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.603 1.161 . . . . 0.0 111.723 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 . . . . . 0 C--O 1.256 1.425 0 C-N-CA 128.065 2.546 . . . . 0.0 114.559 -177.289 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.24 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.52 -163.39 1.4 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 119.521 -1.987 . . . . 0.0 113.975 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.6 p -97.27 168.56 10.0 Favored Pre-proline 0 N--CA 1.48 1.061 0 C-N-CA 126.192 1.797 . . . . 0.0 112.585 -173.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -66.99 -46.71 2.94 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.805 2.337 . . . . 0.0 112.749 174.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.29 -33.44 74.35 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.168 0.587 . . . . 0.0 112.576 -172.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -41.0 95.92 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.192 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -57.74 -46.95 83.77 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.751 0.705 . . . . 0.0 110.03 175.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 88.3 m -54.37 -47.33 72.76 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.671 0.669 . . . . 0.0 111.624 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -71.47 -34.02 69.83 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.552 -0.717 . . . . 0.0 112.767 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.08 -50.11 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.61 1.164 . . . . 0.0 111.239 172.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.35 -44.58 96.93 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.57 1.148 . . . . 0.0 111.284 175.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.35 -50.82 71.75 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.403 0.681 . . . . 0.0 111.492 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.15 -55.75 30.88 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.121 0.569 . . . . 0.0 111.707 173.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -61.98 -26.6 68.31 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -175.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.49 -40.99 98.14 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.696 1.141 . . . . 0.0 113.587 171.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -70.83 -38.04 73.23 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 118.456 1.128 . . . . 0.0 111.287 171.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 74.2 t -57.76 -50.86 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.08 0.952 . . . . 0.0 110.885 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.02 -128.06 3.34 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.46 1.029 . . . . 0.0 114.37 175.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.42 -23.95 64.79 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -69.82 -10.82 59.85 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.035 0.934 . . . . 0.0 113.48 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.496 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -47.79 -45.64 29.64 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.378 0.99 . . . . 0.0 112.889 178.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.61 -41.89 95.8 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-O 119.435 -0.647 . . . . 0.0 113.64 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -65.46 -39.28 91.82 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 117.984 0.892 . . . . 0.0 111.199 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -64.77 -39.98 94.51 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.346 -0.846 . . . . 0.0 112.587 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.47 -50.99 61.51 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 119.345 0.975 . . . . 0.0 112.635 169.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.87 -51.85 59.58 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.354 1.061 . . . . 0.0 111.961 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' GLU . . . . . 0.423 ' HB3' HH12 ' C' ' 31' ' ' ARG . 0.4 OUTLIER -66.02 -36.21 82.64 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 123.88 0.872 . . . . 0.0 112.931 176.649 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.03 97.31 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.718 1.145 . . . . 0.0 112.221 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 11.2 mt -66.91 -48.88 67.31 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.357 1.063 . . . . 0.0 111.595 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -62.3 -40.04 94.99 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.413 0.625 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.423 HH12 ' HB3' ' C' ' 27' ' ' GLU . 34.2 ttm105 -63.96 -44.63 92.2 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.102 0.961 . . . . 0.0 112.055 173.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 46.5 ttp -55.29 -47.2 75.9 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.257 0.935 . . . . 0.0 111.697 171.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -52.99 -53.83 44.22 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.914 0.779 . . . . 0.0 112.306 174.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 17.1 mt -68.04 -39.64 83.02 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.241 0.217 . . . . 0.0 111.237 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -76.87 -30.87 56.44 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.775 1.23 . . . . 0.0 112.975 -174.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -132.93 78.42 65.88 Favored Pre-proline 0 CA--C 1.544 0.728 0 C-N-CA 126.255 1.822 . . . . 0.0 109.337 177.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -46.93 -31.37 11.05 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 124.064 3.176 . . . . 0.0 114.615 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.86 -38.76 7.72 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.268 1.827 . . . . 0.0 113.664 172.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 3.1 t -57.88 -32.75 68.01 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 119.439 1.018 . . . . 0.0 113.185 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -54.56 -30.62 54.65 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.904 1.281 . . . . 0.0 112.264 176.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' THR . . . . . 0.414 HG21 ' HB2' ' B' ' 97' ' ' HIS . 1.9 t -59.78 -20.37 56.3 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -60.72 -18.71 56.09 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.111 0.868 . . . . 0.0 112.021 174.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 33.99 55.47 1.65 Allowed Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 126.585 1.954 . . . . 0.0 111.843 -175.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -74.38 1.46 7.34 Favored 'Trans proline' 0 CA--C 1.545 1.041 0 C-N-CA 123.138 2.559 . . . . 0.0 114.4 -165.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.266 0.3 OUTLIER 105.13 -1.33 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.266 1 C-N-CA 132.283 4.233 . . . . 0.0 112.811 179.837 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.34 163.72 22.44 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -128.22 134.31 48.99 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.88 2.072 . . . . 0.0 108.478 168.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 69.2 mt -116.24 37.48 3.69 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.381 1.472 . . . . 0.0 110.307 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 46.3 p -66.12 16.58 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 129.262 3.025 . . . . 0.0 116.03 -176.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 68.47 128.53 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 128.977 2.911 . . . . 0.0 113.71 -174.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.83 25.78 69.46 Favored Glycine 0 CA--C 1.538 1.491 0 O-C-N 121.412 -0.805 . . . . 0.0 114.713 -175.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -52.61 131.43 34.37 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.639 1.576 . . . . 0.0 114.18 -171.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.16 -22.6 64.87 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.958 1.303 . . . . 0.0 113.564 172.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -86.1 -39.42 16.76 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.376 0.67 . . . . 0.0 111.461 176.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.96 -37.94 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 121.178 -0.951 . . . . 0.0 112.011 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -64.02 -38.8 92.4 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.519 1.054 . . . . 0.0 113.728 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.7 -47.26 41.71 Favored Glycine 0 N--CA 1.474 1.203 0 C-N-CA 123.984 0.802 . . . . 0.0 111.829 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 58' ' ' HIS . . . . . 0.47 ' HE2' ' C4D' ' C' ' 201' ' ' HEC . 47.2 t-80 -61.0 -41.61 96.86 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 122.048 -0.678 . . . . 0.0 112.3 173.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.79 -50.51 49.56 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 123.877 0.751 . . . . 0.0 112.79 170.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -56.21 -42.65 77.56 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.099 0.96 . . . . 0.0 113.575 171.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -53.04 60.44 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 118.952 0.797 . . . . 0.0 112.669 174.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 95.0 t -54.31 -43.74 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 119.179 0.9 . . . . 0.0 110.846 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 63' ' ' ALA . . . . . 0.496 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -59.25 -50.48 73.86 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 174.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.25 -38.1 82.44 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.716 1.144 . . . . 0.0 112.442 176.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 65' ' ' ALA . . . . . 0.407 ' HB2' HMA1 ' C' ' 201' ' ' HEC . . . -64.23 -35.32 80.43 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 170.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.01 -42.66 89.43 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.538 -0.726 . . . . 0.0 111.434 170.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 50.9 m -58.09 -43.73 87.23 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.826 1.194 . . . . 0.0 111.876 171.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -55.66 -48.98 74.12 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.47 1.108 . . . . 0.0 110.591 171.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 69' ' ' ALA . . . . . 0.401 ' HB1' HG22 ' C' ' 132' ' ' VAL . . . -60.52 -39.26 87.18 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 90.0 t -65.84 -45.43 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 119.932 1.242 . . . . 0.0 111.325 173.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.48 67.38 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.064 1.346 . . . . 0.0 113.503 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -133.05 35.25 3.53 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 125.141 1.376 . . . . 0.0 111.341 -171.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.31 -13.29 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 115.918 1.822 . . . . 0.0 115.918 -165.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -120.44 8.47 10.77 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.137 1.375 . . . . 0.0 113.897 169.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -129.54 -2.08 4.89 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.057 2.143 . . . . 0.0 112.519 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 76' ' ' MET . . . . . 0.464 ' HA ' ' HB3' ' C' ' 79' ' ' ALA . 24.3 ptt? -68.98 -12.95 0.23 Allowed Pre-proline 0 CA--C 1.544 0.745 0 N-CA-C 118.207 2.669 . . . . 0.0 118.207 176.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 77' ' ' PRO . . . . . 0.454 ' HA ' HG13 ' C' ' 135' ' ' VAL . 36.5 Cg_exo -42.95 -26.69 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 124.199 3.266 . . . . 0.0 117.473 176.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -119.67 -12.43 9.27 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 169.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 79' ' ' ALA . . . . . 0.464 ' HB3' ' HA ' ' C' ' 76' ' ' MET . . . -72.43 -14.6 61.73 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.434 -1.416 . . . . 0.0 114.079 177.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 69.0 mt -107.86 7.32 28.06 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.882 1.273 . . . . 0.0 112.756 173.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 34.6 m -56.54 -39.13 72.87 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.982 1.265 . . . . 0.0 114.395 -175.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.29 -28.6 66.92 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.817 0.735 . . . . 0.0 112.897 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 9.0 mt -85.08 -42.77 14.5 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.375 1.07 . . . . 0.0 110.448 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 21.7 t -53.94 -46.42 71.56 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.746 0.418 . . . . 0.0 111.309 169.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -54.12 -51.99 62.47 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.458 1.103 . . . . 0.0 111.922 170.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 86' ' ' LEU . . . . . 0.422 HD21 ' CHA' ' C' ' 201' ' ' HEC . 61.9 tp -58.29 -24.65 60.21 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 177.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -96.25 -29.12 14.2 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.111 0.964 . . . . 0.0 112.846 -178.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -102.09 -36.42 8.57 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.07 1.348 . . . . 0.0 113.667 -174.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -103.4 -9.97 18.98 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.812 1.645 . . . . 0.0 112.716 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -132.46 155.49 48.45 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.434 2.294 . . . . 0.0 108.892 171.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 mt 58.41 -20.36 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 128.095 2.558 . . . . 0.0 117.668 173.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 4.4 mmt-85 52.16 44.52 29.59 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 128.747 2.819 . . . . 0.0 111.856 -173.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 70.8 t -57.78 106.96 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.511 1.524 . . . . 0.0 109.743 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.51 139.29 38.32 Favored Pre-proline 0 CA--C 1.546 0.804 0 CA-C-O 119.06 -0.495 . . . . 0.0 110.832 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.96 -31.77 5.75 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.602 3.535 . . . . 0.0 116.939 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.97 -41.86 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 120.23 1.377 . . . . 0.0 112.547 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 97' ' ' ASN . . . . . 0.43 ' CB ' HMC1 ' C' ' 201' ' ' HEC . 9.6 m120 -63.36 -31.7 72.92 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 121.134 -0.979 . . . . 0.0 112.187 178.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 98' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -58.73 -49.54 77.24 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 118.251 -0.88 . . . . 0.0 109.387 171.436 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -57.29 -43.72 83.42 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.937 0.875 . . . . 0.0 110.277 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 89.7 mt -59.21 -49.78 76.53 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.253 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 101' ' ' LEU . . . . . 0.473 HD23 HMC3 ' C' ' 201' ' ' HEC . 0.2 OUTLIER -70.92 -38.02 72.94 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.263 -0.898 . . . . 0.0 112.523 178.367 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 94.7 p -68.11 -42.21 80.59 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.964 1.257 . . . . 0.0 112.13 -175.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -61.18 -40.75 95.1 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.631 -0.668 . . . . 0.0 110.388 169.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 93.8 m -67.51 -20.85 65.49 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 173.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 35.0 mt -76.27 -50.56 14.07 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.073 1.306 . . . . 0.0 111.372 167.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 10.2 mt -48.64 -44.59 37.54 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.825 0.739 . . . . 0.0 111.143 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 4.3 t -49.53 -52.98 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.4 1.48 . . . . 0.0 114.19 167.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.01 -36.79 78.18 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.366 1.439 . . . . 0.0 112.947 -179.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.1 mt -62.04 -46.65 88.23 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.82 0.736 . . . . 0.0 109.237 173.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.99 -31.32 68.68 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 176.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.53 -9.76 55.26 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.321 1.601 . . . . 0.0 115.321 176.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -129.2 -32.11 2.04 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -174.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.72 149.92 40.0 Favored Pre-proline 0 CA--C 1.555 1.156 0 CA-C-N 119.064 0.847 . . . . 0.0 111.002 -176.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -45.35 -51.41 7.89 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 125.153 3.902 . . . . 0.0 117.214 -163.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.07 39.38 0.84 Allowed 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 125.144 1.377 . . . . 0.0 110.265 177.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -39.02 -38.24 0.43 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 127.244 2.218 . . . . 0.0 115.542 -168.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.09 8.53 0.06 Allowed 'General case' 0 CA--C 1.558 1.261 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 174.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.85 157.28 2.08 Favored Pre-proline 0 N--CA 1.486 1.359 0 CA-C-N 120.48 1.491 . . . . 0.0 112.125 -179.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -49.35 -56.96 2.65 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.172 1.915 . . . . 0.0 114.284 166.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.57 -33.75 76.64 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -176.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 62.3 t -89.72 -46.43 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.238 -0.914 . . . . 0.0 110.83 -174.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -67.3 -41.88 84.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 117.666 -1.159 . . . . 0.0 112.803 178.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.05 -56.78 17.59 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.873 1.215 . . . . 0.0 109.925 173.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 42.4 m -55.05 -41.6 71.64 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 124.453 1.101 . . . . 0.0 113.815 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 39.4 mt -73.8 -41.42 62.39 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 176.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -62.5 -49.77 74.05 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.878 1.217 . . . . 0.0 110.776 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -31.66 72.9 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 174.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -62.09 -55.7 26.31 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 117.964 -1.017 . . . . 0.0 111.645 169.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 32.7 mt -60.34 -31.61 70.47 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.884 1.22 . . . . 0.0 112.133 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.65 -37.48 87.73 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 168.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 31.0 t -68.89 -43.3 75.55 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.089 -1.632 . . . . 0.0 112.399 169.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 132' ' ' VAL . . . . . 0.401 HG22 ' HB1' ' C' ' 69' ' ' ALA . 60.3 t -51.48 -51.15 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 173.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 26.3 p -63.05 -52.02 64.44 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 116.822 -1.561 . . . . 0.0 112.77 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 22.2 m -48.41 -35.74 13.32 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 121.031 1.741 . . . . 0.0 112.189 177.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 135' ' ' VAL . . . . . 0.454 HG13 ' HA ' ' C' ' 77' ' ' PRO . 66.7 t -77.31 -47.67 26.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 123.632 0.773 . . . . 0.0 112.125 173.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -8.45 5.54 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.535 1.534 . . . . 0.0 114.287 172.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 34.9 p -126.74 17.03 7.46 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 127.881 2.473 . . . . 0.0 111.122 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 36.7 t -42.56 151.13 0.12 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.881 2.072 . . . . 0.0 113.029 169.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -39.85 -54.88 2.08 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.556 1.942 . . . . 0.0 115.18 -155.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -159.57 -100.97 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.415 1.086 . . . . 0.0 109.976 159.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 . . . . . 0 C--O 1.256 1.428 0 C-N-CA 127.736 2.414 . . . . 0.0 113.65 179.681 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.326 3.1 p . . . . . 0 N--CA 1.514 2.768 0 CA-C-O 116.667 -1.635 . . . . 0.0 113.112 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 19.85 77.39 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 127.889 2.475 . . . . 0.0 115.348 -174.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.77 157.38 27.71 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.161 0.584 . . . . 0.0 110.543 -179.171 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.53 150.6 89.8 Favored Pre-proline 0 N--CA 1.481 1.113 0 CA-C-O 118.092 -0.956 . . . . 0.0 109.181 169.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -53.69 -39.41 83.47 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.45 2.1 . . . . 0.0 114.664 175.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.97 -46.15 79.12 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.41 0.684 . . . . 0.0 111.77 174.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.42 -43.83 80.26 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 118.423 -0.798 . . . . 0.0 111.597 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -52.73 -53.51 46.82 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.058 1.343 . . . . 0.0 110.817 168.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 28.8 t -54.59 -45.55 73.62 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 118.6 0.636 . . . . 0.0 111.12 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.35 -55.58 32.94 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 174.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 11' ' ' VAL . . . . . 0.433 HG23 ' CZ ' ' D' ' 130' ' ' TYR . 3.4 p -60.38 -56.02 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 119.55 1.068 . . . . 0.0 111.135 -179.243 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -67.18 -35.19 79.12 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.458 -0.776 . . . . 0.0 112.654 -172.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.98 86.84 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 120.07 1.304 . . . . 0.0 112.277 175.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -66.53 -35.55 80.52 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.451 -0.781 . . . . 0.0 111.127 171.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -31.41 72.58 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 168.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.25 -42.67 99.25 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.55 1.071 . . . . 0.0 113.645 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -82.66 -19.86 37.37 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 176.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.21 139.73 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.386 1.074 . . . . 0.0 113.246 -170.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.73 92.68 9.3 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 107.589 -1.264 . . . . 0.0 107.589 171.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 75.6 t -56.3 -31.82 33.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 123.83 0.852 . . . . 0.0 112.93 -172.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -72.38 -48.57 40.54 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.95 1.3 . . . . 0.0 113.698 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -82.86 -45.2 14.54 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.305 -0.872 . . . . 0.0 111.638 -175.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.85 -30.34 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 119.2 0.909 . . . . 0.0 111.27 172.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.21 -44.58 28.33 Favored Glycine 0 C--N 1.342 0.866 0 CA-C-N 119.275 0.943 . . . . 0.0 111.715 177.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.12 -45.65 94.97 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 117.827 0.813 . . . . 0.0 112.097 170.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -66.52 -33.27 75.31 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 118.024 -0.989 . . . . 0.0 112.996 173.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.61 -57.29 7.52 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 121.332 1.878 . . . . 0.0 111.616 174.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 tp -68.12 -33.36 74.35 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 118.972 -0.537 . . . . 0.0 111.238 -176.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.564 ' O ' HG13 ' D' ' 33' ' ' VAL . . . -59.09 -55.19 32.22 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.001 164.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -37.57 8.98 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 119.464 1.632 . . . . 0.0 110.824 177.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 31' ' ' LEU . . . . . 0.46 ' HA ' HG21 ' D' ' 109' ' ' VAL . 36.6 tp -47.89 -50.64 25.99 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.686 1.13 . . . . 0.0 111.497 175.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 32' ' ' LEU . . . . . 0.562 HD21 ' CE2' ' D' ' 45' ' ' PHE . 0.3 OUTLIER -96.75 -22.5 16.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 118.053 -0.975 . . . . 0.0 112.944 -173.643 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 33' ' ' VAL . . . . . 0.564 HG13 ' O ' ' D' ' 29' ' ' GLY . 3.6 m -56.02 -29.42 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 119.718 1.145 . . . . 0.0 112.101 -178.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -2.86 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.658 1.583 . . . . 0.0 114.325 177.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 51.93 39.09 0.58 Allowed Pre-proline 0 CA--C 1.561 1.383 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -167.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -79.42 174.06 12.39 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.845 2.364 . . . . 0.0 112.265 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 12.2 p90 -55.33 -35.17 64.88 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.878 1.271 . . . . 0.0 113.85 170.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.39 -22.11 11.47 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.769 1.228 . . . . 0.0 114.215 169.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -56.98 -26.38 59.89 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.751 1.159 . . . . 0.0 113.101 173.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -54.92 -27.84 46.3 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 120.872 1.669 . . . . 0.0 113.174 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -86.89 8.08 24.53 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -52.32 -25.89 10.77 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.57 -23.25 49.58 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.014 1.725 . . . . 0.0 113.684 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 75.9 p -60.6 -43.04 97.86 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.666 0.787 . . . . 0.0 112.158 170.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 45' ' ' PHE . . . . . 0.562 ' CE2' HD21 ' D' ' 32' ' ' LEU . 10.2 m-85 -74.81 -5.06 41.38 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.424 1.49 . . . . 0.0 113.866 -178.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.18 22.17 49.08 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 125.609 1.576 . . . . 0.0 115.358 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -158.88 -125.4 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.591 1.156 . . . . 0.0 110.678 -163.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 7.7 tt 61.69 -6.36 0.13 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 128.169 2.588 . . . . 0.0 115.586 -174.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 3.1 m -46.31 -28.82 1.42 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.8 2.04 . . . . 0.0 116.118 -173.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 7.2 p -141.38 161.0 55.07 Favored Pre-proline 0 N--CA 1.477 0.881 0 C-N-CA 125.69 1.596 . . . . 0.0 111.65 168.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -58.77 -42.09 56.71 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.6 2.867 . . . . 0.0 114.923 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.19 -35.39 80.94 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.523 -0.736 . . . . 0.0 112.052 175.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.32 -49.47 73.81 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 118.784 -0.627 . . . . 0.0 112.066 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -59.57 -34.51 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 119.914 1.234 . . . . 0.0 113.454 -177.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 32.2 ttm -82.25 -22.14 35.94 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.26 -19.43 23.49 Favored Glycine 0 CA--C 1.54 1.609 0 C-N-CA 124.55 1.071 . . . . 0.0 114.754 177.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -56.9 120.79 40.8 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 125.579 1.552 . . . . 0.0 113.304 -173.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -57.49 -31.37 91.24 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.827 2.352 . . . . 0.0 113.226 177.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 25.8 tttp -67.57 -37.99 83.45 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.615 1.098 . . . . 0.0 112.794 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 79.5 t -68.49 -37.81 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 CA-C-O 118.356 -0.831 . . . . 0.0 111.348 170.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -64.31 -49.64 70.95 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 120.156 1.344 . . . . 0.0 112.078 173.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.96 -48.9 74.65 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.356 1.062 . . . . 0.0 112.803 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.97 -36.11 82.42 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.772 -1.205 . . . . 0.0 111.027 172.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.2 -49.48 50.1 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 126.896 2.189 . . . . 0.0 113.581 168.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -58.14 -40.19 80.66 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.83 0.852 . . . . 0.0 112.014 172.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -66.12 -55.57 15.8 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.742 0.817 . . . . 0.0 112.475 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.85 -41.6 76.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.17 0.896 . . . . 0.0 112.199 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 5.6 tt -75.75 -40.32 55.61 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.534 -0.728 . . . . 0.0 112.928 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.82 -38.96 54.93 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.415 1.007 . . . . 0.0 112.477 173.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.98 -50.13 74.94 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 117.502 0.651 . . . . 0.0 112.317 169.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 71' ' ' PHE . . . . . 0.429 ' CE2' HD22 ' D' ' 110' ' ' LEU . 10.4 m-85 -55.34 -40.39 71.15 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 120.224 -1.548 . . . . 0.0 113.159 173.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 14.3 m -64.71 -44.32 90.6 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.21 1.004 . . . . 0.0 113.133 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -58.06 -32.03 67.63 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.535 0.734 . . . . 0.0 111.803 171.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.04 -62.51 5.99 Favored Glycine 0 C--N 1.339 0.71 0 C-N-CA 124.235 0.921 . . . . 0.0 111.385 168.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 mt -54.21 -30.31 49.42 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.401 1.1 . . . . 0.0 113.805 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.96 -15.8 58.68 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 173.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -150.24 42.69 0.85 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.944 1.297 . . . . 0.0 113.273 -170.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 93.0 mt -63.72 -15.06 57.53 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.245 -1.534 . . . . 0.0 114.756 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -48.43 -42.08 31.17 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.942 1.297 . . . . 0.0 113.052 173.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -154.17 114.88 3.99 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.131 1.372 . . . . 0.0 109.823 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 66.4 mt -87.48 -33.17 19.11 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.273 0.629 . . . . 0.0 112.213 174.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -65.18 -15.62 62.63 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 120.348 -1.47 . . . . 0.0 113.174 -175.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.81 -46.97 2.79 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.522 1.534 . . . . 0.0 113.737 176.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.5 p -72.17 -24.79 61.49 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 118.868 1.334 . . . . 0.0 113.657 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -105.28 6.52 32.89 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.89 0.876 . . . . 0.0 112.989 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.68 -40.59 79.76 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 120.749 1.613 . . . . 0.0 114.235 -176.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 15.8 p -65.4 -36.66 84.64 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.957 -1.089 . . . . 0.0 111.917 172.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 21.5 mt -75.05 -34.98 61.89 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 118.082 -0.961 . . . . 0.0 112.671 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 55.6 p -70.45 -36.05 73.71 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 120.454 1.479 . . . . 0.0 111.409 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.04 -53.37 59.16 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.82 0.848 . . . . 0.0 112.237 165.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 49.0 tp -53.02 -51.83 60.42 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.333 -0.854 . . . . 0.0 111.118 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -78.65 19.46 0.49 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.278 1.431 . . . . 0.0 113.935 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 52.8 t -136.43 -88.62 0.3 Allowed 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -49.53 -21.69 1.04 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.24 2.216 . . . . 0.0 116.297 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.58 -35.81 5.67 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.545 1.138 . . . . 0.0 113.214 169.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mt -140.09 52.57 1.67 Allowed 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 125.9 1.68 . . . . 0.0 112.549 -168.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 97' ' ' HIS . . . . . 0.41 ' CB ' HG21 ' A' ' 41' ' ' THR . 15.2 m80 -58.26 29.43 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.71 0 C-N-CA 127.324 2.25 . . . . 0.0 114.895 172.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 8.6 p -46.36 142.46 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 O-C-N 118.899 -2.376 . . . . 0.0 110.908 174.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -58.91 130.02 85.94 Favored Pre-proline 0 CA--C 1.55 0.954 0 O-C-N 120.776 -1.203 . . . . 0.0 112.067 -172.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -51.3 -27.97 25.19 Favored 'Trans proline' 0 C--N 1.356 0.95 0 C-N-CA 124.121 3.214 . . . . 0.0 116.788 -169.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.74 -29.92 41.83 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.995 -1.066 . . . . 0.0 113.054 171.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 102' ' ' ASN . . . . . 0.47 ' HB3' HMC1 ' D' ' 201' ' ' HEC . 2.6 m-20 -63.94 -40.03 95.5 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.109 -0.994 . . . . 0.0 111.308 175.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -62.26 -47.51 84.04 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.505 1.048 . . . . 0.0 111.169 173.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -57.03 -43.55 82.02 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.065 0.946 . . . . 0.0 112.249 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mp -59.59 -51.86 68.02 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.668 0.787 . . . . 0.0 111.695 172.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.9 -33.67 69.0 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.358 0.981 . . . . 0.0 111.804 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 107' ' ' GLY . . . . . 0.474 ' HA2' HG11 ' D' ' 134' ' ' VAL . . . -66.31 -48.21 65.69 Favored Glycine 0 CA--C 1.526 0.735 0 O-C-N 121.067 -1.021 . . . . 0.0 114.609 173.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.05 -33.94 76.51 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 122.759 1.266 . . . . 0.0 111.967 173.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 109' ' ' VAL . . . . . 0.46 HG21 ' HA ' ' D' ' 31' ' ' LEU . 3.0 t -62.33 -47.49 92.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 125.542 1.537 . . . . 0.0 112.447 175.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 110' ' ' LEU . . . . . 0.429 HD22 ' CE2' ' D' ' 71' ' ' PHE . 21.3 tp -52.59 -56.89 12.19 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 124.063 0.945 . . . . 0.0 110.305 176.262 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 18.4 m -55.95 -44.52 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-N 118.412 0.551 . . . . 0.0 111.89 -174.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 50.4 t -60.42 -44.51 95.69 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 121.029 -1.044 . . . . 0.0 113.444 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.91 -34.49 63.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 120.515 1.507 . . . . 0.0 111.666 175.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mt -65.08 -39.75 93.66 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.208 1.367 . . . . 0.0 110.257 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.06 77.21 Favored 'General case' 0 CA--C 1.526 0.055 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 174.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -61.98 -61.16 2.68 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.531 0.605 . . . . 0.0 110.44 168.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -72.76 -20.78 61.12 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -166.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -129.86 39.58 3.68 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.063 1.745 . . . . 0.0 111.489 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.67 -20.47 7.83 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.181 1.372 . . . . 0.0 116.228 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -25.64 65.28 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 168.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -134.99 11.36 3.61 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.801 1.241 . . . . 0.0 114.064 -173.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.93 29.68 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 128.324 2.65 . . . . 0.0 117.241 177.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 30.1 p -46.18 148.58 1.49 Allowed Pre-proline 0 N--CA 1.484 1.238 0 C-N-CA 125.303 1.441 . . . . 0.0 113.849 -165.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -45.33 -44.97 15.83 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 122.286 1.99 . . . . 0.0 114.522 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.17 -38.28 36.95 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.944 1.763 . . . . 0.0 114.554 172.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.39 -44.52 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 CA-C-N 121.388 1.904 . . . . 0.0 111.695 -177.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -66.52 -41.92 88.06 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.861 -0.524 . . . . 0.0 110.936 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.97 97.68 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.732 0.813 . . . . 0.0 113.183 172.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.71 76.45 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.194 0.997 . . . . 0.0 110.552 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 130' ' ' TYR . . . . . 0.433 ' CZ ' HG23 ' D' ' 11' ' ' VAL . 33.5 m-85 -51.3 -49.58 61.02 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.405 0.548 . . . . 0.0 112.089 167.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -34.43 74.83 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 117.587 -1.197 . . . . 0.0 113.205 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -68.24 -41.77 80.69 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 121.766 2.076 . . . . 0.0 113.59 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 2.2 p -63.62 -44.95 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 120.29 1.405 . . . . 0.0 110.721 171.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 134' ' ' VAL . . . . . 0.474 HG11 ' HA2' ' D' ' 107' ' ' GLY . 68.9 t -69.08 -31.69 51.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -177.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.97 -46.49 84.37 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 120.231 -1.543 . . . . 0.0 111.029 172.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.5 -43.11 94.18 Favored Glycine 0 N--CA 1.471 0.971 0 O-C-N 122.125 -0.359 . . . . 0.0 112.258 169.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.02 -43.27 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.248 1.019 . . . . 0.0 113.203 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.32 96.6 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.497 -0.752 . . . . 0.0 110.38 176.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -66.65 -32.04 73.1 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.143 0.577 . . . . 0.0 112.28 173.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.32 86.29 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.472 -1.393 . . . . 0.0 111.879 171.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 6.9 mt -65.77 -41.8 91.61 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.101 -1.0 . . . . 0.0 111.934 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.84 -13.62 62.53 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 173.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -54.07 -42.61 69.47 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 120.148 1.34 . . . . 0.0 112.286 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -61.21 -15.16 31.4 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.776 1.63 . . . . 0.0 114.429 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -75.71 -20.16 58.57 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.717 1.207 . . . . 0.0 111.779 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--O 1.255 1.371 0 C-N-CA 127.976 2.51 . . . . 0.0 114.584 -177.131 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.48 HMC3 HD23 ' A' ' 101' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 201' ' ' HEC . . . . . 0.476 HMC1 ' HB3' ' B' ' 102' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 201' ' ' HEC . . . . . 0.473 HMC3 HD23 ' C' ' 101' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 201' ' ' HEC . . . . . 0.47 HMC1 ' HB3' ' D' ' 102' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.319 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.632 HD13 HG22 ' A' ' 73' ' ' VAL . 0.6 OUTLIER -152.18 171.05 18.53 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 122.46 2.391 . . . . 0.0 109.842 -177.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 168.97 -27.41 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.622 0 N-CA-C 116.899 2.185 . . . . 0.0 116.899 -178.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -58.8 -161.04 0.02 OUTLIER 'Trans proline' 0 CA--C 1.548 1.186 0 C-N-CA 124.541 3.494 . . . . 0.0 115.075 172.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -45.9 -29.92 1.56 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.907 1.283 . . . . 0.0 114.167 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -47.58 -63.43 1.06 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 168.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -50.86 -45.11 59.77 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.009 1.323 . . . . 0.0 111.133 175.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.6 m -61.01 -49.58 76.85 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.622 0.769 . . . . 0.0 112.187 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.08 -38.25 90.14 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.137 0.975 . . . . 0.0 112.012 178.175 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.08 -47.99 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.721 1.208 . . . . 0.0 111.361 172.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -61.25 -44.57 97.03 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 119.304 0.956 . . . . 0.0 111.88 173.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.13 -50.12 74.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.328 0.651 . . . . 0.0 111.054 178.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.09 -57.33 13.32 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.748 0.819 . . . . 0.0 111.262 173.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -63.49 -23.99 67.63 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -175.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.75 -40.39 98.44 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.919 1.247 . . . . 0.0 113.363 170.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -70.41 -35.67 73.57 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 118.3 1.05 . . . . 0.0 111.419 170.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.93 -29.06 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.798 1.239 . . . . 0.0 113.256 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.46 123.23 1.05 Allowed Glycine 0 CA--C 1.541 1.668 0 C-N-CA 125.239 1.4 . . . . 0.0 113.929 176.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 81.29 -42.02 0.16 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 129.323 3.049 . . . . 0.0 114.26 -173.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -77.05 -11.79 59.85 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 174.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.509 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -42.57 -52.9 4.62 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.599 1.96 . . . . 0.0 113.749 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.0 -33.2 86.59 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 119.686 -0.508 . . . . 0.0 114.084 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.87 -45.44 89.42 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.348 1.059 . . . . 0.0 109.923 173.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.461 ' HA ' HG21 ' A' ' 108' ' ' THR . 14.6 m-30 -65.98 -37.42 85.91 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.75 -49.88 73.7 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 123.236 0.446 . . . . 0.0 112.268 168.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.15 -49.17 76.76 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.286 1.043 . . . . 0.0 112.511 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.48 -38.16 90.06 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 121.669 -0.644 . . . . 0.0 112.509 174.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.34 98.98 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.631 1.105 . . . . 0.0 112.195 177.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.2 mt -62.79 -49.69 73.99 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.272 1.029 . . . . 0.0 111.535 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -57.06 -46.72 82.23 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.669 0.668 . . . . 0.0 111.981 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.3 ttm-85 -61.36 -46.09 91.65 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.906 0.882 . . . . 0.0 111.494 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 47.3 ttp -58.46 -50.92 71.98 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.144 173.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -52.42 -57.16 10.71 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.469 0.708 . . . . 0.0 111.898 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' B' ' 125' ' ' PRO . 0.6 OUTLIER -69.53 -36.17 76.16 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.258 0.481 . . . . 0.0 111.398 -174.55 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.9 t -74.87 -30.71 61.41 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -175.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.517 ' CE2' HD22 ' A' ' 100' ' ' LEU . 98.4 m-85 -136.77 71.16 57.76 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 126.055 1.742 . . . . 0.0 109.302 -175.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -61.09 -13.18 26.39 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 123.076 2.517 . . . . 0.0 113.729 -173.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.21 -36.54 1.79 Allowed 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 163.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -36.26 73.72 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-N 121.51 1.959 . . . . 0.0 113.873 173.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -17.73 30.49 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 120.82 1.645 . . . . 0.0 114.327 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.29 -20.83 59.99 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 176.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -69.57 14.87 0.09 Allowed 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.17 0.895 . . . . 0.0 113.204 177.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.6 t80 63.58 59.66 1.89 Allowed Pre-proline 0 CA--C 1.544 0.719 0 C-N-CA 127.0 2.12 . . . . 0.0 112.075 172.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -62.24 123.67 12.91 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.678 2.919 . . . . 0.0 110.641 -175.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -66.99 3.92 0.98 Allowed 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 175.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -141.01 150.23 42.77 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.74 2.016 . . . . 0.0 111.312 -167.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.04 95.1 2.97 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 166.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.494 HD13 ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -59.67 1.81 0.09 Allowed 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 172.14 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 m -59.13 155.02 14.72 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.457 2.303 . . . . 0.0 113.739 -178.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -50.47 141.11 12.7 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 169.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.34 1.71 29.74 Favored Glycine 0 CA--C 1.54 1.622 0 N-CA-C 116.26 1.264 . . . . 0.0 116.26 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.7 t -60.45 136.23 57.98 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.995 1.397 . . . . 0.0 113.555 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.15 -20.71 66.18 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.172 0.989 . . . . 0.0 113.661 171.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -81.78 -41.37 21.25 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.615 0.766 . . . . 0.0 111.249 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 91.1 t -62.77 -40.56 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 123.893 0.877 . . . . 0.0 112.019 -177.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -59.49 -42.64 92.59 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.219 0.918 . . . . 0.0 113.171 174.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.33 -44.67 73.55 Favored Glycine 0 N--CA 1.472 1.09 0 C-N-CA 123.952 0.786 . . . . 0.0 112.476 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -61.25 -47.73 84.71 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 122.248 -0.56 . . . . 0.0 111.002 170.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.6 -49.6 56.89 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.476 1.036 . . . . 0.0 113.782 176.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -53.43 -46.24 69.72 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.607 1.163 . . . . 0.0 112.102 171.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -44.81 80.07 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.81 -43.71 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 119.96 1.255 . . . . 0.0 110.359 172.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.509 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -64.87 -46.11 83.19 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 118.76 -0.638 . . . . 0.0 112.569 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.47 -37.82 79.18 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.721 1.146 . . . . 0.0 112.161 173.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.502 ' HA ' HD21 ' A' ' 68' ' ' ASN . . . -61.03 -40.95 95.54 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 121.722 -0.611 . . . . 0.0 112.117 170.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -41.21 98.4 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 118.567 -0.73 . . . . 0.0 111.711 171.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.3 m -58.41 -42.91 88.24 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 120.202 1.364 . . . . 0.0 111.283 171.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.502 HD21 ' HA ' ' A' ' 65' ' ' ALA . 0.1 OUTLIER -66.66 -31.37 72.01 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.827 1.194 . . . . 0.0 111.957 175.011 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.42 -41.28 76.56 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-O 118.7 -0.667 . . . . 0.0 111.449 172.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.9 t -65.74 -48.79 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-N 120.096 1.316 . . . . 0.0 111.073 174.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.28 -30.84 65.04 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.388 1.475 . . . . 0.0 113.049 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -129.01 34.95 4.37 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 124.56 1.144 . . . . 0.0 111.315 -176.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.632 HG22 HD13 ' A' ' 2' ' ' LEU 0.257 8.6 p -57.52 -25.39 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 119.781 -1.824 . . . . 0.0 113.893 -172.006 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -94.68 -11.52 29.05 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 170.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -124.65 5.78 8.2 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.183 2.193 . . . . 0.0 112.93 -167.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -78.91 -3.72 0.07 OUTLIER Pre-proline 0 CA--C 1.548 0.892 0 N-CA-C 118.93 2.937 . . . . 0.0 118.93 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_exo -43.66 -34.07 5.22 Favored 'Trans proline' 0 C--N 1.364 1.366 0 CA-C-N 125.223 2.901 . . . . 0.0 117.058 -177.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.07 5.97 9.24 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.5 1.12 . . . . 0.0 114.003 173.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.45 -29.79 61.61 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.273 -1.517 . . . . 0.0 112.099 171.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.404 HD22 HD12 ' A' ' 83' ' ' LEU . 75.0 mt -80.89 1.57 30.25 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.498 0.719 . . . . 0.0 112.742 173.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.6 m -56.89 -31.12 64.54 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 120.469 1.486 . . . . 0.0 114.931 -177.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.51 -29.28 69.9 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 120.442 1.474 . . . . 0.0 112.759 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.404 HD12 HD22 ' A' ' 80' ' ' LEU . 5.9 mt -82.48 -38.0 24.52 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.379 1.472 . . . . 0.0 110.793 178.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.8 m -66.65 -29.21 69.18 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 124.31 1.044 . . . . 0.0 112.516 167.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.89 -47.93 67.46 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.429 1.468 . . . . 0.0 111.131 169.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 tp -50.9 -52.43 41.97 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.408 0.683 . . . . 0.0 111.483 167.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -70.18 -48.85 55.45 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 118.092 -0.956 . . . . 0.0 112.183 -175.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.46 -16.06 50.24 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 121.013 1.733 . . . . 0.0 114.646 -175.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -124.31 14.81 8.99 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.874 1.269 . . . . 0.0 113.183 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -140.68 -53.45 0.49 Allowed 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 116.114 1.894 . . . . 0.0 116.114 175.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mp -130.87 -21.92 2.67 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 116.739 2.126 . . . . 0.0 116.739 -176.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 50.64 32.08 6.48 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.734 2.013 . . . . 0.0 114.668 171.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 t -55.18 135.39 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.123 1.369 . . . . 0.0 111.913 -173.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -51.89 133.7 38.38 Favored Pre-proline 0 CA--C 1.554 1.118 0 C-N-CA 122.958 0.503 . . . . 0.0 112.354 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -47.16 -22.78 2.47 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 124.92 3.746 . . . . 0.0 116.477 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.7 p -45.73 -47.6 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 119.984 1.265 . . . . 0.0 112.005 168.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -65.98 -23.75 66.65 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 120.044 1.293 . . . . 0.0 112.438 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -60.27 -52.87 63.45 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.172 1.351 . . . . 0.0 108.981 170.546 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -56.13 -34.44 66.09 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.912 0.885 . . . . 0.0 111.262 -175.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.517 HD22 ' CE2' ' A' ' 36' ' ' PHE . 66.0 mt -68.75 -53.32 22.57 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.845 0.858 . . . . 0.0 111.836 175.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.51 -39.81 94.47 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.522 1.055 . . . . 0.0 112.065 -177.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.8 p -65.19 -42.62 93.43 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.161 0.891 . . . . 0.0 111.392 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -57.97 -50.28 73.93 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.662 0.785 . . . . 0.0 111.53 169.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 91.6 m -59.02 -37.56 77.23 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 118.325 -0.845 . . . . 0.0 113.162 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.45 -55.58 29.64 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 117.913 -1.041 . . . . 0.0 111.758 172.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.0 mt -45.82 -44.76 14.44 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.191 0.905 . . . . 0.0 111.161 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.66 -48.46 88.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 118.389 -0.815 . . . . 0.0 113.03 173.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -62.38 -44.15 97.14 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 120.824 1.647 . . . . 0.0 112.306 178.286 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.87 -46.49 89.21 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 122.963 0.505 . . . . 0.0 110.322 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.82 -27.8 60.57 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 173.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.64 -5.48 40.73 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 174.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -131.82 -23.58 2.26 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -173.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.7 mp -100.31 157.99 32.79 Favored Pre-proline 0 CA--C 1.555 1.167 0 C-N-CA 124.242 1.017 . . . . 0.0 110.358 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -53.34 -35.57 75.39 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 123.924 3.083 . . . . 0.0 114.808 -171.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.408 ' C ' ' H ' ' A' ' 117' ' ' PHE . . . -140.72 -56.82 0.52 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.108 1.363 . . . . 0.0 110.822 176.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 64.94 -13.79 0.11 Allowed 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.408 ' H ' ' C ' ' A' ' 115' ' ' ALA . 0.1 OUTLIER -126.5 18.02 7.53 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 126.865 2.066 . . . . 0.0 110.842 -173.575 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.2 p -54.36 163.4 1.3 Allowed Pre-proline 0 N--CA 1.486 1.366 0 C-N-CA 125.012 1.325 . . . . 0.0 110.295 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.49 ' HA ' HG21 ' B' ' 33' ' ' VAL . 36.9 Cg_exo -51.91 -41.4 63.57 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 CA-C-N 120.536 1.227 . . . . 0.0 113.913 176.186 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.74 -49.94 14.79 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 122.922 0.489 . . . . 0.0 111.122 174.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.4 t -70.84 -40.36 76.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 121.035 -1.04 . . . . 0.0 111.52 -168.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -45.36 93.36 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.439 1.018 . . . . 0.0 111.727 174.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.34 -55.5 30.83 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 122.895 0.478 . . . . 0.0 109.956 173.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 69.4 m -53.55 -51.1 64.0 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 126.474 1.91 . . . . 0.0 112.738 -176.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.7 mt -71.07 -44.39 65.84 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 117.969 -1.015 . . . . 0.0 112.557 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.0 -48.15 80.07 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.946 1.248 . . . . 0.0 111.669 -178.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -30.98 71.2 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 173.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -66.3 -52.97 41.91 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.795 1.18 . . . . 0.0 111.822 171.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.1 mt -59.09 -37.19 76.54 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.296 0.953 . . . . 0.0 110.23 175.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.47 -48.3 71.94 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.673 1.124 . . . . 0.0 112.112 167.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.491 ' CB ' HD11 ' A' ' 2' ' ' LEU . 22.1 m -60.01 -45.94 91.12 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 170.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 35.3 t -54.31 -51.44 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 119.478 1.036 . . . . 0.0 108.828 176.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 44.0 m -60.19 -50.48 73.49 Favored 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 125.976 1.71 . . . . 0.0 112.995 176.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 58.5 m -52.38 -41.69 63.34 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.653 1.569 . . . . 0.0 111.906 176.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 89.7 t -74.39 -38.9 47.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 122.621 0.368 . . . . 0.0 111.754 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.12 -23.57 64.0 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.433 -1.417 . . . . 0.0 113.836 174.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 59.2 p -95.63 -0.35 51.89 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.252 1.821 . . . . 0.0 111.822 171.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 58.4 m -58.49 143.73 44.69 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 122.558 1.171 . . . . 0.0 110.968 164.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -146.66 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 128.165 2.586 . . . . 0.0 111.9 175.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -52.59 -39.43 61.58 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -177.057 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 126.274 1.829 . . . . 0.0 112.941 -177.882 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.289 0.4 OUTLIER . . . . . 0 N--CA 1.517 2.901 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 t60 25.82 77.73 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 128.192 2.597 . . . . 0.0 115.439 -173.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.92 145.66 12.31 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.388 0.675 . . . . 0.0 112.087 -172.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.49 130.25 4.85 Favored Pre-proline 0 N--CA 1.481 1.1 0 CA-C-O 117.587 -1.197 . . . . 0.0 110.534 168.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -45.7 -43.25 18.89 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 124.26 3.307 . . . . 0.0 116.743 -169.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.54 -43.49 98.68 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.773 0.715 . . . . 0.0 112.28 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -70.03 -43.05 72.09 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.733 174.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -46.89 66.72 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.348 1.431 . . . . 0.0 110.657 170.271 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.84 -46.95 86.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 119.162 0.892 . . . . 0.0 111.152 175.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.96 -56.09 23.53 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.997 0.919 . . . . 0.0 113.225 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.88 -49.21 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 CA-C-N 119.088 0.858 . . . . 0.0 111.612 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.3 m -72.8 -38.92 67.06 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.208 0.913 . . . . 0.0 111.483 -168.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.26 -52.74 64.02 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-O 118.78 -0.628 . . . . 0.0 110.063 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.59 -37.39 87.16 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.749 -0.643 . . . . 0.0 111.889 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' TRP . . . . . 0.524 ' CZ2' ' HB3' ' B' ' 72' ' ' SER . 1.1 t90 -54.29 -47.68 72.12 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.138 0.881 . . . . 0.0 111.979 171.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.75 -8.44 7.74 Favored Glycine 0 CA--C 1.54 1.629 0 C-N-CA 125.125 1.345 . . . . 0.0 115.816 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.04 -8.51 5.97 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.978 2.111 . . . . 0.0 111.593 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.61 135.81 25.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.146 1.378 . . . . 0.0 110.092 173.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -85.2 84.33 7.72 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 45.9 t -52.49 -36.57 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -165.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -72.29 -36.32 68.93 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -91.1 -49.82 6.19 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.744 -0.597 . . . . 0.0 110.978 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -28.62 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 118.999 0.818 . . . . 0.0 112.277 169.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.68 -46.54 7.83 Favored Glycine 0 C--N 1.34 0.79 0 CA-C-N 119.44 1.018 . . . . 0.0 111.987 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.31 -39.99 93.39 Favored Glycine 0 N--CA 1.469 0.86 0 CA-C-N 118.104 0.952 . . . . 0.0 111.82 168.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.22 -52.08 60.53 Favored 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 124.613 1.165 . . . . 0.0 111.859 172.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.552 ' HA ' HG11 ' B' ' 113' ' ' VAL . . . -61.87 -49.76 74.95 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.913 1.688 . . . . 0.0 112.336 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.539 HD21 ' CD2' ' B' ' 63' ' ' HIS . 22.9 tp -69.79 -45.67 67.44 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 119.064 -0.493 . . . . 0.0 111.501 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.14 -45.48 95.94 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 119.482 1.037 . . . . 0.0 112.288 176.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.572 ' HA ' HG22 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -59.9 -28.34 67.49 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 117.871 -1.062 . . . . 0.0 111.567 175.675 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -53.8 32.97 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.493 1.497 . . . . 0.0 110.684 175.023 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.536 HD22 ' H ' ' B' ' 32' ' ' LEU . 1.0 OUTLIER -70.2 -31.0 68.25 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.993 0.517 . . . . 0.0 112.041 -179.234 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.572 HG22 ' HA ' ' B' ' 30' ' ' ARG . 1.0 OUTLIER -79.89 -10.32 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 174.833 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 98.5 t -100.48 -44.04 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-N 120.598 1.544 . . . . 0.0 110.82 176.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' TYR . . . . . 0.411 ' CZ ' HD22 ' B' ' 105' ' ' LEU . 83.6 m-85 -125.09 69.54 59.28 Favored Pre-proline 0 CA--C 1.533 0.294 0 C-N-CA 124.611 1.164 . . . . 0.0 110.574 -178.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_exo -44.12 -32.49 4.88 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.887 3.058 . . . . 0.0 115.907 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -51.05 -41.12 59.67 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.39 1.076 . . . . 0.0 113.049 174.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 75.1 p -59.91 -25.94 65.52 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.682 1.193 . . . . 0.0 112.62 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.32 -22.13 52.0 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-O 118.22 -0.895 . . . . 0.0 112.426 174.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -55.37 -33.32 63.32 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 121.245 1.838 . . . . 0.0 112.631 176.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -84.37 13.01 5.81 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 174.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 0.474 ' CG ' ' N ' ' B' ' 43' ' ' GLU . 0.8 OUTLIER -62.47 -78.27 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.908 1.231 . . . . 0.0 111.259 172.846 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.474 ' N ' ' CG ' ' B' ' 42' ' ' PHE . 40.5 mt-10 41.23 5.48 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.327 0 N-CA-C 117.906 2.558 . . . . 0.0 117.906 -165.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 92.2 p -142.11 -33.44 0.48 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.352 1.861 . . . . 0.0 114.144 -171.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.451 ' CE2' HD21 ' B' ' 32' ' ' LEU . 3.8 m-85 -50.91 -30.93 16.01 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.653 1.981 . . . . 0.0 112.99 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.56 -50.02 3.74 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.526 1.536 . . . . 0.0 114.379 165.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -92.3 -118.41 0.08 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.68 1.192 . . . . 0.0 108.172 171.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.95 -19.44 0.05 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 127.573 2.349 . . . . 0.0 116.323 -177.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 6.2 m -50.33 -25.06 3.39 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 127.048 2.139 . . . . 0.0 114.964 -176.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -132.35 157.55 77.99 Favored Pre-proline 0 N--CA 1.469 0.501 0 C-N-CA 125.848 1.659 . . . . 0.0 111.625 168.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -53.25 -50.84 12.57 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.36 3.373 . . . . 0.0 114.955 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -62.62 -35.59 80.06 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.064 0.945 . . . . 0.0 112.398 176.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.79 -38.25 88.51 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 118.6 -0.714 . . . . 0.0 112.639 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.493 HG21 HD23 ' B' ' 32' ' ' LEU . 0.5 OUTLIER -63.98 -38.17 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 CA-C-N 120.87 1.668 . . . . 0.0 112.361 177.885 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.66 -38.2 48.25 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.44 -15.92 78.99 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 123.756 0.693 . . . . 0.0 114.358 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -64.81 122.5 79.47 Favored Pre-proline 0 CA--C 1.547 0.848 0 CA-C-N 118.402 1.101 . . . . 0.0 112.733 -177.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -58.42 -35.49 98.62 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.167 2.578 . . . . 0.0 113.064 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -22.65 60.25 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 177.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 73.4 t -77.91 -35.94 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 CA-C-N 120.214 1.37 . . . . 0.0 110.986 169.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -60.97 -48.36 82.16 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.501 1.046 . . . . 0.0 111.606 167.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.3 -48.11 76.91 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' HIS . . . . . 0.539 ' CD2' HD21 ' B' ' 28' ' ' LEU . 1.0 OUTLIER -64.62 -36.24 83.62 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 120.533 -1.354 . . . . 0.0 111.262 171.765 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.95 -47.96 64.22 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 125.913 1.72 . . . . 0.0 113.117 172.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -59.97 -32.52 70.9 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 169.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -76.83 -47.86 20.18 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.295 1.038 . . . . 0.0 113.36 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.82 -42.88 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-N 119.814 1.188 . . . . 0.0 110.773 170.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -77.71 -34.27 52.83 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.778 -1.202 . . . . 0.0 112.772 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.06 -33.33 50.99 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.546 1.546 . . . . 0.0 113.223 167.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.42 -43.11 74.05 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.603 -0.94 . . . . 0.0 112.358 169.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -59.06 -40.99 86.86 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 120.291 1.405 . . . . 0.0 112.17 173.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' SER . . . . . 0.524 ' HB3' ' CZ2' ' B' ' 15' ' ' TRP . 0.3 OUTLIER -66.86 -40.58 87.91 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 120.989 1.722 . . . . 0.0 114.087 171.035 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -56.87 -27.4 60.37 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.79 1.177 . . . . 0.0 111.947 169.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.14 -69.13 1.38 Allowed Glycine 0 C--N 1.339 0.714 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 164.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.32 -30.61 12.42 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -178.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.6 -14.33 58.89 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.986 1.714 . . . . 0.0 114.935 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -149.54 36.01 0.72 Allowed 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -167.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 69.4 mt -64.3 -2.45 2.18 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -79.22 -7.03 57.93 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.892 1.677 . . . . 0.0 114.217 174.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -133.55 -47.87 0.82 Allowed 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -174.004 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 50.22 14.93 0.16 Allowed 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 126.678 1.991 . . . . 0.0 116.36 -175.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -139.72 -60.92 0.54 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.179 -1.575 . . . . 0.0 111.281 -177.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.47 -38.27 90.49 Favored Glycine 0 N--CA 1.478 1.46 0 C-N-CA 124.098 0.856 . . . . 0.0 114.865 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.5 t -69.66 -24.97 63.69 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.418 1.109 . . . . 0.0 113.122 175.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -109.67 1.52 19.59 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 117.504 -1.236 . . . . 0.0 114.187 -174.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.11 -40.06 57.59 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 121.194 1.815 . . . . 0.0 114.265 -171.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.4 p -64.17 -44.08 93.17 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.646 1.179 . . . . 0.0 113.117 172.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 12.4 mt -66.69 -43.2 85.06 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 118.425 -0.798 . . . . 0.0 111.397 173.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 5.2 t -59.62 -40.42 87.5 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.67 1.188 . . . . 0.0 111.77 176.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.83 -54.83 40.35 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.644 0.778 . . . . 0.0 111.678 170.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 28.3 tp -52.27 -48.33 65.34 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.214 -0.929 . . . . 0.0 111.299 175.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -81.68 11.69 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 125.596 1.558 . . . . 0.0 114.292 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 40.5 t -134.18 -56.67 0.86 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.589 1.156 . . . . 0.0 111.112 175.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -74.14 -43.83 55.97 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.004 -1.06 . . . . 0.0 112.221 -175.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -84.94 -37.05 20.99 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.727 0.811 . . . . 0.0 111.723 173.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 8.6 mt -136.88 54.47 1.87 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 124.836 1.254 . . . . 0.0 113.187 -167.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -59.05 19.99 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 116.353 1.983 . . . . 0.0 116.353 177.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -41.55 136.59 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 126.197 1.799 . . . . 0.0 112.121 -178.186 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.57 128.86 43.91 Favored Pre-proline 0 CA--C 1.557 1.238 0 CA-C-O 118.396 -0.811 . . . . 0.0 111.826 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -44.88 -29.8 3.94 Favored 'Trans proline' 0 C--N 1.357 1.005 1 C-N-CA 125.705 4.27 . . . . 0.0 117.313 -169.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -45.87 -40.57 10.12 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.039 1.736 . . . . 0.0 112.735 171.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.68 -32.56 73.66 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.52 -1.362 . . . . 0.0 113.052 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -68.85 -47.87 64.88 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.595 1.088 . . . . 0.0 110.225 174.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -44.16 73.97 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.521 0.728 . . . . 0.0 110.683 174.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.411 HD22 ' CZ ' ' B' ' 35' ' ' TYR . 58.6 mt -59.41 -48.11 82.9 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.836 1.255 . . . . 0.0 112.941 173.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -46.67 82.11 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.9 1.227 . . . . 0.0 111.105 175.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 107' ' ' GLY . . . . . 0.404 ' HA3' HG11 ' B' ' 134' ' ' VAL . . . -55.47 -49.63 63.85 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 123.693 0.663 . . . . 0.0 113.793 173.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -56.89 -36.8 70.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.91 1.684 . . . . 0.0 111.945 176.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.34 -48.69 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 O-C-N 121.285 -0.884 . . . . 0.0 111.971 173.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 60.3 tp -53.51 -50.19 65.94 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.362 0.983 . . . . 0.0 111.229 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 22.9 m -61.78 -35.75 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.14 -38.22 82.46 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.175 0.898 . . . . 0.0 113.011 169.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' VAL . . . . . 0.552 HG11 ' HA ' ' B' ' 27' ' ' ALA . 2.1 m -74.58 -36.55 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.957 1.253 . . . . 0.0 112.902 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.57 -38.0 89.45 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.847 -0.533 . . . . 0.0 110.41 172.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.42 -35.41 77.48 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 171.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -60.68 -59.44 5.39 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.659 0.663 . . . . 0.0 110.823 168.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -76.24 -23.89 54.54 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -166.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -130.74 23.65 5.02 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.917 1.287 . . . . 0.0 113.317 -172.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -38.69 -37.0 0.51 Allowed Glycine 0 N--CA 1.48 1.616 0 N-CA-C 117.712 1.845 . . . . 0.0 117.712 -173.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -63.27 -46.59 86.11 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.247 1.419 . . . . 0.0 112.872 175.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -85.54 -23.93 27.47 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.057 1.743 . . . . 0.0 111.457 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -73.75 45.73 0.2 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.327 2.251 . . . . 0.0 112.643 169.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 3.8 t -52.61 150.57 9.1 Favored Pre-proline 0 N--CA 1.475 0.782 0 C-N-CA 124.549 1.14 . . . . 0.0 110.889 167.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . 0.275 13.4 Cg_exo -32.62 -49.65 0.36 Allowed 'Trans proline' 0 CA--C 1.55 1.285 0 C-N-CA 124.7 3.6 . . . . 0.0 117.953 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 125' ' ' PRO . . . . . 0.439 ' HA ' HD11 ' A' ' 34' ' ' LEU . 23.2 Cg_exo -65.82 -24.47 54.1 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.741 2.294 . . . . 0.0 116.469 -179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 1.6 t -59.75 -42.02 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 119.493 1.042 . . . . 0.0 111.685 178.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -62.96 -44.34 96.31 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.584 175.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.91 92.14 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.421 1.01 . . . . 0.0 111.586 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -56.44 -55.54 32.34 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.368 0.667 . . . . 0.0 112.44 173.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -57.82 -47.49 82.47 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 121.532 -0.73 . . . . 0.0 111.452 175.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -53.97 -34.94 61.16 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 117.355 -1.307 . . . . 0.0 113.028 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -75.51 -45.88 35.6 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 120.134 1.334 . . . . 0.0 113.378 173.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 1.3 p -62.21 -39.43 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 CA-C-N 120.835 1.652 . . . . 0.0 111.391 176.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.404 HG11 ' HA3' ' B' ' 107' ' ' GLY . 56.0 t -64.55 -39.53 85.92 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 C-N-CA 126.536 1.934 . . . . 0.0 111.351 174.051 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.48 96.22 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.843 1.201 . . . . 0.0 111.734 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.74 -48.67 76.0 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 174.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 2.0 t -62.43 -42.18 94.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 173.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.46 -48.73 80.48 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 120.258 1.39 . . . . 0.0 111.236 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -64.4 -33.0 74.86 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 172.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.81 66.71 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 119.523 1.056 . . . . 0.0 111.668 172.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.33 -24.59 63.93 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.391 -0.818 . . . . 0.0 111.365 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 142' ' ' ALA . . . . . 0.481 ' HA ' ' CE1' ' B' ' 145' ' ' TYR . . . -86.29 -1.07 57.17 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 169.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -60.0 -47.35 86.2 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 119.765 -1.834 . . . . 0.0 112.444 -175.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -57.91 -5.38 0.41 Allowed 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 145' ' ' TYR . . . . . 0.481 ' CE1' ' HA ' ' B' ' 142' ' ' ALA . 1.4 m-85 -71.79 -7.29 47.36 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.833 1.253 . . . . 0.0 111.877 178.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 C--O 1.255 1.376 0 C-N-CA 125.78 1.632 . . . . 0.0 114.528 169.606 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.369 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.622 HD13 HG22 ' C' ' 73' ' ' VAL . 0.6 OUTLIER -152.02 170.95 18.65 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 122.572 2.442 . . . . 0.0 109.914 -177.855 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 168.93 -27.3 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.622 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -58.72 -161.07 0.02 OUTLIER 'Trans proline' 0 CA--C 1.545 1.072 0 C-N-CA 124.339 3.36 . . . . 0.0 115.189 172.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -45.86 -29.93 1.53 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.958 1.303 . . . . 0.0 114.285 177.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -47.45 -63.4 1.06 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 168.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -50.97 -45.07 60.76 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.039 1.336 . . . . 0.0 111.12 175.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 96.9 m -61.01 -49.58 76.83 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.606 0.762 . . . . 0.0 112.271 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.1 -38.24 90.09 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.121 0.969 . . . . 0.0 112.023 178.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 48.6 t -62.08 -47.91 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.744 1.218 . . . . 0.0 111.395 172.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -61.25 -44.66 96.89 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.317 0.962 . . . . 0.0 111.96 173.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.95 -50.24 74.03 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.389 0.676 . . . . 0.0 111.181 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.77 -57.51 12.44 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.76 0.824 . . . . 0.0 111.358 173.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -63.55 -23.97 67.61 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -175.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.81 -40.18 98.16 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.949 1.262 . . . . 0.0 113.358 170.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -70.66 -35.6 72.94 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.239 1.019 . . . . 0.0 111.304 170.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 98.6 t -64.9 -29.15 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.788 1.235 . . . . 0.0 113.248 176.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.37 123.28 1.02 Allowed Glycine 0 CA--C 1.542 1.74 0 C-N-CA 125.178 1.37 . . . . 0.0 113.817 176.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 81.16 -41.98 0.17 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 129.312 3.045 . . . . 0.0 114.28 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -77.13 -11.74 59.85 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.534 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -42.38 -52.94 4.42 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.615 1.966 . . . . 0.0 113.767 -178.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.04 -33.28 86.75 Favored Glycine 0 CA--C 1.527 0.79 0 O-C-N 121.829 -0.544 . . . . 0.0 114.219 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.68 -45.6 89.37 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.385 1.074 . . . . 0.0 109.927 173.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' TYR . . . . . 0.451 ' HA ' HG21 ' C' ' 108' ' ' THR . 14.4 m-30 -65.91 -37.37 85.91 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.88 -49.71 75.55 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 123.258 0.456 . . . . 0.0 112.367 168.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.27 -49.12 77.06 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.233 1.017 . . . . 0.0 112.479 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -38.26 90.45 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 121.743 -0.598 . . . . 0.0 112.386 174.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.42 98.87 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.646 1.112 . . . . 0.0 112.254 177.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 65.4 mt -62.82 -49.43 74.93 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.128 0.971 . . . . 0.0 111.62 174.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -57.22 -46.65 82.76 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.598 0.636 . . . . 0.0 112.069 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 ttm-85 -61.19 -46.21 91.4 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.979 0.912 . . . . 0.0 111.568 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 47.2 ttp -58.4 -51.02 71.6 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 118.896 -0.573 . . . . 0.0 111.05 173.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -52.31 -57.25 10.34 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.544 0.738 . . . . 0.0 111.882 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.453 HD11 ' HA ' ' D' ' 125' ' ' PRO . 0.6 OUTLIER -69.53 -36.03 76.02 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.265 0.484 . . . . 0.0 111.572 -174.582 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 10.1 t -75.01 -30.63 61.18 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.432 0.693 . . . . 0.0 112.844 -175.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' PHE . . . . . 0.516 ' CE2' HD22 ' C' ' 100' ' ' LEU . 98.5 m-85 -136.77 71.0 58.05 Favored Pre-proline 0 CA--C 1.536 0.428 0 C-N-CA 126.109 1.764 . . . . 0.0 109.338 -175.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -60.91 -13.28 26.18 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.114 2.542 . . . . 0.0 113.65 -173.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.2 -36.13 1.64 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 163.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -36.57 74.78 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 121.573 1.988 . . . . 0.0 113.804 173.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -17.6 29.17 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 120.778 1.626 . . . . 0.0 114.457 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.25 -20.78 60.04 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 176.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -69.59 14.83 0.09 Allowed 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 119.103 0.865 . . . . 0.0 113.1 178.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 9.7 t80 63.56 59.73 1.89 Allowed Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 126.985 2.114 . . . . 0.0 112.07 172.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -62.3 123.64 12.85 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.68 2.92 . . . . 0.0 110.618 -175.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -66.93 3.78 1.0 Allowed 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 175.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -140.91 150.28 42.97 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.696 1.998 . . . . 0.0 111.301 -167.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.14 95.3 3.07 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 166.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.506 HD13 ' H ' ' C' ' 48' ' ' LEU . 0.0 OUTLIER -59.72 1.87 0.09 Allowed 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 115.562 1.69 . . . . 0.0 115.562 172.184 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 5.4 m -59.32 155.17 15.08 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 127.445 2.298 . . . . 0.0 113.71 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -50.67 141.28 13.03 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 169.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.31 1.74 29.65 Favored Glycine 0 CA--C 1.541 1.679 0 N-CA-C 116.223 1.249 . . . . 0.0 116.223 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 11.5 t -60.25 136.13 57.94 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.986 1.393 . . . . 0.0 113.528 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.23 -20.53 66.1 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 171.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -82.02 -41.52 20.56 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.739 0.816 . . . . 0.0 111.313 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 91.5 t -62.73 -40.39 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.765 0.826 . . . . 0.0 112.048 -177.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -59.25 -42.8 91.98 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.305 0.957 . . . . 0.0 113.178 174.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.49 -44.51 72.57 Favored Glycine 0 N--CA 1.472 1.061 0 C-N-CA 123.843 0.735 . . . . 0.0 112.486 -178.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -61.22 -47.89 84.01 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 122.204 -0.586 . . . . 0.0 110.878 170.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.43 -49.59 56.29 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 124.385 0.993 . . . . 0.0 113.913 176.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -53.35 -46.39 69.52 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.548 1.139 . . . . 0.0 112.077 171.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -44.82 80.47 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 60.8 t -57.8 -43.63 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 120.057 1.299 . . . . 0.0 110.377 171.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 63' ' ' ALA . . . . . 0.534 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -64.88 -46.11 83.16 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 118.634 -0.698 . . . . 0.0 112.538 178.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.39 -37.65 78.52 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.842 1.201 . . . . 0.0 112.323 173.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 65' ' ' ALA . . . . . 0.491 ' HA ' HD21 ' C' ' 68' ' ' ASN . . . -61.3 -40.84 95.66 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.841 -0.537 . . . . 0.0 112.079 170.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -41.22 98.08 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 118.546 -0.74 . . . . 0.0 111.641 171.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 13.9 m -58.33 -42.92 87.88 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 120.298 1.408 . . . . 0.0 111.39 171.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 68' ' ' ASN . . . . . 0.491 HD21 ' HA ' ' C' ' 65' ' ' ALA . 0.1 OUTLIER -66.64 -31.26 71.83 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.892 1.224 . . . . 0.0 111.995 174.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.43 -41.82 75.81 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.336 172.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 81.9 t -65.23 -48.66 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 120.059 1.299 . . . . 0.0 111.119 174.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.46 -30.62 65.19 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.296 1.438 . . . . 0.0 113.071 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -129.37 35.02 4.29 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 124.675 1.19 . . . . 0.0 111.252 -176.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.622 HG22 HD13 ' C' ' 2' ' ' LEU 0.259 8.5 p -57.61 -25.48 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 O-C-N 119.951 -1.718 . . . . 0.0 113.779 -171.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -94.53 -11.78 28.89 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 170.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -124.52 5.96 8.28 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.118 2.167 . . . . 0.0 112.834 -167.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -78.86 -3.78 0.07 OUTLIER Pre-proline 0 CA--C 1.55 0.948 0 N-CA-C 118.963 2.949 . . . . 0.0 118.963 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -43.64 -34.12 5.21 Favored 'Trans proline' 0 C--N 1.362 1.286 0 CA-C-N 125.148 2.874 . . . . 0.0 117.06 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.08 6.0 9.23 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.575 1.15 . . . . 0.0 113.952 173.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.58 -29.91 61.51 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.334 -1.479 . . . . 0.0 112.156 171.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 80' ' ' LEU . . . . . 0.41 HD22 HD12 ' C' ' 83' ' ' LEU . 75.1 mt -80.88 1.65 29.92 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.458 0.703 . . . . 0.0 112.836 173.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 66.9 m -57.04 -31.08 64.79 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.63 -28.98 69.5 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 120.452 1.478 . . . . 0.0 112.854 172.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 83' ' ' LEU . . . . . 0.41 HD12 HD22 ' C' ' 80' ' ' LEU . 5.9 mt -82.65 -37.95 24.17 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.406 1.483 . . . . 0.0 110.845 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 18.9 m -66.67 -29.24 69.2 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 124.408 1.083 . . . . 0.0 112.466 167.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -68.04 -47.88 67.17 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.449 1.477 . . . . 0.0 111.038 169.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 7.2 tp -50.85 -52.49 41.04 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.439 0.696 . . . . 0.0 111.41 167.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -69.94 -50.72 39.28 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 118.185 -0.912 . . . . 0.0 112.132 -176.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.42 -16.42 54.48 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 120.955 1.707 . . . . 0.0 114.738 -175.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -124.08 14.86 9.15 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.903 1.281 . . . . 0.0 113.263 -175.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -140.78 -53.18 0.48 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 116.175 1.917 . . . . 0.0 116.175 175.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mp -131.03 -21.86 2.63 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 116.656 2.095 . . . . 0.0 116.656 -176.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 50.76 31.68 6.23 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.74 2.016 . . . . 0.0 114.704 171.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 t -54.97 135.45 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.225 1.41 . . . . 0.0 111.994 -173.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -51.87 133.59 38.2 Favored Pre-proline 0 CA--C 1.554 1.113 0 C-N-CA 122.995 0.518 . . . . 0.0 112.387 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -47.08 -22.59 2.25 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 124.891 3.728 . . . . 0.0 116.621 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 13.9 p -46.11 -47.45 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 119.882 1.219 . . . . 0.0 111.892 169.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -65.96 -23.71 66.65 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 120.046 1.294 . . . . 0.0 112.472 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 98' ' ' PHE . . . . . 0.486 ' C ' ' CD1' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -60.27 -52.94 63.14 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.131 1.332 . . . . 0.0 109.006 170.527 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -56.16 -34.38 66.11 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.797 0.839 . . . . 0.0 111.275 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 100' ' ' LEU . . . . . 0.516 HD22 ' CE2' ' C' ' 36' ' ' PHE . 66.7 mt -68.78 -53.25 22.84 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.723 0.809 . . . . 0.0 111.82 175.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -39.98 94.84 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.592 1.087 . . . . 0.0 112.126 -177.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 78.1 p -64.76 -42.86 94.82 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 119.002 0.819 . . . . 0.0 111.379 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -58.19 -50.07 74.83 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.524 0.73 . . . . 0.0 111.442 169.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 91.3 m -59.17 -37.5 77.51 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.226 -0.893 . . . . 0.0 113.137 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 46.0 mt -61.42 -55.46 31.11 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 117.988 -1.006 . . . . 0.0 111.805 172.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 15.2 mt -45.89 -44.73 14.78 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.149 0.886 . . . . 0.0 111.177 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.7 -48.42 88.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 118.339 -0.839 . . . . 0.0 113.144 173.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 108' ' ' THR . . . . . 0.451 HG21 ' HA ' ' C' ' 24' ' ' TYR . 0.2 OUTLIER -62.4 -44.03 97.41 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.86 1.664 . . . . 0.0 112.453 178.156 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.85 -46.53 89.04 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.063 0.545 . . . . 0.0 110.382 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.74 -27.78 59.92 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 173.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.71 -5.39 40.3 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 174.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -131.84 -23.72 2.24 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.659 1.725 . . . . 0.0 115.659 -173.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.8 mp -100.35 158.05 32.68 Favored Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 124.249 1.02 . . . . 0.0 110.342 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -53.47 -35.48 76.24 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 123.837 3.025 . . . . 0.0 114.802 -171.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 115' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' C' ' 117' ' ' PHE . . . -140.87 -56.78 0.51 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.023 1.329 . . . . 0.0 110.718 176.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 65.08 -13.9 0.11 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -177.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 117' ' ' PHE . . . . . 0.409 ' H ' ' C ' ' C' ' 115' ' ' ALA . 0.1 OUTLIER -126.29 17.88 7.67 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 126.904 2.081 . . . . 0.0 110.762 -173.55 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 1.1 p -54.34 163.37 1.31 Allowed Pre-proline 0 N--CA 1.488 1.445 0 C-N-CA 124.889 1.276 . . . . 0.0 110.37 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 119' ' ' PRO . . . . . 0.478 ' HA ' HG21 ' D' ' 33' ' ' VAL . 37.9 Cg_exo -51.9 -41.37 63.68 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 CA-C-N 120.465 1.202 . . . . 0.0 113.958 176.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.67 -49.93 14.94 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 122.84 0.456 . . . . 0.0 111.226 174.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 41.1 t -70.74 -40.51 76.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.096 -1.003 . . . . 0.0 111.493 -168.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.37 -45.32 93.68 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.464 1.029 . . . . 0.0 111.84 174.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.43 -55.37 32.51 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 122.865 0.466 . . . . 0.0 109.965 173.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 69.6 m -53.51 -51.21 63.57 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 126.436 1.894 . . . . 0.0 112.763 -176.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 9.7 mt -70.86 -44.61 66.02 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 117.979 -1.01 . . . . 0.0 112.553 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -62.81 -48.27 79.83 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.927 1.239 . . . . 0.0 111.667 -177.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -30.88 71.09 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 173.375 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -66.41 -53.08 39.91 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.789 1.177 . . . . 0.0 111.729 171.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 5.1 mt -59.08 -36.97 76.01 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.355 0.979 . . . . 0.0 110.324 175.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.59 -48.25 72.36 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.634 1.106 . . . . 0.0 112.128 167.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 131' ' ' SER . . . . . 0.482 ' CB ' HD11 ' C' ' 2' ' ' LEU . 20.9 m -60.05 -46.05 90.82 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 170.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 34.2 t -54.17 -51.49 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 119.356 0.98 . . . . 0.0 108.908 176.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 45.7 m -60.3 -50.16 74.75 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 125.918 1.687 . . . . 0.0 112.961 176.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 55.7 m -52.72 -41.45 63.98 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.719 1.599 . . . . 0.0 111.826 176.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 91.1 t -74.64 -38.92 46.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 122.713 0.405 . . . . 0.0 111.554 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.01 -23.77 64.13 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.475 -1.39 . . . . 0.0 113.863 174.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 60.8 p -95.39 -0.5 52.48 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.208 1.803 . . . . 0.0 111.789 171.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 58.4 m -58.43 143.83 44.07 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 122.464 1.126 . . . . 0.0 111.005 164.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.53 -146.72 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 128.242 2.617 . . . . 0.0 111.905 175.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -39.46 61.83 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -177.047 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 . . . . . 0 C--O 1.252 1.195 0 C-N-CA 126.357 1.863 . . . . 0.0 112.892 -177.765 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.286 0.4 OUTLIER . . . . . 0 N--CA 1.518 2.927 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 t60 25.71 77.7 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 128.265 2.626 . . . . 0.0 115.456 -173.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.87 145.59 12.3 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.487 0.715 . . . . 0.0 112.028 -172.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.28 130.29 4.62 Favored Pre-proline 0 N--CA 1.482 1.14 0 CA-C-O 117.609 -1.186 . . . . 0.0 110.558 168.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -45.73 -43.38 18.89 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 124.346 3.364 . . . . 0.0 116.694 -169.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.53 -43.47 98.74 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 118.801 0.728 . . . . 0.0 112.346 176.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.98 -43.04 72.29 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.788 174.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -46.82 66.67 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 120.298 1.408 . . . . 0.0 110.66 170.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -46.74 87.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 119.24 0.927 . . . . 0.0 111.148 175.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.09 -55.99 24.91 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.011 0.924 . . . . 0.0 113.126 177.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.96 -49.32 80.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 119.117 0.872 . . . . 0.0 111.569 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -72.79 -38.79 67.12 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.258 0.935 . . . . 0.0 111.512 -168.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.45 -52.77 63.8 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 118.776 -0.63 . . . . 0.0 109.902 175.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.68 -37.36 87.05 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.683 0.674 . . . . 0.0 111.815 179.273 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 15' ' ' TRP . . . . . 0.526 ' CZ2' ' HB3' ' D' ' 72' ' ' SER . 1.1 t90 -54.25 -47.63 72.04 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.179 0.9 . . . . 0.0 112.028 171.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.85 -8.44 7.99 Favored Glycine 0 CA--C 1.541 1.665 0 C-N-CA 125.139 1.352 . . . . 0.0 115.808 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.03 -8.42 5.98 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.996 2.118 . . . . 0.0 111.666 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.7 135.92 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 125.148 1.379 . . . . 0.0 110.138 173.21 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -85.33 84.33 7.69 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 46.0 t -52.44 -36.65 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -165.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -72.3 -36.02 68.82 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 176.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -91.48 -49.84 6.11 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.793 -0.567 . . . . 0.0 110.97 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.09 -28.58 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 119.081 0.855 . . . . 0.0 112.41 169.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.66 -46.6 7.8 Favored Glycine 0 C--N 1.341 0.815 0 CA-C-N 119.418 1.008 . . . . 0.0 112.008 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.35 -39.83 93.27 Favored Glycine 0 N--CA 1.47 0.912 0 CA-C-N 118.158 0.979 . . . . 0.0 111.836 169.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.11 -52.33 59.71 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 124.521 1.128 . . . . 0.0 111.858 172.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 27' ' ' ALA . . . . . 0.553 ' HA ' HG11 ' D' ' 113' ' ' VAL . . . -61.75 -49.55 75.95 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.887 1.676 . . . . 0.0 112.436 -178.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.539 HD21 ' CD2' ' D' ' 63' ' ' HIS . 23.4 tp -70.03 -45.6 66.84 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 119.025 -0.512 . . . . 0.0 111.459 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.15 -45.42 96.05 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 119.485 1.039 . . . . 0.0 112.263 176.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 30' ' ' ARG . . . . . 0.586 ' HA ' HG22 ' D' ' 33' ' ' VAL . 0.0 OUTLIER -59.87 -28.41 67.51 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 117.77 -1.109 . . . . 0.0 111.436 175.594 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -53.75 33.71 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 120.581 1.537 . . . . 0.0 110.645 175.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 32' ' ' LEU . . . . . 0.552 HD22 ' H ' ' D' ' 32' ' ' LEU . 1.0 OUTLIER -70.23 -31.05 68.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.894 0.478 . . . . 0.0 112.056 -179.121 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 33' ' ' VAL . . . . . 0.586 HG22 ' HA ' ' D' ' 30' ' ' ARG . 1.0 OUTLIER -79.8 -10.25 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 174.828 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 98.4 t -100.5 -44.13 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 120.688 1.585 . . . . 0.0 110.769 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 35' ' ' TYR . . . . . 0.414 ' CZ ' HD22 ' D' ' 105' ' ' LEU . 83.5 m-85 -125.07 69.68 59.43 Favored Pre-proline 0 CA--C 1.533 0.323 0 C-N-CA 124.563 1.145 . . . . 0.0 110.482 -178.088 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -44.23 -32.45 5.06 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.854 3.036 . . . . 0.0 115.858 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -50.93 -41.2 58.72 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.425 1.09 . . . . 0.0 113.139 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 75.3 p -59.88 -25.92 65.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.8 1.24 . . . . 0.0 112.585 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.3 -22.24 52.18 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 118.322 -0.847 . . . . 0.0 112.434 174.118 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -55.56 -32.99 63.46 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 121.246 1.839 . . . . 0.0 112.67 177.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -84.43 12.88 6.08 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 174.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 42' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' D' ' 43' ' ' GLU . 0.8 OUTLIER -62.39 -78.31 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.904 1.229 . . . . 0.0 111.213 172.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 43' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' D' ' 42' ' ' PHE . 41.3 mt-10 41.21 5.48 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.332 0 N-CA-C 117.977 2.584 . . . . 0.0 117.977 -165.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 92.1 p -142.14 -33.4 0.48 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.285 1.834 . . . . 0.0 114.106 -171.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 45' ' ' PHE . . . . . 0.454 ' CE2' HD21 ' D' ' 32' ' ' LEU . 3.7 m-85 -50.8 -31.05 15.84 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.696 1.999 . . . . 0.0 112.949 178.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.59 -50.09 3.76 Favored Glycine 0 N--CA 1.473 1.143 0 C-N-CA 125.47 1.509 . . . . 0.0 114.464 165.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -92.37 -118.32 0.08 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.628 1.171 . . . . 0.0 108.181 171.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.9 -19.45 0.05 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 127.509 2.324 . . . . 0.0 116.295 -177.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -50.32 -25.13 3.46 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 127.209 2.204 . . . . 0.0 114.894 -176.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -132.36 157.39 78.39 Favored Pre-proline 0 N--CA 1.468 0.444 0 C-N-CA 125.817 1.647 . . . . 0.0 111.642 168.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -53.08 -50.95 12.26 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 124.366 3.378 . . . . 0.0 114.893 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -62.52 -35.69 80.22 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.069 0.947 . . . . 0.0 112.409 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.72 -38.23 88.61 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 118.605 -0.712 . . . . 0.0 112.661 177.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 54' ' ' VAL . . . . . 0.494 HG21 HD23 ' D' ' 32' ' ' LEU . 0.6 OUTLIER -64.05 -38.08 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-N 120.892 1.678 . . . . 0.0 112.38 177.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -38.12 48.18 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.57 -15.85 78.87 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 123.651 0.643 . . . . 0.0 114.444 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -64.58 122.5 78.94 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-N 118.354 1.077 . . . . 0.0 112.787 -177.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -58.38 -35.47 98.65 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.266 2.644 . . . . 0.0 113.083 177.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -22.56 60.07 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 177.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 73.2 t -78.02 -36.03 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 CA-C-N 120.241 1.382 . . . . 0.0 110.941 169.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -60.77 -48.4 81.98 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.47 1.032 . . . . 0.0 111.698 167.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.18 76.53 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 63' ' ' HIS . . . . . 0.539 ' CD2' HD21 ' D' ' 28' ' ' LEU . 1.0 OUTLIER -64.51 -36.46 84.28 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 120.568 -1.333 . . . . 0.0 111.199 171.876 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.94 -48.0 64.07 Favored Glycine 0 N--CA 1.471 1.032 0 C-N-CA 125.984 1.755 . . . . 0.0 112.954 172.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -59.87 -32.6 70.87 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 170.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -76.94 -47.88 19.72 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.184 0.994 . . . . 0.0 113.285 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.71 -42.95 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.761 1.164 . . . . 0.0 110.931 170.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -77.6 -34.08 53.57 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.892 -1.13 . . . . 0.0 112.874 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.05 -33.6 51.28 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.568 1.556 . . . . 0.0 113.218 167.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.13 -43.11 75.04 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.607 -0.937 . . . . 0.0 112.47 169.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -58.96 -41.11 86.71 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.208 1.367 . . . . 0.0 112.325 173.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 72' ' ' SER . . . . . 0.526 ' HB3' ' CZ2' ' D' ' 15' ' ' TRP . 0.3 OUTLIER -66.73 -40.72 88.47 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 120.873 1.67 . . . . 0.0 114.055 171.055 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -56.87 -27.45 60.47 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.666 1.121 . . . . 0.0 111.929 169.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.12 -69.29 1.33 Allowed Glycine 0 C--N 1.338 0.646 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 164.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.31 -30.56 12.26 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -178.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.51 -14.42 58.89 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.994 1.718 . . . . 0.0 114.842 176.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -149.49 35.92 0.72 Allowed 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -167.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 69.7 mt -64.36 -2.41 2.2 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -79.29 -6.88 57.69 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.89 1.676 . . . . 0.0 114.181 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -133.67 -47.85 0.81 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -174.093 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 50.26 14.72 0.16 Allowed 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 -175.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -139.57 -60.84 0.55 Allowed 'General case' 0 N--CA 1.485 1.281 0 O-C-N 120.125 -1.609 . . . . 0.0 111.319 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.57 -38.34 91.08 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.01 0.814 . . . . 0.0 114.873 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.5 t -69.56 -25.14 63.85 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 118.429 1.114 . . . . 0.0 113.153 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -109.5 1.7 19.97 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -174.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.09 -40.15 57.72 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 121.072 1.76 . . . . 0.0 114.261 -171.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 4.3 p -64.09 -44.27 92.85 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.587 1.155 . . . . 0.0 113.039 172.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 12.4 mt -66.45 -43.35 85.81 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-O 118.567 -0.73 . . . . 0.0 111.41 173.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 5.2 t -59.5 -40.58 87.53 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.696 1.199 . . . . 0.0 111.737 176.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.75 -54.99 38.53 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.399 -0.813 . . . . 0.0 111.566 170.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 28.7 tp -52.12 -48.34 64.88 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.221 -0.924 . . . . 0.0 111.309 175.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -81.73 11.59 4.69 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 125.626 1.57 . . . . 0.0 114.23 -175.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 40.9 t -134.01 -56.71 0.87 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.696 1.198 . . . . 0.0 111.211 175.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -74.25 -43.71 55.9 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.128 -0.983 . . . . 0.0 112.175 -175.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -84.99 -37.07 20.87 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.658 0.783 . . . . 0.0 111.678 173.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 8.6 mt -136.84 54.49 1.87 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.906 1.282 . . . . 0.0 113.159 -166.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -59.14 20.1 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 116.169 1.914 . . . . 0.0 116.169 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -41.75 136.69 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 126.228 1.811 . . . . 0.0 112.01 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.51 128.86 43.35 Favored Pre-proline 0 CA--C 1.555 1.138 0 CA-C-O 118.353 -0.832 . . . . 0.0 111.898 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -45.05 -29.77 4.17 Favored 'Trans proline' 0 C--N 1.356 0.942 1 C-N-CA 125.717 4.278 . . . . 0.0 117.219 -169.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -45.73 -40.61 9.6 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.128 1.771 . . . . 0.0 112.755 171.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -32.69 73.89 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 120.468 -1.395 . . . . 0.0 112.926 178.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -68.7 -48.05 64.85 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.598 1.09 . . . . 0.0 110.224 174.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -44.15 73.64 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.556 0.742 . . . . 0.0 110.693 174.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 105' ' ' LEU . . . . . 0.414 HD22 ' CZ ' ' D' ' 35' ' ' TYR . 58.5 mt -59.56 -47.98 83.43 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.825 1.25 . . . . 0.0 112.852 173.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.12 -46.58 82.53 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.007 1.276 . . . . 0.0 111.077 175.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.61 -49.61 64.5 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 123.751 0.691 . . . . 0.0 113.688 173.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -57.04 -36.63 70.71 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.968 1.707 . . . . 0.0 111.902 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.43 -48.81 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 O-C-N 121.275 -0.891 . . . . 0.0 111.912 173.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 60.3 tp -53.4 -50.19 65.68 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.478 1.036 . . . . 0.0 111.29 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 23.2 m -61.92 -35.65 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.01 -38.3 82.27 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.193 0.906 . . . . 0.0 113.136 169.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 113' ' ' VAL . . . . . 0.553 HG11 ' HA ' ' D' ' 27' ' ' ALA . 2.1 m -74.48 -36.61 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 O-C-N 120.67 -1.269 . . . . 0.0 112.979 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.62 -38.03 89.59 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.263 0.483 . . . . 0.0 110.407 172.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.18 -35.45 77.18 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 171.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -60.77 -59.32 5.57 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.666 0.666 . . . . 0.0 110.876 168.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -76.29 -23.98 54.4 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -166.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -130.7 23.72 5.04 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.808 1.243 . . . . 0.0 113.253 -172.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -38.63 -37.1 0.51 Allowed Glycine 0 N--CA 1.48 1.623 0 N-CA-C 117.697 1.839 . . . . 0.0 117.697 -173.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -63.24 -46.64 85.99 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.294 1.438 . . . . 0.0 112.816 175.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -85.6 -23.89 27.39 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.104 1.762 . . . . 0.0 111.435 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -73.68 45.62 0.19 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.4 2.28 . . . . 0.0 112.63 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 3.8 t -52.55 150.51 9.08 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 124.649 1.18 . . . . 0.0 110.947 167.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . 0.276 13.4 Cg_exo -32.59 -49.49 0.36 Allowed 'Trans proline' 0 CA--C 1.549 1.229 0 C-N-CA 124.715 3.61 . . . . 0.0 118.06 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 125' ' ' PRO . . . . . 0.453 ' HA ' HD11 ' C' ' 34' ' ' LEU . 23.7 Cg_exo -65.81 -24.67 53.95 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.823 2.349 . . . . 0.0 116.371 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 1.6 t -59.66 -42.07 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.491 1.041 . . . . 0.0 111.704 178.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.1 -44.21 96.33 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 118.082 -0.961 . . . . 0.0 111.459 175.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.17 91.61 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.45 1.023 . . . . 0.0 111.617 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -56.28 -55.52 32.26 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.351 0.661 . . . . 0.0 112.469 173.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -57.87 -47.53 82.48 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 121.509 -0.745 . . . . 0.0 111.348 175.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -54.01 -34.88 61.08 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 117.459 -1.258 . . . . 0.0 113.002 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -75.42 -46.08 34.92 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 120.195 1.361 . . . . 0.0 113.357 173.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 1.3 p -62.1 -39.4 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 CA-C-N 120.906 1.685 . . . . 0.0 111.389 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 55.8 t -64.61 -39.51 85.87 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 C-N-CA 126.567 1.947 . . . . 0.0 111.375 174.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.46 96.21 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.7 1.136 . . . . 0.0 111.681 172.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.67 -48.69 75.45 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 174.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 2.0 t -62.33 -42.17 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 173.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.58 81.16 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 120.126 1.33 . . . . 0.0 111.27 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -64.38 -33.03 74.92 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 172.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.82 -51.89 66.42 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 119.515 1.052 . . . . 0.0 111.636 172.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.2 -24.81 64.08 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.458 -0.776 . . . . 0.0 111.387 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 142' ' ' ALA . . . . . 0.474 ' HA ' ' CE1' ' D' ' 145' ' ' TYR . . . -86.1 -1.05 57.03 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 169.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -59.96 -47.46 85.71 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 119.874 -1.766 . . . . 0.0 112.387 -176.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -57.91 -5.31 0.41 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 145' ' ' TYR . . . . . 0.474 ' CE1' ' HA ' ' D' ' 142' ' ' ALA . 1.4 m-85 -71.92 -7.28 47.63 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.774 1.23 . . . . 0.0 111.789 178.161 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 C--O 1.256 1.416 0 C-N-CA 125.683 1.593 . . . . 0.0 114.624 169.57 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.506 HMB1 HBB2 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 201' ' ' HEC . . . . . 0.403 ' HHC' HBB3 ' B' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 201' ' ' HEC . . . . . 0.527 HMB1 HBB2 ' C' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 201' ' ' HEC . . . . . 0.406 HBB3 ' HHC' ' D' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.253 5.1 p . . . . . 0 N--CA 1.515 2.796 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.3 mt -137.09 172.71 12.6 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.66 1.584 . . . . 0.0 111.012 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.81 170.14 6.97 Favored Pre-proline 0 N--CA 1.475 0.811 0 C-N-CA 125.857 1.663 . . . . 0.0 110.682 -176.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -78.79 -40.8 0.27 Allowed 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.624 2.216 . . . . 0.0 112.931 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.1 -30.18 69.29 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -177.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.62 -43.47 98.79 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 118.801 0.728 . . . . 0.0 110.816 174.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -54.94 -49.75 70.59 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.934 0.894 . . . . 0.0 111.043 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.8 m -57.82 -44.28 86.32 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.806 0.842 . . . . 0.0 111.611 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -68.79 -35.37 76.95 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 177.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.0 t -65.9 -50.13 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 119.162 0.892 . . . . 0.0 110.992 172.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -58.64 -44.2 89.97 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.205 0.911 . . . . 0.0 111.334 176.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.12 -51.4 69.46 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.401 0.68 . . . . 0.0 111.825 175.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.06 -54.12 45.96 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.706 0.685 . . . . 0.0 112.254 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -61.92 -27.67 68.99 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.878 0.871 . . . . 0.0 112.916 -177.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.43 -36.89 93.98 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.218 0.913 . . . . 0.0 113.688 170.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -74.91 -35.0 62.22 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 118.438 1.119 . . . . 0.0 111.673 172.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.49 -51.03 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.144 0.978 . . . . 0.0 111.183 174.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.73 -133.79 9.24 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.274 0.94 . . . . 0.0 113.867 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.91 -22.25 47.65 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 178.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -70.73 -6.91 41.0 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 175.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.72 -43.28 57.88 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 120.772 -1.205 . . . . 0.0 112.67 176.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.44 -48.28 75.42 Favored Glycine 0 C--N 1.341 0.806 0 C-N-CA 123.461 0.553 . . . . 0.0 113.643 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -66.75 -35.3 79.79 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.05 0.925 . . . . 0.0 111.739 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -65.63 -35.75 81.71 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.265 0.938 . . . . 0.0 112.536 173.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.21 -46.59 70.33 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 119.43 1.013 . . . . 0.0 112.619 171.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.87 -49.73 74.59 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.934 0.894 . . . . 0.0 111.687 175.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -54.97 -48.84 72.71 Favored 'General case' 0 C--O 1.227 -0.107 0 C-N-CA 125.216 1.406 . . . . 0.0 111.898 170.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -62.53 -38.32 89.55 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.957 0.799 . . . . 0.0 112.852 -175.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.16 -51.51 66.13 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.283 1.033 . . . . 0.0 111.65 173.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -55.06 -53.24 58.39 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.639 -0.663 . . . . 0.0 111.698 173.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.6 mtt-85 -52.62 -40.43 62.74 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.74 1.216 . . . . 0.0 112.137 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.4 tmm? -59.9 -47.93 83.76 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.167 0.894 . . . . 0.0 112.058 173.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -61.64 -37.25 83.31 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.96 -35.45 14.69 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 178.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.5 m -71.16 -15.82 62.5 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.658 1.117 . . . . 0.0 113.197 176.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -142.43 79.37 15.61 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 125.201 1.4 . . . . 0.0 109.854 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -49.74 -27.83 16.19 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 123.946 3.097 . . . . 0.0 115.274 -178.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -32.71 9.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.013 1.725 . . . . 0.0 114.02 171.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -18.12 59.38 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 178.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -60.82 -27.4 68.03 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 120.409 1.459 . . . . 0.0 114.205 -176.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.7 t -57.51 -28.98 63.94 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 173.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -32.83 74.39 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-O 117.934 -1.031 . . . . 0.0 113.623 -175.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.3 t80 5.13 77.53 0.05 OUTLIER Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 128.869 2.868 . . . . 0.0 114.599 172.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -64.0 -57.06 0.38 Allowed 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 122.177 1.918 . . . . 0.0 111.846 -172.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -169.24 9.8 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 126.494 1.918 . . . . 0.0 113.567 174.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.12 140.74 41.95 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.758 -1.214 . . . . 0.0 112.996 -167.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.0 -42.21 76.77 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.2 mt 46.84 26.73 0.6 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.057 1.743 . . . . 0.0 114.652 -172.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.3 m -74.78 28.32 0.09 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.004 2.122 . . . . 0.0 115.19 -175.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 74.3 t60 62.14 136.37 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 127.93 2.492 . . . . 0.0 113.923 -166.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.82 16.78 64.26 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 124.052 0.834 . . . . 0.0 114.88 -177.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.7 m -55.54 112.01 1.03 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.97 2.108 . . . . 0.0 114.208 -170.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.83 -36.23 64.78 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -176.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -64.34 -35.64 81.54 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.552 -0.717 . . . . 0.0 112.644 175.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.09 -35.91 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 O-C-N 121.541 -0.725 . . . . 0.0 110.959 174.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -63.04 -49.05 76.1 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 119.152 0.887 . . . . 0.0 111.559 172.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.31 -52.7 47.58 Favored Glycine 0 N--CA 1.471 0.971 0 C-N-CA 124.35 0.976 . . . . 0.0 112.753 177.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -55.73 -43.77 76.88 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 117.95 0.875 . . . . 0.0 111.33 172.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.04 -50.61 54.51 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 124.401 1.001 . . . . 0.0 113.782 171.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -57.12 -41.36 78.88 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 119.187 1.493 . . . . 0.0 112.668 172.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.45 ' HB3' HMA3 ' A' ' 201' ' ' HEC . 26.5 mmtp -69.35 -45.05 70.35 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.988 0.813 . . . . 0.0 111.398 -178.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.9 t -53.86 -47.96 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.27 1.028 . . . . 0.0 110.567 168.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.95 -46.77 87.84 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.6 -42.57 99.65 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.017 0.927 . . . . 0.0 111.331 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.15 -40.18 80.69 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.756 0.823 . . . . 0.0 112.771 169.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.24 -44.1 84.69 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.574 -0.703 . . . . 0.0 111.604 173.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 66.4 m -57.79 -41.88 83.01 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.937 1.244 . . . . 0.0 112.025 172.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -58.26 -46.39 86.1 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.866 0.866 . . . . 0.0 111.404 170.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.7 -44.94 86.22 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.581 -0.699 . . . . 0.0 112.787 172.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -61.42 -45.13 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-N 120.059 1.3 . . . . 0.0 111.74 175.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.82 -23.99 66.8 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.978 1.311 . . . . 0.0 113.974 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -131.89 31.84 4.15 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.126 1.37 . . . . 0.0 111.679 -173.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.9 -18.8 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -164.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -102.75 -1.78 29.31 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.781 1.232 . . . . 0.0 114.056 173.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -127.75 -3.19 5.95 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.297 2.239 . . . . 0.0 113.084 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.414 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 22.5 ptt? -61.96 -19.05 0.49 Allowed Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 118.266 2.691 . . . . 0.0 118.266 -178.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -43.2 -24.4 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 124.523 3.482 . . . . 0.0 117.997 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -118.22 -22.29 7.79 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 167.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 76' ' ' MET . . . -63.44 -18.39 63.7 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 178.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.4 mt -101.44 3.99 40.9 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.213 1.005 . . . . 0.0 113.29 172.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.1 t -56.82 -36.57 70.1 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 120.101 1.318 . . . . 0.0 114.512 -169.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.68 -34.07 72.4 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.11 -0.994 . . . . 0.0 112.555 173.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.5 mt -76.57 -41.06 47.75 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.125 0.97 . . . . 0.0 110.575 174.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.2 m -59.14 -40.48 85.59 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.017 0.527 . . . . 0.0 112.109 175.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -60.99 -50.0 75.17 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.178 0.991 . . . . 0.0 112.234 172.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tp -49.45 -56.18 10.6 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.818 0.847 . . . . 0.0 110.929 171.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -69.79 -41.63 74.82 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.407 -0.808 . . . . 0.0 112.641 -174.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.29 -13.92 58.81 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -124.67 -47.75 1.82 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.692 1.133 . . . . 0.0 113.576 -172.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -65.39 -44.52 87.23 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.461 1.028 . . . . 0.0 113.277 -171.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 mp -130.5 1.84 4.55 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.761 1.224 . . . . 0.0 113.431 172.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.43 46.91 10.82 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 126.222 1.809 . . . . 0.0 112.829 -171.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.9 t -48.86 124.19 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 127.585 2.354 . . . . 0.0 111.414 -177.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -71.05 119.11 71.43 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 126.996 2.119 . . . . 0.0 112.797 -177.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -45.92 -32.61 9.69 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 124.868 3.712 . . . . 0.0 116.342 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.5 p -50.79 -38.88 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 O-C-N 120.779 -1.2 . . . . 0.0 112.898 172.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.427 ' HB3' HMC1 ' A' ' 201' ' ' HEC . 4.5 m-20 -61.15 -37.53 83.19 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.651 1.114 . . . . 0.0 111.859 178.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -43.09 88.03 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-O 119.215 -0.422 . . . . 0.0 109.993 173.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -55.3 -41.42 72.33 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.465 0.706 . . . . 0.0 110.198 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.01 -58.7 7.31 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.531 1.132 . . . . 0.0 110.623 177.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.425 HD11 HBB3 ' A' ' 201' ' ' HEC . 0.2 OUTLIER -65.15 -29.72 70.58 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.557 -0.714 . . . . 0.0 112.107 -178.737 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.4 t -60.75 -51.12 70.68 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.595 1.558 . . . . 0.0 112.345 173.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -57.55 -41.87 81.84 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.686 -0.634 . . . . 0.0 110.99 171.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 84.3 m -67.34 -34.9 78.3 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.0 mt -62.62 -51.35 67.64 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.806 1.242 . . . . 0.0 110.284 170.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.7 mt -51.19 -45.32 61.78 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.238 0.615 . . . . 0.0 112.018 172.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.1 t -55.66 -48.0 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.57 0.748 . . . . 0.0 112.948 171.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -36.16 83.06 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 120.343 1.428 . . . . 0.0 113.563 176.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.66 -46.91 83.47 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 120.136 1.335 . . . . 0.0 110.107 172.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.59 -38.95 56.84 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.437 1.095 . . . . 0.0 113.482 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.53 -12.09 60.38 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 -177.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -127.49 -26.97 2.94 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -171.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.56 178.93 2.13 Favored Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 124.497 1.119 . . . . 0.0 110.513 170.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -54.68 -147.1 0.0 OUTLIER 'Trans proline' 0 CA--C 1.55 1.302 1 C-N-CA 125.554 4.169 . . . . 0.0 115.188 164.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.1 50.67 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.505 1.922 . . . . 0.0 114.335 170.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -46.57 -34.54 5.01 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 128.665 2.786 . . . . 0.0 115.071 -164.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -73.27 48.94 0.25 Allowed 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.714 0.769 . . . . 0.0 111.98 165.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.48 164.53 37.34 Favored Pre-proline 0 N--CA 1.48 1.067 0 O-C-N 120.642 -1.287 . . . . 0.0 108.985 171.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -57.47 -54.29 3.63 Favored 'Trans proline' 0 C--N 1.346 0.432 0 CA-C-N 120.846 1.338 . . . . 0.0 112.115 172.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.45 -28.57 64.06 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 -175.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.2 t -88.17 -43.7 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 118.44 -0.79 . . . . 0.0 111.039 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -65.39 -53.58 41.15 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.05 1.295 . . . . 0.0 111.356 175.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.56 -1.02 5.82 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.4 t -93.54 -61.59 1.53 Allowed 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.912 0.885 . . . . 0.0 110.074 164.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.12 -37.91 84.49 Favored 'General case' 0 C--N 1.335 -0.057 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -171.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.48 -51.19 70.93 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 119.809 1.186 . . . . 0.0 111.363 177.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 -28.46 51.4 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.843 0.857 . . . . 0.0 113.225 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -60.77 -56.84 16.38 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 119.615 1.098 . . . . 0.0 110.21 168.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.88 -37.67 85.45 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.81 0.732 . . . . 0.0 111.465 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.06 -44.91 83.51 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.726 1.148 . . . . 0.0 112.317 170.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 34.9 t -62.71 -42.57 99.71 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.311 0.96 . . . . 0.0 113.282 171.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 95.2 t -51.99 -49.81 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-O 118.186 -0.911 . . . . 0.0 109.567 171.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.2 t -58.56 -54.97 40.99 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 118.37 -0.824 . . . . 0.0 113.011 174.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 95.5 m -49.19 -35.74 17.88 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.91 1.232 . . . . 0.0 112.588 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 50.8 t -75.06 -50.66 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.319 1.047 . . . . 0.0 112.246 172.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.51 -10.34 7.68 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.094 1.758 . . . . 0.0 114.451 175.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 38.0 p -119.44 2.07 11.24 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 127.076 2.151 . . . . 0.0 111.444 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.9 t -62.99 172.3 1.82 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.203 1.401 . . . . 0.0 112.746 170.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 33.9 pttt -150.47 -158.42 0.91 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.412 2.285 . . . . 0.0 110.416 -164.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -46.55 108.69 0.15 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.411 1.484 . . . . 0.0 111.685 169.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? . . . . . 0 C--O 1.252 1.216 0 C-N-CA 125.016 1.326 . . . . 0.0 113.068 -172.48 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.303 2.4 p . . . . . 0 N--CA 1.506 2.351 0 CA-C-O 116.966 -1.492 . . . . 0.0 112.692 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 71.5 t60 22.82 77.07 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 127.677 2.391 . . . . 0.0 116.081 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.23 161.25 19.71 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.664 0.786 . . . . 0.0 110.794 176.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.5 p -67.47 157.76 84.64 Favored Pre-proline 0 N--CA 1.481 1.114 0 O-C-N 121.431 -0.793 . . . . 0.0 109.849 158.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -53.65 -38.9 84.68 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 122.466 2.111 . . . . 0.0 113.409 171.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -70.67 -43.03 69.95 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.609 1.164 . . . . 0.0 111.853 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -61.09 -42.95 99.45 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.459 -0.776 . . . . 0.0 111.49 170.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -60.13 -48.26 82.45 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.789 0.722 . . . . 0.0 110.962 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 51.3 m -55.23 -42.17 73.03 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 118.65 -0.69 . . . . 0.0 111.801 174.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.75 -56.25 24.66 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.263 0.938 . . . . 0.0 112.468 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.53 -52.97 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 119.543 1.065 . . . . 0.0 111.738 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.2 m -71.29 -34.06 70.3 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.156 0.889 . . . . 0.0 112.408 -170.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.56 77.59 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 120.113 1.324 . . . . 0.0 112.185 173.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -67.9 -42.42 81.17 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.402 -0.811 . . . . 0.0 110.532 172.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -51.27 -44.21 61.74 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.384 -0.822 . . . . 0.0 111.137 168.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.95 -12.45 15.14 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 127.077 2.275 . . . . 0.0 116.915 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.37 -2.13 7.5 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.492 1.646 . . . . 0.0 114.288 165.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.22 139.84 17.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 123.903 0.881 . . . . 0.0 111.862 -178.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -84.7 77.72 10.0 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.71 0.804 . . . . 0.0 109.523 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 62.8 t -48.51 -36.21 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 C-N-CA 124.573 1.149 . . . . 0.0 113.631 -170.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -83.61 -10.78 58.01 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.476 1.91 . . . . 0.0 115.914 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -114.11 -52.49 2.73 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.752 1.221 . . . . 0.0 110.42 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -32.32 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 121.216 -0.927 . . . . 0.0 111.904 172.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.96 -45.36 20.96 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 119.323 0.965 . . . . 0.0 112.01 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.69 -43.22 96.46 Favored Glycine 0 N--CA 1.469 0.888 0 CA-C-N 117.683 0.741 . . . . 0.0 112.188 172.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.0 -35.06 69.34 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 117.384 -1.293 . . . . 0.0 112.199 174.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.69 79.47 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 122.093 2.224 . . . . 0.0 111.309 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 tp -72.05 -44.26 63.62 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 122.345 -0.222 . . . . 0.0 111.198 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.54 -49.27 78.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 120.56 -1.337 . . . . 0.0 114.062 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -30.93 61.8 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 125.555 1.542 . . . . 0.0 112.142 175.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tt -78.12 -39.94 39.68 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.261 1.424 . . . . 0.0 112.852 172.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 53.9 mt -70.41 -34.15 72.18 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.728 -1.233 . . . . 0.0 110.72 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 22.6 m -75.96 -6.89 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.17 -4.79 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-N 121.17 1.804 . . . . 0.0 111.855 169.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 49.85 37.71 0.44 Allowed Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 125.652 1.581 . . . . 0.0 113.956 -166.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -81.92 178.04 6.82 Favored 'Trans proline' 0 C--N 1.359 1.079 0 C-N-CA 122.081 1.854 . . . . 0.0 110.271 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -40.22 -35.64 0.43 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 116.098 1.888 . . . . 0.0 116.098 176.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.427 HG22 ' CG ' ' B' ' 102' ' ' ASN . 24.2 p -54.69 -25.07 24.87 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.689 1.596 . . . . 0.0 114.411 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -46.56 -25.99 0.8 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.407 2.283 . . . . 0.0 114.91 173.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -50.95 -30.49 15.04 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -86.59 7.55 25.84 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -45.98 -39.79 9.49 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.89 1.676 . . . . 0.0 113.529 170.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.74 -22.33 57.49 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 16.7 t -97.31 -44.88 6.71 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.136 0.974 . . . . 0.0 112.181 173.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -61.76 -37.33 83.88 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.21 -106.18 2.96 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.56 1.076 . . . . 0.0 112.802 174.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.25 84.48 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.441 1.497 . . . . 0.0 112.655 177.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 tt -137.32 -19.03 1.26 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.964 1.706 . . . . 0.0 113.439 -174.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.7 t -54.93 -23.9 21.18 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.061 1.345 . . . . 0.0 114.37 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 32.4 p -124.95 154.51 71.13 Favored Pre-proline 0 N--CA 1.474 0.735 0 C-N-CA 124.507 1.123 . . . . 0.0 111.299 167.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -55.88 -42.73 64.09 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.099 2.532 . . . . 0.0 114.004 173.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.04 -37.56 83.05 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.445 0.698 . . . . 0.0 111.801 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.37 -54.72 36.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.589 0.356 . . . . 0.0 111.072 170.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -37.35 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -171.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -71.34 -27.08 63.13 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.457 1.026 . . . . 0.0 113.61 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.6 -1.13 59.02 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 124.388 0.994 . . . . 0.0 114.684 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -74.39 130.38 82.26 Favored Pre-proline 0 CA--C 1.555 1.135 0 C-N-CA 125.342 1.457 . . . . 0.0 112.887 -170.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -67.93 -37.3 15.7 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 123.787 2.991 . . . . 0.0 113.659 -177.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -66.11 -45.56 80.73 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 121.212 -0.93 . . . . 0.0 110.777 174.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 83.6 t -62.03 -46.45 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.724 0.81 . . . . 0.0 111.557 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -66.05 -38.43 88.34 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 119.614 1.097 . . . . 0.0 113.043 176.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.7 -45.25 90.9 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.399 1.0 . . . . 0.0 112.793 173.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -61.85 -35.91 79.66 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.236 -0.915 . . . . 0.0 111.08 173.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.68 -50.37 63.77 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.385 1.469 . . . . 0.0 114.066 166.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -58.61 -42.34 87.97 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.675 1.238 . . . . 0.0 111.508 173.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -63.19 -53.85 46.74 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.971 0.908 . . . . 0.0 112.593 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.435 HG12 ' NB ' ' B' ' 201' ' ' HEC . 18.3 m -57.74 -44.9 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 CA-C-N 119.394 0.997 . . . . 0.0 111.181 177.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 tt -71.94 -35.66 69.67 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.476 -0.765 . . . . 0.0 112.242 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.61 -42.04 93.95 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.333 0.968 . . . . 0.0 112.303 170.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.32 85.02 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.854 -0.792 . . . . 0.0 113.064 171.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -60.57 -35.59 76.44 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.514 -1.366 . . . . 0.0 111.331 170.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -41.42 87.61 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.448 1.099 . . . . 0.0 113.219 171.17 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -57.45 -32.53 67.01 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.453 1.024 . . . . 0.0 111.86 170.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.22 -63.6 4.76 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 123.725 0.679 . . . . 0.0 111.68 166.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.61 -35.15 40.56 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.41 -28.45 62.0 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 176.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.8 49.18 1.49 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.082 1.753 . . . . 0.0 111.424 -169.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.33 -21.54 62.17 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.753 -1.217 . . . . 0.0 113.912 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.18 -19.65 65.47 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 174.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -97.8 -65.84 0.94 Allowed 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 118.981 0.809 . . . . 0.0 112.662 -175.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 46.15 18.12 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 116.969 2.211 . . . . 0.0 116.969 -173.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -138.21 -66.09 0.5 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.269 1.428 . . . . 0.0 111.299 176.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.37 -35.02 77.1 Favored Glycine 0 N--CA 1.479 1.551 0 CA-C-N 118.882 0.764 . . . . 0.0 113.892 177.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.3 p -67.91 -13.82 62.47 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.327 1.851 . . . . 0.0 114.853 173.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -128.9 -4.33 5.13 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.526 1.53 . . . . 0.0 113.931 -174.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.99 -40.9 70.56 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 120.169 1.35 . . . . 0.0 113.414 -173.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 25.0 p -64.55 -36.59 84.72 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.754 1.221 . . . . 0.0 113.017 173.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 71.4 mt -77.17 -37.16 54.32 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.325 1.05 . . . . 0.0 112.04 176.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 4.3 t -61.27 -44.67 96.85 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.521 1.128 . . . . 0.0 110.304 171.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.85 -49.27 78.37 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.244 -0.91 . . . . 0.0 112.343 170.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 49.4 tp -55.64 -53.92 50.55 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.477 1.035 . . . . 0.0 112.116 177.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -82.53 -19.95 37.62 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -170.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 49.5 t -90.68 -64.54 1.12 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.732 0.813 . . . . 0.0 112.074 169.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -75.99 -40.49 53.6 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.49 -1.381 . . . . 0.0 113.223 -169.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.4 -41.49 21.85 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 56.4 mt -114.63 -24.19 8.88 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -171.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 34.11 46.95 0.17 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.792 2.437 . . . . 0.0 114.915 -169.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.58 150.37 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 120.879 -1.138 . . . . 0.0 110.612 -178.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -64.51 141.34 98.21 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 123.614 0.765 . . . . 0.0 112.75 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.65 -28.92 44.11 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.698 2.266 . . . . 0.0 114.108 -171.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -67.35 -27.45 67.14 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.847 -1.158 . . . . 0.0 112.656 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ASN . . . . . 0.427 ' CG ' HG22 ' B' ' 38' ' ' THR . 0.2 OUTLIER -55.53 -49.99 71.18 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.169 1.387 . . . . 0.0 112.475 173.028 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -59.29 -46.31 88.89 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.657 1.183 . . . . 0.0 111.384 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -60.54 -44.93 95.55 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.746 0.818 . . . . 0.0 111.698 176.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.35 -46.2 91.22 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 118.567 -0.73 . . . . 0.0 112.007 175.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.99 -41.17 77.92 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.682 1.128 . . . . 0.0 109.82 176.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 107' ' ' GLY . . . . . 0.473 ' CA ' HG11 ' B' ' 134' ' ' VAL . . . -57.45 -55.44 30.44 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 115.029 0.771 . . . . 0.0 115.029 174.035 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.59 -40.34 94.43 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 118.239 1.02 . . . . 0.0 111.12 177.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 98.0 t -66.72 -36.22 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 O-C-N 121.122 -0.986 . . . . 0.0 111.746 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 14.1 tp -54.45 -55.28 30.45 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.726 1.148 . . . . 0.0 110.602 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.62 -30.08 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.043 0.838 . . . . 0.0 112.873 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 78.3 m -70.76 -46.93 62.05 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 174.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 13.7 p -65.16 -36.53 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 120.012 1.278 . . . . 0.0 111.653 174.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 68.5 mt -58.76 -47.43 84.7 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.506 1.048 . . . . 0.0 110.815 171.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.5 -34.99 77.97 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 175.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -65.49 -59.1 4.35 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.769 1.168 . . . . 0.0 112.005 169.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -65.39 -21.99 66.74 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -168.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -131.27 43.55 3.07 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.152 1.781 . . . . 0.0 111.228 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.3 -32.54 37.16 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.075 1.322 . . . . 0.0 116.202 -176.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -71.32 -8.83 56.32 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 118.783 1.291 . . . . 0.0 114.34 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -130.45 5.13 4.74 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.102 1.761 . . . . 0.0 113.193 -170.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.46 33.47 0.05 Allowed 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 -169.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 17.6 p -43.65 148.51 0.71 Allowed Pre-proline 0 N--CA 1.486 1.344 0 C-N-CA 125.139 1.376 . . . . 0.0 113.983 -167.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -45.66 -48.16 12.53 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 121.911 1.741 . . . . 0.0 114.426 174.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.07 -30.31 56.21 Favored 'Trans proline' 0 C--N 1.353 0.801 0 CA-C-O 116.9 -1.375 . . . . 0.0 114.043 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -40.21 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 122.683 2.492 . . . . 0.0 112.589 177.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -60.59 -54.23 47.95 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.948 0.499 . . . . 0.0 110.052 172.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.1 -36.8 82.8 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -177.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.42 -53.28 45.37 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.552 1.141 . . . . 0.0 111.528 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -56.07 -47.55 77.75 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 118.962 -0.542 . . . . 0.0 111.154 169.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -56.48 -40.31 74.69 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.78 0.718 . . . . 0.0 112.706 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -71.41 -33.1 69.14 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 120.014 1.279 . . . . 0.0 113.773 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 62.4 t -63.69 -50.87 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 CA-C-N 119.686 1.13 . . . . 0.0 109.664 168.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.473 HG11 ' CA ' ' B' ' 107' ' ' GLY . 12.0 t -61.86 -44.05 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 125.949 1.7 . . . . 0.0 112.725 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.03 97.27 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.398 0.999 . . . . 0.0 111.789 175.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.13 -44.99 88.57 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 123.319 0.485 . . . . 0.0 112.577 168.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.59 -44.18 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.731 1.212 . . . . 0.0 113.323 175.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.69 93.69 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.2 0.909 . . . . 0.0 110.679 176.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -61.35 -40.19 93.38 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.418 0.687 . . . . 0.0 112.105 174.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.63 -45.12 91.7 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.217 1.007 . . . . 0.0 112.606 173.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.77 -24.43 63.51 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.605 -1.309 . . . . 0.0 112.332 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.63 -11.79 59.91 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 167.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -57.15 -43.7 82.75 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.162 -1.586 . . . . 0.0 113.474 -173.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -65.34 -7.84 15.44 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 176.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -67.62 -18.15 64.87 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 120.343 1.429 . . . . 0.0 112.256 175.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 33.9 m80 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.427 1.491 . . . . 0.0 113.126 -162.568 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.258 5.0 p . . . . . 0 N--CA 1.514 2.768 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 45.5 mt -137.13 172.61 12.75 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.716 1.606 . . . . 0.0 111.077 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.81 170.25 6.82 Favored Pre-proline 0 N--CA 1.475 0.787 0 C-N-CA 125.81 1.644 . . . . 0.0 110.654 -176.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -78.95 -40.77 0.26 Allowed 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 122.525 2.15 . . . . 0.0 112.837 176.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.09 -30.4 69.57 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -177.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -43.69 98.4 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.869 0.759 . . . . 0.0 110.743 174.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -54.72 -49.57 70.43 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.798 0.839 . . . . 0.0 111.137 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 64.5 m -58.06 -43.86 87.14 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.614 0.766 . . . . 0.0 111.538 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -69.11 -35.03 76.0 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.72 -0.613 . . . . 0.0 112.646 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.26 -49.96 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 119.055 0.843 . . . . 0.0 110.997 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -58.77 -44.13 90.57 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.059 0.845 . . . . 0.0 111.351 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.24 -51.43 69.39 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.267 0.627 . . . . 0.0 111.862 175.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.02 -53.93 48.61 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.796 0.726 . . . . 0.0 112.346 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -62.25 -27.46 69.02 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.663 0.785 . . . . 0.0 112.861 -177.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.39 -36.89 93.99 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.186 0.898 . . . . 0.0 113.708 170.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -74.92 -35.09 62.2 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 118.354 1.077 . . . . 0.0 111.74 172.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.29 -50.88 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.957 0.903 . . . . 0.0 111.183 174.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.67 -133.87 9.06 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.223 0.916 . . . . 0.0 113.946 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.85 -22.19 46.66 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -70.7 -7.24 43.2 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 175.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.49 -43.4 55.55 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.813 -1.179 . . . . 0.0 112.716 176.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.29 -48.34 75.44 Favored Glycine 0 C--N 1.341 0.81 0 C-N-CA 123.436 0.541 . . . . 0.0 113.594 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -66.76 -35.22 79.6 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.149 0.975 . . . . 0.0 111.814 177.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -65.84 -35.62 81.16 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.212 0.914 . . . . 0.0 112.538 173.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.1 -46.78 69.26 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-N 119.27 0.941 . . . . 0.0 112.54 171.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.56 75.17 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.894 0.878 . . . . 0.0 111.578 175.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -55.02 -48.85 72.82 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 125.33 1.452 . . . . 0.0 111.976 170.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.417 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -62.76 -37.98 88.76 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.784 0.72 . . . . 0.0 112.772 -175.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.36 -51.54 65.46 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.352 1.061 . . . . 0.0 111.661 173.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -54.97 -53.27 57.82 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.635 -0.666 . . . . 0.0 111.597 173.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 78.4 mtt-85 -52.4 -40.42 62.08 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.716 1.206 . . . . 0.0 112.295 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 7.4 tmm? -60.27 -47.54 85.56 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.967 0.803 . . . . 0.0 112.004 173.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -61.94 -37.71 85.73 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.348 0.977 . . . . 0.0 113.575 -177.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.27 -35.5 15.26 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 178.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 63.3 m -71.1 -15.98 62.55 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.821 1.192 . . . . 0.0 113.181 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -142.32 79.45 15.74 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 125.171 1.389 . . . . 0.0 109.737 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -49.69 -28.02 16.37 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 123.958 3.105 . . . . 0.0 115.273 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.89 -32.09 8.34 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.947 1.699 . . . . 0.0 114.131 171.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.56 -18.11 58.85 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 177.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -60.71 -27.67 68.07 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 120.485 1.493 . . . . 0.0 114.202 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 13.9 t -57.31 -28.95 63.52 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 173.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -32.9 74.47 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -175.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 14.4 t80 5.22 77.55 0.05 OUTLIER Pre-proline 0 N--CA 1.48 1.031 0 C-N-CA 128.732 2.813 . . . . 0.0 114.548 172.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -64.15 -56.91 0.39 Allowed 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.109 1.872 . . . . 0.0 111.867 -172.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -169.36 10.06 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 126.548 1.939 . . . . 0.0 113.597 173.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.29 140.87 41.73 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 120.771 -1.205 . . . . 0.0 112.997 -167.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.14 -42.28 76.19 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 mt 47.07 26.45 0.63 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 126.035 1.734 . . . . 0.0 114.603 -172.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 62.2 m -74.45 28.14 0.08 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.162 2.185 . . . . 0.0 115.26 -175.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 74.4 t60 62.13 136.31 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.984 2.513 . . . . 0.0 113.949 -166.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.78 16.92 64.36 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.113 0.864 . . . . 0.0 114.907 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 48.8 m -55.48 112.04 1.03 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.884 2.074 . . . . 0.0 114.264 -170.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.69 -36.44 64.66 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -176.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.17 -35.78 81.9 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.511 -0.743 . . . . 0.0 112.753 175.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.97 -35.95 66.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 O-C-N 121.469 -0.769 . . . . 0.0 110.94 174.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -63.14 -48.97 76.21 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 119.236 0.925 . . . . 0.0 111.586 172.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.25 -52.64 48.14 Favored Glycine 0 N--CA 1.472 1.06 0 C-N-CA 124.232 0.92 . . . . 0.0 112.796 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -55.91 -43.56 77.43 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 117.828 0.814 . . . . 0.0 111.472 172.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.12 -50.53 55.14 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 124.353 0.978 . . . . 0.0 113.798 171.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -57.05 -41.5 78.8 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.146 1.473 . . . . 0.0 112.753 171.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 61' ' ' LYS . . . . . 0.434 ' HB3' HMA3 ' C' ' 201' ' ' HEC . 26.5 mmtp -69.31 -44.92 70.77 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.805 0.729 . . . . 0.0 111.501 -178.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 78.6 t -53.95 -48.0 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.309 1.043 . . . . 0.0 110.449 168.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.89 -46.73 88.13 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.71 -42.71 99.79 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.126 0.97 . . . . 0.0 111.363 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.01 -40.38 80.64 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.744 0.817 . . . . 0.0 112.893 169.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -44.14 85.34 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.55 -0.719 . . . . 0.0 111.7 172.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 65.4 m -57.6 -41.91 82.16 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.072 1.305 . . . . 0.0 112.013 172.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -58.32 -46.33 86.38 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.878 0.871 . . . . 0.0 111.444 170.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.65 -45.04 86.0 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 118.585 -0.722 . . . . 0.0 112.742 172.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 79.8 t -61.4 -45.09 99.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 120.104 1.32 . . . . 0.0 111.63 175.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.9 -23.91 66.74 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.003 1.321 . . . . 0.0 113.992 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -132.16 32.07 4.04 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.176 1.39 . . . . 0.0 111.671 -173.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.06 -18.83 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -164.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -102.52 -1.99 29.44 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.712 1.205 . . . . 0.0 114.019 173.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -127.74 -3.17 5.96 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 127.39 2.276 . . . . 0.0 113.096 -176.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 76' ' ' MET . . . . . 0.411 ' HA ' ' HB3' ' C' ' 79' ' ' ALA . 22.5 ptt? -62.17 -18.97 0.48 Allowed Pre-proline 0 CA--C 1.545 0.78 0 N-CA-C 118.323 2.712 . . . . 0.0 118.323 -178.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -43.22 -24.3 0.51 Allowed 'Trans proline' 0 C--N 1.362 1.286 0 C-N-CA 124.395 3.397 . . . . 0.0 118.063 174.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -118.32 -22.11 7.81 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 167.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 79' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' C' ' 76' ' ' MET . . . -63.52 -18.73 64.13 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 120.497 1.499 . . . . 0.0 114.925 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 54.1 mt -101.23 3.94 41.39 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.212 1.005 . . . . 0.0 113.204 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 31.4 t -56.85 -36.56 70.16 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 120.193 1.36 . . . . 0.0 114.523 -169.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.7 -34.03 72.36 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.072 -1.018 . . . . 0.0 112.547 173.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 9.5 mt -76.56 -41.28 47.07 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.027 0.931 . . . . 0.0 110.518 174.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 5.2 m -58.91 -40.5 84.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.403 0.547 . . . . 0.0 112.156 175.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.01 -50.46 73.3 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.139 0.976 . . . . 0.0 112.071 172.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tp -49.02 -56.34 9.26 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.751 0.82 . . . . 0.0 111.02 171.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -69.23 -42.99 74.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 118.406 -0.807 . . . . 0.0 112.437 -174.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.19 -14.12 59.27 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -124.51 -47.69 1.84 Allowed 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.633 1.106 . . . . 0.0 113.691 -172.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -65.44 -44.46 87.25 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-N 119.442 1.019 . . . . 0.0 113.141 -171.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 mp -130.52 1.68 4.53 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.723 1.209 . . . . 0.0 113.459 172.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.88 47.07 12.31 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 126.272 1.829 . . . . 0.0 112.776 -171.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 60.8 t -49.33 123.99 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 127.573 2.349 . . . . 0.0 111.376 -176.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -70.94 119.18 71.68 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 126.927 2.091 . . . . 0.0 112.672 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -46.23 -32.15 10.06 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 124.852 3.701 . . . . 0.0 116.412 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 8.8 p -51.21 -38.71 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 O-C-N 120.717 -1.239 . . . . 0.0 112.753 172.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 97' ' ' ASN . . . . . 0.433 ' HB3' HMC1 ' C' ' 201' ' ' HEC . 4.5 m-20 -61.17 -37.61 83.52 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.564 1.074 . . . . 0.0 111.598 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -43.17 87.71 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.128 172.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -55.02 -41.91 71.92 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.455 0.702 . . . . 0.0 110.348 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.48 -59.17 5.83 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.652 1.181 . . . . 0.0 110.764 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 101' ' ' LEU . . . . . 0.42 HD11 HBB3 ' C' ' 201' ' ' HEC . 0.2 OUTLIER -64.66 -30.16 71.17 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.557 -0.714 . . . . 0.0 112.221 -178.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 47.9 t -60.42 -51.23 70.36 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.43 1.492 . . . . 0.0 112.458 173.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -57.26 -42.14 81.01 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.713 -0.617 . . . . 0.0 111.065 171.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 104' ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 83.7 m -67.22 -34.83 78.3 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 178.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.87 -51.18 68.0 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.534 1.134 . . . . 0.0 110.077 170.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 5.7 mt -51.22 -44.82 61.75 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.373 0.669 . . . . 0.0 111.994 172.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.05 -48.3 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.718 0.807 . . . . 0.0 112.858 171.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.61 -36.29 83.31 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 120.171 1.35 . . . . 0.0 113.634 176.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.59 -47.14 82.69 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 120.076 1.307 . . . . 0.0 110.15 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.44 -39.06 56.64 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.326 1.05 . . . . 0.0 113.572 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.37 -11.85 60.36 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 116.512 2.041 . . . . 0.0 116.512 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -127.69 -27.05 2.88 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -171.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.67 179.17 2.03 Favored Pre-proline 0 CA--C 1.56 1.359 0 C-N-CA 124.348 1.059 . . . . 0.0 110.412 170.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -54.71 -147.23 0.0 OUTLIER 'Trans proline' 0 CA--C 1.551 1.335 1 C-N-CA 125.65 4.233 . . . . 0.0 115.14 164.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.01 50.58 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.488 1.915 . . . . 0.0 114.431 170.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -46.65 -34.49 5.09 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 128.676 2.79 . . . . 0.0 115.113 -164.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -73.43 48.91 0.26 Allowed 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 121.859 0.838 . . . . 0.0 112.012 165.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.1 164.54 34.94 Favored Pre-proline 0 N--CA 1.478 0.956 0 O-C-N 120.532 -1.355 . . . . 0.0 108.993 170.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -57.15 -55.08 2.84 Favored 'Trans proline' 0 C--N 1.346 0.435 0 CA-C-N 120.85 1.339 . . . . 0.0 112.049 172.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.74 -29.33 65.54 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -175.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 61.5 t -87.53 -43.26 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-O 118.448 -0.787 . . . . 0.0 111.021 -177.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -65.77 -53.35 41.65 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 120.089 1.313 . . . . 0.0 111.205 175.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.7 -1.67 7.49 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 16.3 t -92.85 -61.6 1.55 Allowed 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.975 0.91 . . . . 0.0 110.257 164.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.12 -37.95 84.61 Favored 'General case' 0 C--N 1.338 0.066 0 CA-C-O 117.866 -1.064 . . . . 0.0 113.85 -171.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.54 -51.21 70.82 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.955 1.252 . . . . 0.0 111.277 178.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -28.74 53.44 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -60.58 -57.19 13.78 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.44 1.018 . . . . 0.0 110.157 168.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.68 -38.0 86.18 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.87 0.759 . . . . 0.0 111.383 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.93 -44.48 82.53 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.736 1.153 . . . . 0.0 112.288 170.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 35.3 t -63.02 -42.4 99.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.165 0.893 . . . . 0.0 113.164 171.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 93.5 t -52.07 -49.98 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-O 118.345 -0.836 . . . . 0.0 109.559 171.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 33.3 t -58.52 -54.85 42.39 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-O 118.251 -0.881 . . . . 0.0 112.891 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 93.3 m -49.43 -35.49 19.4 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.784 1.175 . . . . 0.0 112.474 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 49.7 t -75.43 -50.38 24.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 124.219 1.007 . . . . 0.0 112.176 172.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -10.26 7.67 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.124 1.77 . . . . 0.0 114.601 175.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 38.6 p -119.55 2.23 11.2 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 127.002 2.121 . . . . 0.0 111.439 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 6.9 t -62.93 172.22 1.83 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.272 1.429 . . . . 0.0 112.71 170.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -150.34 -158.41 0.91 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.485 2.314 . . . . 0.0 110.569 -165.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -46.75 109.09 0.17 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.327 1.451 . . . . 0.0 111.651 169.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? . . . . . 0 C--O 1.253 1.273 0 C-N-CA 124.962 1.305 . . . . 0.0 113.157 -172.51 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.305 2.4 p . . . . . 0 N--CA 1.505 2.322 0 CA-C-O 116.924 -1.512 . . . . 0.0 112.773 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 71.3 t60 22.79 77.07 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 127.633 2.373 . . . . 0.0 116.095 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.22 161.37 19.44 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.452 0.701 . . . . 0.0 110.854 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 6.5 p -67.56 157.75 84.89 Favored Pre-proline 0 N--CA 1.481 1.08 0 O-C-N 121.444 -0.785 . . . . 0.0 109.832 158.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -53.66 -38.98 84.84 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.456 2.104 . . . . 0.0 113.38 172.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -70.56 -42.94 70.46 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.508 1.123 . . . . 0.0 112.002 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -61.07 -43.0 99.54 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.516 -0.74 . . . . 0.0 111.387 170.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -60.22 -48.33 82.17 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.955 0.798 . . . . 0.0 110.868 176.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 51.1 m -55.23 -42.16 73.02 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 118.743 -0.646 . . . . 0.0 111.826 174.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.53 -56.58 20.33 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.16 0.891 . . . . 0.0 112.396 174.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.53 -52.96 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-N 119.5 1.045 . . . . 0.0 111.887 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -71.12 -34.2 70.83 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 119.117 0.872 . . . . 0.0 112.452 -170.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.91 -36.43 78.0 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 120.096 1.316 . . . . 0.0 112.347 173.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -68.17 -42.31 80.21 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.499 -0.75 . . . . 0.0 110.533 172.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -51.26 -44.24 61.73 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.607 0.763 . . . . 0.0 111.134 168.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.88 -12.59 15.38 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 127.055 2.264 . . . . 0.0 116.953 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.3 -2.07 7.56 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 119.479 1.639 . . . . 0.0 114.268 165.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.24 139.9 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 123.978 0.911 . . . . 0.0 111.894 -178.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -84.81 77.91 9.99 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.741 0.816 . . . . 0.0 109.555 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 57.8 t -48.89 -35.9 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 124.606 1.163 . . . . 0.0 113.584 -171.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -85.32 -5.09 59.34 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.806 2.042 . . . . 0.0 115.885 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -120.28 -52.84 2.15 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.018 1.327 . . . . 0.0 110.291 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.73 -32.51 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 O-C-N 121.169 -0.957 . . . . 0.0 111.949 172.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.86 -45.32 21.73 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-N 119.294 0.952 . . . . 0.0 112.136 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.89 -42.99 96.98 Favored Glycine 0 N--CA 1.469 0.88 0 CA-C-N 117.656 0.728 . . . . 0.0 112.24 172.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.96 -35.06 69.43 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-O 117.253 -1.356 . . . . 0.0 112.208 174.324 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.08 -48.85 78.88 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 122.137 2.244 . . . . 0.0 111.253 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 tp -71.7 -44.41 64.24 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 122.435 -0.166 . . . . 0.0 111.185 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.68 -49.29 77.93 Favored Glycine 0 N--CA 1.471 1.017 0 O-C-N 120.634 -1.291 . . . . 0.0 113.887 176.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -31.05 61.63 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 125.635 1.574 . . . . 0.0 112.182 175.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tt -77.84 -40.34 40.59 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.323 1.449 . . . . 0.0 112.911 171.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 53.2 mt -70.08 -34.54 73.31 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.675 -1.265 . . . . 0.0 110.649 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 22.4 m -75.82 -6.61 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.29 -4.72 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-N 121.149 1.795 . . . . 0.0 111.883 169.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 49.79 37.77 0.44 Allowed Pre-proline 0 CA--C 1.555 1.137 0 C-N-CA 125.725 1.61 . . . . 0.0 113.812 -166.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -81.86 178.16 6.74 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 122.075 1.85 . . . . 0.0 110.206 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -40.32 -35.53 0.43 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 176.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 38' ' ' THR . . . . . 0.416 HG22 ' CG ' ' D' ' 102' ' ' ASN . 23.7 p -54.75 -25.19 26.22 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.692 1.597 . . . . 0.0 114.408 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -46.44 -25.94 0.76 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.327 2.251 . . . . 0.0 115.068 173.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -51.02 -30.58 15.72 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 175.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -86.49 7.54 25.57 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -45.98 -39.84 9.57 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.887 1.675 . . . . 0.0 113.484 170.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.69 -22.42 57.16 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 174.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 16.7 t -97.35 -44.74 6.75 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.052 0.941 . . . . 0.0 112.21 173.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -61.75 -37.32 83.81 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.13 -106.11 2.95 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.556 1.074 . . . . 0.0 112.856 174.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.22 84.33 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.465 1.506 . . . . 0.0 112.624 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 tt -137.18 -19.03 1.28 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.911 1.685 . . . . 0.0 113.468 -174.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 8.7 t -54.84 -23.9 20.52 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.985 1.314 . . . . 0.0 114.381 -173.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 32.6 p -124.98 154.45 71.22 Favored Pre-proline 0 N--CA 1.472 0.664 0 C-N-CA 124.447 1.099 . . . . 0.0 111.371 167.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -56.0 -42.6 65.06 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.074 2.516 . . . . 0.0 114.057 173.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -61.02 -37.56 83.0 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.465 0.706 . . . . 0.0 111.744 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.39 -54.67 36.9 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.669 0.388 . . . . 0.0 111.079 170.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.84 -37.41 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -171.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -71.17 -27.28 63.41 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.396 0.998 . . . . 0.0 113.646 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.54 -0.99 59.13 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.315 0.96 . . . . 0.0 114.729 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -74.53 130.3 82.13 Favored Pre-proline 0 CA--C 1.556 1.196 0 C-N-CA 125.357 1.463 . . . . 0.0 112.935 -170.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -67.79 -37.4 16.05 Favored 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 123.749 2.966 . . . . 0.0 113.565 -177.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -66.14 -45.55 80.61 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.3 -0.875 . . . . 0.0 110.854 174.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 83.6 t -61.95 -46.51 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.848 0.859 . . . . 0.0 111.559 178.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -66.02 -38.45 88.46 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 119.624 1.102 . . . . 0.0 113.048 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.77 -45.07 91.43 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.42 1.009 . . . . 0.0 112.832 173.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -61.81 -36.13 80.22 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.258 -0.901 . . . . 0.0 111.084 173.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.41 -50.53 62.01 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 125.564 1.554 . . . . 0.0 114.154 166.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -58.71 -42.2 88.13 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.678 1.239 . . . . 0.0 111.573 173.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -63.15 -53.97 44.99 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.98 0.912 . . . . 0.0 112.641 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 67' ' ' VAL . . . . . 0.426 HG12 ' NB ' ' D' ' 201' ' ' HEC . 18.0 m -57.66 -44.94 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 119.429 1.013 . . . . 0.0 111.089 177.401 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 tt -71.89 -35.68 69.81 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.468 -0.77 . . . . 0.0 112.301 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.58 -42.1 93.92 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.465 1.031 . . . . 0.0 112.294 170.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.35 -37.28 84.96 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 117.845 0.823 . . . . 0.0 113.109 171.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -60.62 -35.43 76.13 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.634 -1.291 . . . . 0.0 111.494 170.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -41.53 87.46 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.532 1.133 . . . . 0.0 113.169 171.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -57.39 -32.54 66.92 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.445 1.021 . . . . 0.0 111.911 170.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.23 -63.59 4.77 Favored Glycine 0 C--N 1.34 0.783 0 C-N-CA 123.807 0.717 . . . . 0.0 111.649 166.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 18.3 mt -51.65 -35.17 41.19 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -178.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.43 -28.42 61.97 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 176.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.92 49.26 1.48 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.148 1.779 . . . . 0.0 111.442 -169.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.27 -21.57 62.08 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.814 -1.179 . . . . 0.0 113.949 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.07 -19.79 65.49 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 174.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -97.79 -65.82 0.94 Allowed 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 118.976 0.807 . . . . 0.0 112.716 -175.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 46.16 18.01 0.05 OUTLIER 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -173.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -138.14 -66.14 0.5 Allowed 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.176 1.391 . . . . 0.0 111.327 176.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.15 -35.07 75.73 Favored Glycine 0 N--CA 1.48 1.625 0 CA-C-N 118.943 0.792 . . . . 0.0 113.98 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.2 p -68.0 -13.73 62.41 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.114 1.766 . . . . 0.0 114.938 173.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -128.87 -4.26 5.15 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.399 1.48 . . . . 0.0 113.972 -174.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.95 -40.83 70.38 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 120.232 1.378 . . . . 0.0 113.406 -173.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 25.2 p -64.59 -36.77 85.32 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.75 1.22 . . . . 0.0 112.885 173.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 72.4 mt -77.23 -36.97 54.2 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.121 0.968 . . . . 0.0 112.02 177.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 4.3 t -61.4 -44.57 96.91 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.464 1.106 . . . . 0.0 110.336 171.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.71 -49.24 78.5 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.212 -0.93 . . . . 0.0 112.463 170.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 48.0 tp -55.84 -53.94 50.63 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.382 0.992 . . . . 0.0 112.002 177.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -82.51 -19.95 37.71 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -171.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 49.1 t -90.64 -64.59 1.11 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.712 0.805 . . . . 0.0 112.107 169.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -75.94 -40.39 54.18 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.609 -1.307 . . . . 0.0 113.299 -169.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.5 -41.4 21.78 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 56.2 mt -114.68 -24.22 8.85 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -171.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 34.09 46.97 0.17 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.852 2.461 . . . . 0.0 114.863 -169.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.43 150.2 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 120.947 -1.096 . . . . 0.0 110.692 -178.161 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -64.5 141.32 98.2 Favored Pre-proline 0 CA--C 1.55 0.979 0 O-C-N 121.426 -0.796 . . . . 0.0 112.749 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.54 -28.95 44.94 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.676 2.25 . . . . 0.0 114.1 -171.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -67.33 -27.54 67.23 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.898 -1.126 . . . . 0.0 112.62 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 102' ' ' ASN . . . . . 0.509 HD21 HBC2 ' D' ' 201' ' ' HEC . 49.4 t-20 -55.35 -50.06 70.64 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.133 1.373 . . . . 0.0 112.535 173.062 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -59.2 -46.53 88.19 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.724 1.209 . . . . 0.0 111.35 177.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -60.18 -45.37 93.35 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.76 0.824 . . . . 0.0 111.611 176.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 6.1 mp -61.0 -46.36 91.07 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 118.442 -0.79 . . . . 0.0 112.072 175.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.87 -41.21 77.58 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.779 1.172 . . . . 0.0 109.908 176.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 107' ' ' GLY . . . . . 0.489 ' CA ' HG11 ' D' ' 134' ' ' VAL . . . -57.06 -56.73 23.47 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 114.908 0.723 . . . . 0.0 114.908 173.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.59 -40.03 90.23 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 118.161 0.98 . . . . 0.0 111.119 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 98.2 t -67.06 -36.33 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 O-C-N 121.123 -0.986 . . . . 0.0 111.654 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 14.1 tp -54.49 -54.71 37.4 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.754 1.161 . . . . 0.0 110.559 174.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 33.1 m -61.07 -29.36 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-N 118.821 0.737 . . . . 0.0 112.823 178.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 83.1 m -71.36 -46.73 59.72 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 174.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 12.7 p -65.46 -36.83 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 119.841 1.201 . . . . 0.0 111.563 174.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 66.5 mt -58.44 -47.77 82.89 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.641 1.11 . . . . 0.0 110.743 171.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.11 -35.07 77.59 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 175.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -65.46 -59.01 4.45 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.7 1.136 . . . . 0.0 111.984 169.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -65.41 -22.04 66.73 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -168.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -131.37 43.39 3.08 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.195 1.798 . . . . 0.0 111.134 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.06 -32.51 35.29 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.06 1.314 . . . . 0.0 116.264 -177.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -71.47 -8.84 56.47 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 118.823 1.312 . . . . 0.0 114.39 173.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -130.39 5.14 4.77 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.137 1.775 . . . . 0.0 113.22 -170.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.42 33.51 0.05 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 -168.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 17.2 p -44.07 148.74 0.76 Allowed Pre-proline 0 N--CA 1.484 1.237 0 C-N-CA 124.998 1.319 . . . . 0.0 114.042 -167.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -45.81 -48.06 12.96 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 121.933 1.755 . . . . 0.0 114.459 174.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.19 -29.66 55.54 Favored 'Trans proline' 0 C--N 1.353 0.789 0 CA-C-O 116.948 -1.355 . . . . 0.0 113.913 174.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.74 -40.24 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 122.542 2.428 . . . . 0.0 112.493 177.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -60.76 -54.17 48.5 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.011 0.525 . . . . 0.0 110.026 172.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.06 -37.13 83.82 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 113.321 0.859 . . . . 0.0 113.321 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.23 -52.78 52.37 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.537 1.135 . . . . 0.0 111.553 -178.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -56.78 -47.28 80.51 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.85 -0.531 . . . . 0.0 111.058 169.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -56.66 -40.35 75.32 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.889 0.768 . . . . 0.0 112.764 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -71.06 -33.76 70.57 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.009 1.277 . . . . 0.0 113.699 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.15 -51.0 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-N 119.745 1.157 . . . . 0.0 109.787 168.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 134' ' ' VAL . . . . . 0.489 HG11 ' CA ' ' D' ' 107' ' ' GLY . 11.7 t -61.93 -43.51 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 C-N-CA 125.834 1.653 . . . . 0.0 112.832 -176.085 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.0 97.97 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.389 0.995 . . . . 0.0 111.657 175.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.24 -44.76 89.16 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 123.426 0.536 . . . . 0.0 112.562 168.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.63 -44.3 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.732 1.213 . . . . 0.0 113.303 175.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.7 94.07 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.061 0.846 . . . . 0.0 110.696 176.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -61.52 -39.93 92.81 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.169 0.588 . . . . 0.0 112.243 175.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.57 -45.25 91.32 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.163 0.985 . . . . 0.0 112.579 173.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.81 -24.39 63.47 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.625 -1.297 . . . . 0.0 112.374 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.49 -11.87 59.95 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 167.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -57.07 -43.72 82.37 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.036 -1.665 . . . . 0.0 113.42 -173.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -65.38 -7.75 15.25 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.043 1.498 . . . . 0.0 115.043 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -67.7 -18.05 64.78 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.365 1.439 . . . . 0.0 112.287 175.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 34.0 m80 . . . . . 0 C--O 1.251 1.175 0 C-N-CA 125.411 1.485 . . . . 0.0 112.951 -162.494 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.45 HMA3 ' HB3' ' A' ' 61' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 201' ' ' HEC . . . . . 0.435 ' NB ' HG12 ' B' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 201' ' ' HEC . . . . . 0.434 HMA3 ' HB3' ' C' ' 61' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 201' ' ' HEC . . . . . 0.509 HBC2 HD21 ' D' ' 102' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.519 2.979 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.2 mt -148.47 -167.28 2.77 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 126.37 1.868 . . . . 0.0 110.999 -170.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.36 152.35 64.24 Favored Pre-proline 0 N--CA 1.487 1.386 0 CA-C-N 119.992 1.269 . . . . 0.0 112.966 -175.085 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -67.6 -50.34 0.94 Allowed 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.399 2.733 . . . . 0.0 112.748 -174.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.38 87.27 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 122.734 0.414 . . . . 0.0 111.222 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -53.57 55.91 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 124.304 1.042 . . . . 0.0 113.17 178.074 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -55.29 -46.58 76.19 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.376 173.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.9 m -56.02 -45.19 79.21 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.981 1.264 . . . . 0.0 112.718 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -62.78 -42.23 99.6 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.242 -0.912 . . . . 0.0 112.248 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.6 t -73.71 -37.99 50.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-O 118.498 -0.763 . . . . 0.0 111.458 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -56.08 -48.09 76.75 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.518 1.054 . . . . 0.0 110.948 167.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.76 -51.96 67.52 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.119 0.568 . . . . 0.0 111.793 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.18 -54.1 47.59 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.547 0.739 . . . . 0.0 111.702 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -62.35 -26.97 68.74 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.71 -42.67 97.1 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.792 1.187 . . . . 0.0 113.421 170.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -70.22 -37.03 74.93 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 118.547 1.173 . . . . 0.0 111.034 173.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.36 -50.71 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.862 1.265 . . . . 0.0 111.234 175.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.71 -134.01 11.32 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 123.977 0.799 . . . . 0.0 114.047 176.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.68 -22.29 56.75 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -70.88 -8.88 55.98 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -46.96 -49.74 20.17 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.177 0.899 . . . . 0.0 112.552 177.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.98 -38.45 95.49 Favored Glycine 0 C--N 1.339 0.731 0 CA-C-O 119.125 -0.819 . . . . 0.0 113.892 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -66.25 -42.94 87.87 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.492 1.146 . . . . 0.0 111.074 174.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -62.92 -37.13 85.74 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.204 -0.935 . . . . 0.0 112.056 174.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.93 -46.87 92.67 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-N 118.851 0.751 . . . . 0.0 112.656 170.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.2 -45.8 86.74 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.354 1.077 . . . . 0.0 112.227 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -60.11 -41.72 93.19 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.861 0.864 . . . . 0.0 111.283 172.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.475 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -63.68 -40.91 98.0 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 178.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.42 -52.14 64.72 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.131 0.972 . . . . 0.0 111.442 171.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -60.05 -42.27 94.11 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.095 0.862 . . . . 0.0 112.946 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -59.76 -45.0 93.59 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 118.557 -0.735 . . . . 0.0 111.064 172.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.3 tmm? -59.56 -47.74 84.38 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.46 1.027 . . . . 0.0 111.709 175.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -58.44 -41.35 84.88 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.44 -36.47 29.36 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 118.832 0.742 . . . . 0.0 112.311 178.199 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 t -71.2 -33.92 70.38 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.758 0.823 . . . . 0.0 112.77 -175.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -128.12 85.83 59.56 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.801 1.64 . . . . 0.0 108.769 176.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.46 -18.73 5.96 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 123.742 2.961 . . . . 0.0 114.675 173.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.56 -21.41 2.5 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.236 2.214 . . . . 0.0 115.124 165.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.6 p -86.34 -20.49 28.24 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.864 1.211 . . . . 0.0 113.228 174.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -54.05 -38.35 65.14 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.427 1.091 . . . . 0.0 113.154 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 t -53.54 -30.64 42.79 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 178.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -58.45 -32.44 68.72 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 118.069 -0.967 . . . . 0.0 113.091 176.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.5 t80 11.25 67.99 0.09 OUTLIER Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 129.201 3.0 . . . . 0.0 114.984 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -80.88 38.2 0.74 Allowed 'Trans proline' 0 CA--C 1.548 1.183 0 C-N-CA 123.589 2.859 . . . . 0.0 113.774 -158.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.296 0.7 OUTLIER 92.57 8.04 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.414 1 C-N-CA 131.815 4.046 . . . . 0.0 113.672 -170.311 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -71.52 -177.7 1.93 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.051 1.74 . . . . 0.0 114.584 -175.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -130.03 -41.95 1.26 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.14 0.976 . . . . 0.0 113.585 -173.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.4 mt 54.58 17.56 1.7 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 126.851 2.06 . . . . 0.0 116.089 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.7 m -72.73 21.29 0.07 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 126.671 1.989 . . . . 0.0 115.804 -176.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 63.39 142.16 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.804 2.442 . . . . 0.0 112.91 -164.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.15 20.99 73.54 Favored Glycine 0 CA--C 1.54 1.61 0 O-C-N 121.08 -1.012 . . . . 0.0 115.112 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.5 t -62.91 114.5 3.69 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 118.506 1.153 . . . . 0.0 113.248 -176.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.3 -33.86 63.64 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.655 1.182 . . . . 0.0 112.746 171.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -67.41 -41.18 85.32 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.31 1.044 . . . . 0.0 111.314 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.19 -38.0 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.682 -0.636 . . . . 0.0 111.462 172.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -62.19 -48.48 79.87 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 119.311 0.959 . . . . 0.0 111.174 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.17 -44.3 98.31 Favored Glycine 0 N--CA 1.472 1.053 0 C-N-CA 124.281 0.943 . . . . 0.0 113.121 177.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -61.0 -42.77 99.08 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.502 -0.999 . . . . 0.0 111.782 173.032 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.36 -48.53 83.28 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 124.197 0.903 . . . . 0.0 113.204 172.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -55.25 -40.88 71.45 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.239 1.015 . . . . 0.0 112.164 172.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -65.24 -51.4 61.13 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 173.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.7 t -55.65 -43.21 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-N 120.372 1.442 . . . . 0.0 111.046 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.431 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -63.52 -51.0 67.37 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 176.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -61.84 -29.93 70.51 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.489 -0.757 . . . . 0.0 112.046 176.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.496 ' HB2' HMA1 ' A' ' 201' ' ' HEC . . . -66.89 -36.04 81.39 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.133 -0.979 . . . . 0.0 113.226 168.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.57 -39.16 88.34 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.354 0.979 . . . . 0.0 111.696 168.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.1 m -58.72 -48.72 80.18 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.915 1.234 . . . . 0.0 111.725 169.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -61.1 -37.99 84.71 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.9 1.68 . . . . 0.0 112.919 175.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.01 -61.0 2.87 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.147 0.885 . . . . 0.0 110.129 165.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.0 t -51.47 -37.42 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.067 1.347 . . . . 0.0 113.095 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.99 -26.59 65.1 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -134.94 15.95 3.55 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.817 1.247 . . . . 0.0 113.346 -169.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.5 p -60.24 -30.1 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.056 1.342 . . . . 0.0 114.488 -165.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -61.07 -16.31 42.4 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.755 1.222 . . . . 0.0 113.737 172.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -136.94 28.13 2.9 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 128.317 2.647 . . . . 0.0 110.947 -176.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.5 ttp -50.94 -36.41 24.65 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 116.717 2.118 . . . . 0.0 116.717 -173.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -64.39 36.42 0.1 Allowed 'Trans proline' 0 CA--C 1.557 1.655 0 C-N-CA 124.918 3.745 . . . . 0.0 116.56 170.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -145.75 -40.96 0.22 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.305 2.242 . . . . 0.0 110.543 162.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.69 -29.2 69.93 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.9 mt -100.12 0.67 41.12 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -55.73 -41.2 73.53 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -171.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.5 -28.48 67.08 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.146 0.885 . . . . 0.0 113.243 175.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.7 mt -83.95 -42.31 16.41 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.603 1.161 . . . . 0.0 110.288 -178.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.7 m -55.16 -40.29 70.49 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 122.717 0.407 . . . . 0.0 111.284 166.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -51.41 70.18 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.041 0.936 . . . . 0.0 111.627 174.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -45.19 90.23 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.201 -0.937 . . . . 0.0 111.261 175.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.19 -26.53 68.4 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.199 1.0 . . . . 0.0 113.237 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.81 -17.45 16.21 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.979 1.312 . . . . 0.0 114.502 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -131.0 -35.25 1.41 Allowed 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.278 1.585 . . . . 0.0 115.278 -171.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -65.23 -46.29 81.21 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 120.473 1.488 . . . . 0.0 109.821 173.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.98 -132.9 0.05 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.491 2.317 . . . . 0.0 108.189 172.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.84 54.88 0.83 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.402 1.081 . . . . 0.0 113.477 -166.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 76.4 t -52.42 103.09 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 124.146 0.978 . . . . 0.0 112.474 -172.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.01 134.15 89.79 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 123.515 0.726 . . . . 0.0 112.216 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -48.43 -33.1 22.04 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 125.165 3.91 . . . . 0.0 116.585 -176.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.2 p -47.04 -39.36 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.02 0.928 . . . . 0.0 113.049 173.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -73.53 -28.69 62.02 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.34 -0.85 . . . . 0.0 112.181 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -60.95 -48.77 80.3 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 119.062 0.846 . . . . 0.0 109.712 167.266 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -55.23 -45.92 75.97 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.707 0.685 . . . . 0.0 110.581 -177.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 64.2 mt -58.45 -62.97 1.45 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.7 1.2 . . . . 0.0 110.904 173.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.8 tp -52.11 -46.01 65.14 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.687 0.795 . . . . 0.0 112.776 -178.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.1 t -56.3 -51.25 68.89 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.522 1.129 . . . . 0.0 111.8 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -60.24 -45.65 92.5 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.887 -0.508 . . . . 0.0 111.21 175.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.475 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 59.6 m -59.07 -40.57 85.6 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.741 -0.6 . . . . 0.0 112.324 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 64.6 mt -64.38 -46.06 85.0 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.872 0.869 . . . . 0.0 111.478 175.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.2 mt -55.95 -45.04 78.97 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.475 -0.766 . . . . 0.0 111.194 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 20.1 t -59.69 -46.6 93.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 124.583 1.153 . . . . 0.0 112.573 176.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.5 p -66.64 -42.76 86.23 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.728 1.149 . . . . 0.0 111.787 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.04 -45.48 90.64 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.47 1.032 . . . . 0.0 110.787 175.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.23 -27.61 55.5 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.82 -12.03 60.01 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -128.34 -17.48 4.22 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -170.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -111.94 130.66 23.0 Favored Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 124.308 1.043 . . . . 0.0 109.427 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -47.47 -47.55 17.54 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 124.795 3.663 . . . . 0.0 117.632 -158.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.459 ' HA ' ' CE2' ' A' ' 117' ' ' PHE . . . -134.28 18.31 3.7 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 124.288 1.035 . . . . 0.0 112.164 -178.062 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -16.69 5.69 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 117.11 2.263 . . . . 0.0 117.11 -155.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.459 ' CE2' ' HA ' ' A' ' 115' ' ' ALA . 26.7 p90 -66.35 11.96 0.08 Allowed 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 126.514 1.926 . . . . 0.0 113.349 162.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -54.93 162.67 1.76 Allowed Pre-proline 0 N--CA 1.48 1.055 0 C-N-CA 126.189 1.796 . . . . 0.0 112.549 -176.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -52.22 -50.25 14.63 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.646 2.231 . . . . 0.0 113.315 172.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -67.56 -60.28 2.68 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.61 -35.13 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 120.677 -1.264 . . . . 0.0 112.827 -167.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -79.14 -45.3 20.26 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.876 1.216 . . . . 0.0 113.544 176.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.94 -48.45 73.14 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 120.291 1.405 . . . . 0.0 110.199 173.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.1 m -59.93 -57.0 14.78 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.576 1.151 . . . . 0.0 111.652 177.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 28.0 mt -58.31 -42.36 86.52 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 121.471 1.942 . . . . 0.0 113.534 177.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -60.06 -52.46 65.27 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.916 1.235 . . . . 0.0 111.67 177.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -27.75 63.64 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -68.12 -49.57 60.27 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.116 1.366 . . . . 0.0 110.642 172.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -59.79 -39.33 84.59 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.012 0.824 . . . . 0.0 111.196 172.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.57 -33.8 75.69 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 171.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 36.8 t -71.43 -45.12 63.5 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.539 -1.35 . . . . 0.0 112.27 170.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.7 t -51.98 -54.98 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 123.879 0.872 . . . . 0.0 109.436 173.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 96.1 p -64.09 -42.64 96.87 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 119.264 0.938 . . . . 0.0 113.151 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.5 m -49.82 -47.78 51.23 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.462 1.028 . . . . 0.0 110.923 171.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 90.3 t -71.21 -44.47 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 O-C-N 121.173 -0.954 . . . . 0.0 111.206 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -16.48 64.02 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.4 t -101.2 -17.27 16.7 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.29 1.436 . . . . 0.0 112.4 172.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.6 t -66.41 163.62 17.95 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.143 0.977 . . . . 0.0 112.108 166.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -152.22 123.96 7.92 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.671 1.588 . . . . 0.0 110.911 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -111.26 -44.35 3.57 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.017 1.327 . . . . 0.0 112.781 -175.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.252 1.217 0 C-N-CA 125.307 1.443 . . . . 0.0 112.603 -176.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.34 2.2 p . . . . . 0 N--CA 1.515 2.808 0 CA-C-O 116.859 -1.543 . . . . 0.0 113.206 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 5.1 m170 40.08 77.73 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 120.493 1.497 . . . . 0.0 113.69 -173.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.0 mt -58.41 114.51 2.47 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.156 -0.965 . . . . 0.0 109.709 170.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.63 134.26 82.46 Favored Pre-proline 0 N--CA 1.471 0.583 0 C-N-CA 126.189 1.796 . . . . 0.0 109.042 174.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -49.43 -42.73 40.71 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.068 2.512 . . . . 0.0 116.386 -168.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.77 -40.56 88.25 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.546 -0.721 . . . . 0.0 111.923 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.41 -44.72 82.19 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.022 0.929 . . . . 0.0 111.51 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -43.19 82.88 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.855 1.207 . . . . 0.0 111.593 171.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t -57.67 -45.97 84.88 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.491 1.042 . . . . 0.0 110.745 173.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.91 -59.47 5.19 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 121.619 -0.676 . . . . 0.0 112.731 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.49 HG23 ' CE2' ' B' ' 130' ' ' TYR . 2.6 p -63.63 -46.32 95.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 CA-C-N 119.751 1.16 . . . . 0.0 112.537 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -75.48 -31.83 60.37 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.246 0.93 . . . . 0.0 112.044 -172.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.67 -36.99 83.85 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 120.634 1.561 . . . . 0.0 111.987 171.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -32.71 70.57 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.57 -0.706 . . . . 0.0 111.616 173.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -60.75 -43.99 97.27 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.468 -0.77 . . . . 0.0 112.134 165.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.37 -32.05 57.35 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.758 1.647 . . . . 0.0 115.35 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -95.55 -13.01 24.8 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 174.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.95 132.25 27.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.563 1.145 . . . . 0.0 111.525 -175.332 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -82.87 91.74 7.15 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.668 0.787 . . . . 0.0 109.178 172.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 90.5 t -54.76 -36.87 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 CA-C-N 119.408 1.004 . . . . 0.0 113.57 -171.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -63.41 -54.59 34.23 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.873 0.761 . . . . 0.0 112.82 172.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.79 -55.97 5.93 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 119.337 -0.364 . . . . 0.0 110.183 -175.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -27.43 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 119.183 0.901 . . . . 0.0 112.834 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.92 -46.68 13.1 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-N 119.012 0.824 . . . . 0.0 112.248 175.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.0 -41.23 99.94 Favored Glycine 0 N--CA 1.469 0.872 0 CA-C-N 118.297 1.048 . . . . 0.0 112.759 171.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -54.48 -65.77 0.52 Allowed 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 125.052 1.341 . . . . 0.0 109.645 167.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.446 ' HA ' HG11 ' B' ' 113' ' ' VAL . . . -54.51 -52.06 63.15 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 121.037 1.744 . . . . 0.0 113.474 -176.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 tp -70.95 -39.81 72.36 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.445 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.0 -43.35 99.29 Favored Glycine 0 N--CA 1.468 0.773 0 CA-C-N 119.777 1.171 . . . . 0.0 111.728 171.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -40.67 57.34 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.583 1.553 . . . . 0.0 111.41 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' B' ' 106' ' ' LEU . 26.0 tp -49.79 -40.74 42.54 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.713 0.805 . . . . 0.0 111.873 176.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.77 -29.8 19.51 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 122.014 -0.429 . . . . 0.0 110.797 -176.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 1.4 m -67.44 -18.25 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 177.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.8 2.42 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 119.656 1.116 . . . . 0.0 113.413 168.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.61 39.25 0.6 Allowed Pre-proline 0 CA--C 1.563 1.463 0 C-N-CA 126.249 1.819 . . . . 0.0 114.777 -173.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -83.75 158.43 14.05 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.235 1.957 . . . . 0.0 111.736 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 33.1 p90 -48.42 -36.12 14.18 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.01 0.924 . . . . 0.0 113.125 172.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 2.4 m -49.74 -30.87 10.2 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.888 1.675 . . . . 0.0 114.215 177.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -58.55 -28.26 65.32 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -30.18 69.95 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.535 0.734 . . . . 0.0 112.412 -177.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -87.53 -4.5 58.98 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 176.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -89.72 8.7 30.33 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.884 0.874 . . . . 0.0 112.896 175.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -53.76 -31.69 49.55 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.428 -1.42 . . . . 0.0 113.347 170.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 46.9 p -59.35 -22.63 61.61 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.94 1.296 . . . . 0.0 114.33 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -79.5 -11.41 59.9 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.973 1.309 . . . . 0.0 112.991 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.52 -173.58 11.8 Favored Glycine 0 CA--C 1.537 1.419 0 CA-C-N 119.219 0.918 . . . . 0.0 113.515 -170.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 45.68 -124.29 1.2 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.463 1.105 . . . . 0.0 111.073 -170.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 tt 64.74 -22.03 0.08 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 127.407 2.283 . . . . 0.0 116.172 172.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -50.75 -29.74 12.22 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 127.663 2.385 . . . . 0.0 113.729 173.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 11.0 p -127.66 155.0 77.79 Favored Pre-proline 0 N--CA 1.473 0.675 0 C-N-CA 124.408 1.083 . . . . 0.0 109.513 161.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -70.3 -33.16 15.04 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.125 1.216 . . . . 0.0 113.413 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -58.74 -38.87 79.34 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.955 0.798 . . . . 0.0 110.612 172.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.65 -43.94 92.02 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 118.317 -0.849 . . . . 0.0 112.127 171.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -34.27 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 CA-C-N 121.218 1.826 . . . . 0.0 113.213 177.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 2.0 ttm -74.46 -34.71 63.23 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.859 0.864 . . . . 0.0 113.112 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.4 -31.76 36.61 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 123.757 0.694 . . . . 0.0 114.301 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -49.67 116.4 6.03 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 126.106 1.763 . . . . 0.0 113.606 -171.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -62.53 -26.86 76.35 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.741 2.294 . . . . 0.0 113.292 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -65.76 -43.24 89.47 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.506 1.048 . . . . 0.0 112.165 174.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 26.5 t -69.97 -35.26 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 O-C-N 121.487 -0.758 . . . . 0.0 111.392 174.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -63.04 -51.9 64.92 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 119.793 1.179 . . . . 0.0 112.217 171.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.39 -46.66 88.06 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.299 1.04 . . . . 0.0 112.604 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -68.05 -35.39 78.16 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.936 -1.103 . . . . 0.0 112.425 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.73 -46.21 83.26 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.907 1.241 . . . . 0.0 112.819 169.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.86 -42.25 79.43 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.268 1.034 . . . . 0.0 111.845 169.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -66.08 -49.64 66.89 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.17 0.895 . . . . 0.0 113.258 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 4.6 m -62.66 -39.84 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 120.047 1.294 . . . . 0.0 111.718 175.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 tt -71.19 -36.67 72.03 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 120.715 -1.241 . . . . 0.0 112.213 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.78 -35.72 76.02 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.616 1.103 . . . . 0.0 113.049 168.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.41 -45.67 75.45 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.268 -1.136 . . . . 0.0 112.453 168.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -57.88 -37.79 74.6 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 120.398 -1.439 . . . . 0.0 112.915 172.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 38.4 p -73.25 -36.73 66.45 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.474 1.034 . . . . 0.0 113.435 176.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -55.46 -35.58 65.65 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.361 0.982 . . . . 0.0 111.239 165.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.12 -63.64 5.11 Favored Glycine 0 C--N 1.34 0.802 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 167.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mt -54.01 -21.24 7.77 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 177.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.5 -20.87 22.2 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.719 1.608 . . . . 0.0 114.889 175.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -139.71 41.96 2.0 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.342 1.457 . . . . 0.0 113.257 -171.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.92 -11.52 28.82 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 177.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -4.88 42.76 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.93 0.892 . . . . 0.0 113.31 171.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.38 -63.41 1.39 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -171.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 51.03 -13.46 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 128.51 2.724 . . . . 0.0 118.266 -171.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -119.62 -57.54 1.97 Allowed 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 120.731 1.605 . . . . 0.0 111.153 -178.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.23 -39.41 94.54 Favored Glycine 0 CA--C 1.537 1.458 0 CA-C-N 118.811 0.732 . . . . 0.0 114.061 176.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 3.2 t -71.85 -18.89 62.04 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -121.48 5.76 10.12 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.49 1.292 . . . . 0.0 114.49 -175.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.02 -39.8 69.51 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 120.803 1.638 . . . . 0.0 113.409 -173.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 17.0 p -63.81 -44.07 94.38 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.813 1.245 . . . . 0.0 112.654 173.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 20.9 mt -68.25 -39.45 82.25 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.584 -0.697 . . . . 0.0 111.896 175.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -63.44 -38.52 91.45 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.249 1.02 . . . . 0.0 111.682 175.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -64.9 -49.82 68.98 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.162 -0.962 . . . . 0.0 112.047 170.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 12.4 tp -50.64 -54.69 20.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.094 0.958 . . . . 0.0 111.363 173.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -74.62 10.95 1.14 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.79 1.236 . . . . 0.0 114.209 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 41.9 t -130.55 -58.64 1.04 Allowed 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.951 -1.093 . . . . 0.0 111.715 174.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.64 -40.01 70.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.172 0.989 . . . . 0.0 113.005 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -41.55 15.97 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.39 0.676 . . . . 0.0 112.36 178.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.93 82.07 1.44 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.633 1.573 . . . . 0.0 111.551 -176.03 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -66.09 28.81 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 126.946 2.098 . . . . 0.0 115.127 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 76.2 t -51.41 145.29 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 128.044 2.537 . . . . 0.0 112.377 -173.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -56.88 131.94 79.31 Favored Pre-proline 0 CA--C 1.553 1.059 0 O-C-N 121.469 -0.769 . . . . 0.0 112.914 -178.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -49.73 -30.03 21.54 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 124.018 3.145 . . . . 0.0 115.558 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -42.64 -46.4 4.99 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.399 1.479 . . . . 0.0 113.976 169.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -65.19 -31.71 73.03 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.27 -0.894 . . . . 0.0 112.77 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -67.1 -45.77 76.23 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.936 0.895 . . . . 0.0 110.117 176.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -63.05 -38.31 90.66 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 119.365 -0.35 . . . . 0.0 111.696 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 13.7 mt -60.47 -48.49 81.51 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.071 0.949 . . . . 0.0 112.755 172.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.406 ' HA ' HD13 ' B' ' 31' ' ' LEU . 1.4 tt -56.99 -42.36 80.12 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 118.773 0.715 . . . . 0.0 110.952 174.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.35 -63.73 5.02 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 124.475 1.035 . . . . 0.0 114.04 172.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -44.71 -49.31 10.56 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.159 1.783 . . . . 0.0 110.792 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 36.9 t -59.74 -52.36 61.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 123.636 0.774 . . . . 0.0 112.223 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 58.7 tp -56.33 -51.9 66.55 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.724 1.147 . . . . 0.0 110.946 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.429 HG12 ' HB3' ' B' ' 130' ' ' TYR . 1.4 m -62.69 -31.78 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.915 -179.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 21.9 t -65.82 -42.82 90.13 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.218 0.463 . . . . 0.0 111.88 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' VAL . . . . . 0.446 HG11 ' HA ' ' B' ' 27' ' ' ALA 0.262 1.7 m -68.95 -37.32 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 120.678 -1.264 . . . . 0.0 112.614 -178.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.78 -36.46 83.96 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.53 -0.731 . . . . 0.0 110.943 172.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.08 69.55 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 172.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' HIS . . . . . 0.451 ' CG ' ' CE2' ' A' ' 117' ' ' PHE . 0.9 OUTLIER -77.74 -50.0 13.28 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.649 1.113 . . . . 0.0 112.216 172.88 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.96 -19.24 61.92 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -167.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -128.93 41.27 3.51 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.231 1.813 . . . . 0.0 110.04 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -54.61 -22.86 26.45 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 126.022 1.772 . . . . 0.0 116.114 -177.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -79.63 -8.73 59.38 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.849 1.324 . . . . 0.0 113.744 173.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -128.73 3.94 5.48 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 127.484 2.314 . . . . 0.0 112.586 -172.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.11 27.03 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 127.081 2.152 . . . . 0.0 116.125 -171.016 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 29.1 p -46.31 144.34 3.27 Favored Pre-proline 0 N--CA 1.48 1.065 0 O-C-N 120.566 -1.334 . . . . 0.0 113.562 -165.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -40.47 -45.96 4.46 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 C-N-CA 123.402 2.734 . . . . 0.0 116.102 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.69 -27.23 27.07 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.696 1.597 . . . . 0.0 115.057 173.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -44.75 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 121.998 2.181 . . . . 0.0 111.85 174.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -73.73 -28.25 61.61 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 118.215 -0.898 . . . . 0.0 112.41 175.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.37 -48.31 67.81 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.853 1.66 . . . . 0.0 111.769 170.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.56 81.15 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 124.944 1.297 . . . . 0.0 111.369 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.49 ' CE2' HG23 ' B' ' 11' ' ' VAL . 1.0 OUTLIER -54.52 -51.47 65.06 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 118.571 -0.728 . . . . 0.0 111.535 170.785 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.13 -36.15 74.71 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.745 1.157 . . . . 0.0 112.975 178.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -66.83 -44.01 82.24 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.764 1.166 . . . . 0.0 112.833 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.82 -39.83 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.133 -0.98 . . . . 0.0 112.416 172.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 19.9 t -60.75 -42.25 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.665 1.186 . . . . 0.0 112.058 176.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.04 96.42 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.616 1.166 . . . . 0.0 111.806 174.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -54.52 -49.85 59.28 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.733 -0.482 . . . . 0.0 112.148 169.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 3.7 t -58.28 -47.87 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 117.946 0.873 . . . . 0.0 112.191 172.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.82 -47.67 79.75 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 120.28 1.4 . . . . 0.0 111.908 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -66.52 -35.95 81.51 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.744 -0.597 . . . . 0.0 112.259 176.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.5 79.44 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.015 -1.053 . . . . 0.0 112.561 173.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.17 -27.99 66.89 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.119 -0.988 . . . . 0.0 111.812 177.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 142' ' ' ALA . . . . . 0.489 ' HA ' ' CE1' ' B' ' 145' ' ' TYR . . . -77.56 -6.7 54.59 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.83 1.418 . . . . 0.0 114.83 168.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -62.7 -42.24 99.53 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 119.706 -1.871 . . . . 0.0 113.041 -167.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.6 -9.43 3.82 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.404 1.481 . . . . 0.0 114.872 176.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 145' ' ' TYR . . . . . 0.489 ' CE1' ' HA ' ' B' ' 142' ' ' ALA . 1.7 m-30 -70.95 -27.09 63.49 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.456 1.025 . . . . 0.0 111.639 -177.209 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 60.5 m80 . . . . . 0 C--O 1.254 1.312 0 C-N-CA 126.123 1.769 . . . . 0.0 112.915 177.797 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.518 2.934 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 21.8 mt -148.52 -167.24 2.76 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 126.287 1.835 . . . . 0.0 110.929 -170.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.3 152.41 64.12 Favored Pre-proline 0 N--CA 1.486 1.359 0 CA-C-N 119.989 1.268 . . . . 0.0 113.014 -175.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -67.68 -50.17 0.96 Allowed 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.229 2.619 . . . . 0.0 112.806 -174.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.35 87.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 122.856 0.463 . . . . 0.0 111.11 175.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -53.69 54.5 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.268 1.027 . . . . 0.0 113.154 178.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -55.23 -46.58 75.98 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-O 118.137 -0.935 . . . . 0.0 111.392 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 54.2 m -56.03 -45.21 79.23 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.988 1.267 . . . . 0.0 112.638 175.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -62.8 -42.22 99.62 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.111 0.869 . . . . 0.0 112.204 177.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 81.7 t -73.75 -38.0 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 118.558 -0.734 . . . . 0.0 111.379 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -56.05 -48.18 76.51 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.48 1.036 . . . . 0.0 110.94 167.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.82 -51.92 67.68 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.188 0.595 . . . . 0.0 111.673 177.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.13 -54.12 47.29 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.493 0.717 . . . . 0.0 111.69 176.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -62.3 -26.96 68.71 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.89 -42.5 96.91 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.677 1.132 . . . . 0.0 113.464 170.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -70.41 -36.92 74.33 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 118.577 1.189 . . . . 0.0 111.012 173.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 53.6 t -57.35 -50.78 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 124.957 1.303 . . . . 0.0 111.179 175.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.75 -134.0 11.42 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 123.939 0.781 . . . . 0.0 114.054 176.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.71 -22.42 57.39 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -70.72 -8.71 54.16 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 175.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.436 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -47.08 -49.73 21.13 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.247 0.93 . . . . 0.0 112.581 177.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.86 -38.89 96.11 Favored Glycine 0 C--N 1.34 0.752 0 CA-C-O 119.226 -0.763 . . . . 0.0 113.9 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.83 -42.98 89.86 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.4 1.1 . . . . 0.0 111.09 174.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -63.06 -37.05 85.66 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.261 -0.899 . . . . 0.0 112.048 174.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.85 -46.82 92.81 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-N 118.877 0.762 . . . . 0.0 112.74 170.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.37 -45.72 86.5 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.173 0.986 . . . . 0.0 112.097 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -60.05 -41.72 92.91 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.851 0.86 . . . . 0.0 111.387 172.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.464 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -63.91 -40.71 97.11 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 178.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 73.0 mt -62.53 -51.97 65.3 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.083 0.953 . . . . 0.0 111.488 170.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -60.31 -42.2 95.05 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.099 0.863 . . . . 0.0 112.844 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -59.73 -44.94 93.55 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 118.585 -0.722 . . . . 0.0 111.096 172.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 9.3 tmm? -59.78 -47.45 85.62 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.379 0.99 . . . . 0.0 111.662 175.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -58.77 -41.23 86.12 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.29 -36.44 29.84 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 118.808 0.731 . . . . 0.0 112.531 177.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 7.4 t -71.17 -33.85 70.39 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.808 0.843 . . . . 0.0 112.82 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -128.22 85.75 59.7 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.907 1.683 . . . . 0.0 108.75 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.54 -18.67 6.11 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.684 2.923 . . . . 0.0 114.653 173.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -21.36 2.23 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 127.377 2.271 . . . . 0.0 115.108 165.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 26.8 p -86.55 -20.61 27.72 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.959 1.254 . . . . 0.0 113.305 174.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -53.86 -38.42 64.68 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.41 1.084 . . . . 0.0 113.229 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 2.8 t -53.28 -30.95 41.4 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 178.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -58.28 -32.53 68.5 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 118.132 -0.937 . . . . 0.0 113.156 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 2.5 t80 11.25 67.98 0.09 OUTLIER Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 129.122 2.969 . . . . 0.0 115.072 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -80.83 38.08 0.73 Allowed 'Trans proline' 0 CA--C 1.548 1.213 0 C-N-CA 123.601 2.867 . . . . 0.0 113.794 -158.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.297 0.7 OUTLIER 92.68 7.97 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.38 1 C-N-CA 131.787 4.035 . . . . 0.0 113.715 -170.315 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -71.45 -177.66 1.89 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.963 1.705 . . . . 0.0 114.73 -175.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -130.05 -41.95 1.26 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.125 0.97 . . . . 0.0 113.51 -173.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 mt 54.48 17.56 1.65 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.943 2.097 . . . . 0.0 116.143 175.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 66.1 m -72.63 21.23 0.07 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 126.668 1.987 . . . . 0.0 115.748 -176.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 63.36 142.16 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 127.839 2.455 . . . . 0.0 112.897 -164.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.06 21.15 73.45 Favored Glycine 0 CA--C 1.541 1.715 0 O-C-N 121.026 -1.046 . . . . 0.0 115.18 -177.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 26.3 t -62.94 114.64 3.79 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.483 1.113 . . . . 0.0 113.205 -176.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.28 -34.04 63.75 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.663 1.185 . . . . 0.0 112.778 171.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -67.38 -41.13 85.52 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.215 1.006 . . . . 0.0 111.375 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 90.3 t -65.23 -37.91 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 O-C-N 121.567 -0.708 . . . . 0.0 111.402 172.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -62.16 -48.54 79.62 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 119.29 0.95 . . . . 0.0 111.225 176.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.09 -44.49 98.1 Favored Glycine 0 N--CA 1.472 1.097 0 C-N-CA 124.196 0.903 . . . . 0.0 113.121 177.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.81 -42.71 98.17 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.414 -1.051 . . . . 0.0 111.817 173.054 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.42 -48.65 82.75 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 124.137 0.875 . . . . 0.0 113.19 172.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -55.11 -40.78 70.88 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.307 1.043 . . . . 0.0 112.245 172.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -65.34 -51.48 60.26 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 173.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 88.1 t -55.6 -43.24 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 CA-C-N 120.333 1.424 . . . . 0.0 110.983 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 63' ' ' ALA . . . . . 0.436 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -63.53 -51.1 66.92 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 123.943 0.897 . . . . 0.0 113.323 176.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -61.68 -30.03 70.47 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.478 -0.764 . . . . 0.0 112.058 176.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 65' ' ' ALA . . . . . 0.516 ' HB2' HMA1 ' C' ' 201' ' ' HEC . . . -67.06 -36.01 81.1 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.27 -0.894 . . . . 0.0 113.235 169.083 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.37 -39.08 88.89 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.346 0.975 . . . . 0.0 111.847 168.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 78.9 m -58.62 -49.0 79.11 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.985 1.266 . . . . 0.0 111.674 169.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -60.83 -38.1 84.3 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.889 1.676 . . . . 0.0 113.037 175.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.13 -60.76 3.25 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 119.078 0.853 . . . . 0.0 110.181 165.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 53.3 t -51.5 -37.51 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.108 1.363 . . . . 0.0 113.013 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.01 -26.49 65.03 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 177.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -134.93 15.91 3.55 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.814 1.246 . . . . 0.0 113.46 -169.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 5.4 p -60.2 -30.14 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.958 1.303 . . . . 0.0 114.513 -165.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.98 -16.32 41.68 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.672 1.189 . . . . 0.0 113.766 172.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -137.0 28.2 2.88 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 128.338 2.655 . . . . 0.0 110.853 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 11.4 ttp -51.02 -36.48 25.64 Favored Pre-proline 0 CA--C 1.548 0.887 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 -173.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -64.31 35.75 0.1 OUTLIER 'Trans proline' 0 CA--C 1.558 1.706 0 C-N-CA 124.851 3.701 . . . . 0.0 116.641 170.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -145.0 -40.96 0.24 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.084 2.154 . . . . 0.0 110.559 162.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.71 -29.05 69.85 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -178.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 85.2 mt -100.07 0.5 40.91 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 67.4 m -55.64 -41.37 73.45 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -171.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.27 -28.59 66.88 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.143 0.883 . . . . 0.0 113.325 175.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 11.7 mt -83.81 -42.29 16.61 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.565 1.146 . . . . 0.0 110.336 -178.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 14.8 m -55.2 -40.32 70.62 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.812 0.445 . . . . 0.0 111.208 166.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.07 -51.38 70.31 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.0 0.92 . . . . 0.0 111.587 174.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.91 -44.94 91.36 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.196 -0.94 . . . . 0.0 111.225 175.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -26.67 68.52 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.23 1.012 . . . . 0.0 113.172 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.78 -17.39 16.26 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.978 1.311 . . . . 0.0 114.529 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -131.01 -35.34 1.4 Allowed 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -171.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -65.28 -46.3 81.01 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 120.52 1.509 . . . . 0.0 109.832 173.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.91 -132.83 0.05 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.497 2.319 . . . . 0.0 108.245 172.134 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.82 54.0 0.83 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.38 1.072 . . . . 0.0 113.56 -166.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 76.7 t -51.68 103.15 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 124.306 1.042 . . . . 0.0 112.614 -172.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.23 134.27 89.3 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 123.473 0.709 . . . . 0.0 112.152 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -48.53 -33.07 22.51 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 125.171 3.914 . . . . 0.0 116.648 -176.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 14.4 p -47.14 -39.25 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 119.178 0.899 . . . . 0.0 113.047 173.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -73.51 -28.74 62.06 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 121.311 -0.868 . . . . 0.0 112.091 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 98' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -60.96 -48.73 80.45 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.116 0.871 . . . . 0.0 109.768 167.316 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -55.35 -45.77 76.45 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 118.631 0.65 . . . . 0.0 110.576 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 64.6 mt -58.5 -62.93 1.49 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.676 1.19 . . . . 0.0 110.964 173.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 56.3 tp -52.06 -45.94 64.93 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.718 0.807 . . . . 0.0 112.789 -178.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 41.1 t -56.46 -51.38 68.67 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.622 1.169 . . . . 0.0 111.626 177.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -60.11 -45.68 92.16 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 122.061 -0.399 . . . . 0.0 111.269 175.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 104' ' ' CYS . . . . . 0.464 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 59.6 m -58.85 -40.9 85.64 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.69 -0.631 . . . . 0.0 112.306 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 64.8 mt -64.35 -45.89 85.82 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.875 0.87 . . . . 0.0 111.423 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.04 -44.99 79.32 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.545 -0.722 . . . . 0.0 111.05 173.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 20.2 t -59.93 -46.57 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.651 1.181 . . . . 0.0 112.401 176.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 10.6 p -66.54 -42.92 86.46 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.78 1.173 . . . . 0.0 111.72 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.06 -45.38 90.94 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.538 1.063 . . . . 0.0 110.811 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.08 -27.87 55.37 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.6 -12.04 60.0 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 178.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -128.47 -17.45 4.16 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 -170.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -111.95 130.78 22.89 Favored Pre-proline 0 CA--C 1.555 1.163 0 C-N-CA 124.266 1.026 . . . . 0.0 109.343 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -47.58 -47.66 17.51 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 124.807 3.672 . . . . 0.0 117.488 -158.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 115' ' ' ALA . . . . . 0.46 ' HA ' ' CE2' ' C' ' 117' ' ' PHE . . . -134.21 18.41 3.72 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.369 1.067 . . . . 0.0 112.171 -178.063 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.43 -16.4 5.72 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 117.149 2.277 . . . . 0.0 117.149 -155.423 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 117' ' ' PHE . . . . . 0.461 ' CE2' ' CG ' ' D' ' 116' ' ' HIS . 27.0 p90 -66.56 12.16 0.08 Allowed 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 126.48 1.912 . . . . 0.0 113.287 162.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.15 162.88 1.81 Allowed Pre-proline 0 N--CA 1.48 1.047 0 C-N-CA 126.138 1.775 . . . . 0.0 112.471 -176.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -52.29 -50.33 14.39 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.675 2.25 . . . . 0.0 113.25 172.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -67.61 -60.26 2.69 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.6 -35.14 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 O-C-N 120.839 -1.163 . . . . 0.0 112.909 -167.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -79.01 -45.56 19.97 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.845 1.202 . . . . 0.0 113.486 176.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.77 -48.59 72.47 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 120.301 1.41 . . . . 0.0 110.245 173.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 50.4 m -59.88 -57.04 14.59 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.653 176.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 27.3 mt -58.38 -42.26 86.65 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 121.507 1.958 . . . . 0.0 113.534 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.76 -52.72 64.29 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 120.074 1.306 . . . . 0.0 111.71 176.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -27.7 63.56 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -68.13 -49.46 60.96 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.062 1.345 . . . . 0.0 110.693 172.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -59.81 -39.4 84.92 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.965 0.802 . . . . 0.0 111.213 172.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.59 -33.66 75.43 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 119.523 1.056 . . . . 0.0 113.78 171.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 36.9 t -71.61 -45.19 62.87 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.622 -1.299 . . . . 0.0 112.119 170.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 57.6 t -51.96 -54.92 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 123.871 0.868 . . . . 0.0 109.487 173.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 95.7 p -64.22 -42.59 96.51 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 119.156 0.889 . . . . 0.0 113.112 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 1.5 m -49.99 -47.64 52.75 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.522 1.055 . . . . 0.0 110.98 171.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 89.2 t -71.1 -44.58 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 O-C-N 121.155 -0.966 . . . . 0.0 111.276 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -16.34 63.95 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 1.4 t -101.23 -17.24 16.69 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.197 1.399 . . . . 0.0 112.427 172.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 15.9 t -66.39 163.62 17.9 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.2 1.0 . . . . 0.0 112.047 166.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 13.7 pttm -152.22 123.8 7.84 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.556 1.542 . . . . 0.0 110.761 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -111.05 -44.3 3.61 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.975 1.31 . . . . 0.0 112.857 -175.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.255 0 C-N-CA 125.464 1.505 . . . . 0.0 112.706 -176.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.337 2.2 p . . . . . 0 N--CA 1.515 2.8 0 CA-C-O 116.674 -1.631 . . . . 0.0 113.233 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 5.1 m170 39.99 77.74 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 120.583 1.538 . . . . 0.0 113.757 -173.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 63.3 mt -58.41 114.47 2.46 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.135 -0.978 . . . . 0.0 109.68 170.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.63 134.3 82.47 Favored Pre-proline 0 N--CA 1.472 0.658 0 C-N-CA 126.165 1.786 . . . . 0.0 109.08 174.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.52 -42.72 41.37 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.094 2.529 . . . . 0.0 116.351 -168.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.92 -40.38 87.61 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.648 -0.658 . . . . 0.0 111.904 176.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.39 -44.66 82.47 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.147 0.979 . . . . 0.0 111.526 173.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -43.23 83.56 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.787 1.176 . . . . 0.0 111.482 171.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 16.9 t -57.74 -45.86 85.26 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.439 1.018 . . . . 0.0 110.83 173.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.78 -59.43 5.23 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 175.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 11' ' ' VAL . . . . . 0.497 HG23 ' CE2' ' D' ' 130' ' ' TYR . 2.6 p -63.7 -46.23 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 CA-C-N 119.757 1.162 . . . . 0.0 112.462 -179.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -75.54 -32.08 60.31 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.321 0.964 . . . . 0.0 111.961 -172.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.69 -37.07 83.98 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.474 1.488 . . . . 0.0 111.875 171.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -32.81 70.82 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.461 -0.775 . . . . 0.0 111.631 173.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 7.3 t90 -60.56 -44.06 96.58 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.524 -0.735 . . . . 0.0 112.087 165.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.57 -31.99 57.86 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.693 1.616 . . . . 0.0 115.266 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -95.57 -13.06 24.73 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 118.283 1.041 . . . . 0.0 113.76 174.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.77 132.19 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.748 1.219 . . . . 0.0 111.491 -175.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -82.88 91.78 7.17 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.714 0.806 . . . . 0.0 109.184 172.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -54.76 -36.75 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 119.367 0.985 . . . . 0.0 113.563 -171.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.56 -54.71 31.86 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 118.906 0.776 . . . . 0.0 112.71 172.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -72.61 -56.2 5.7 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 119.36 -0.352 . . . . 0.0 110.198 -175.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -27.46 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 119.01 0.823 . . . . 0.0 112.782 179.074 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.9 -46.73 13.01 Favored Glycine 0 CA--C 1.527 0.823 0 CA-C-N 119.048 0.84 . . . . 0.0 112.256 175.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.99 -41.18 99.96 Favored Glycine 0 N--CA 1.468 0.804 0 CA-C-N 118.337 1.069 . . . . 0.0 112.757 171.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -54.55 -65.89 0.5 Allowed 'General case' 0 C--O 1.214 -0.791 0 C-N-CA 125.112 1.365 . . . . 0.0 109.455 167.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 27' ' ' ALA . . . . . 0.435 ' HA ' HG11 ' D' ' 113' ' ' VAL . . . -54.43 -52.05 63.0 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 121.021 1.737 . . . . 0.0 113.527 -176.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 24.5 tp -70.98 -39.74 72.31 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-O 118.266 -0.874 . . . . 0.0 111.432 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.08 -43.32 99.31 Favored Glycine 0 N--CA 1.468 0.787 0 CA-C-N 119.817 1.189 . . . . 0.0 111.72 171.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -40.84 55.94 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.735 1.614 . . . . 0.0 111.423 177.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 31' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' D' ' 106' ' ' LEU . 26.0 tp -49.63 -40.78 40.52 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 123.714 0.806 . . . . 0.0 112.032 176.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.92 -29.73 19.36 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 119.38 -0.343 . . . . 0.0 110.723 -176.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 1.4 m -67.35 -18.1 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.0 2.44 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 119.564 1.074 . . . . 0.0 113.378 168.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.65 39.21 0.6 Allowed Pre-proline 0 CA--C 1.563 1.48 0 C-N-CA 126.263 1.825 . . . . 0.0 114.756 -173.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -83.7 158.34 14.14 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 122.195 1.93 . . . . 0.0 111.738 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 32.9 p90 -48.22 -36.17 13.32 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.038 0.935 . . . . 0.0 113.136 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 2.4 m -49.85 -30.81 10.63 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.799 1.639 . . . . 0.0 114.228 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -58.57 -28.24 65.34 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -30.35 69.94 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.493 0.717 . . . . 0.0 112.519 -177.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -87.47 -4.47 59.0 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 176.108 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -89.71 8.64 30.65 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.811 0.845 . . . . 0.0 112.888 175.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -53.74 -31.65 49.2 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 120.455 -1.403 . . . . 0.0 113.328 170.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 48.4 p -59.3 -22.77 61.71 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.026 1.331 . . . . 0.0 114.343 175.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -79.54 -11.27 59.89 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.939 1.295 . . . . 0.0 112.999 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.71 -173.56 12.61 Favored Glycine 0 CA--C 1.537 1.436 0 CA-C-N 119.337 0.971 . . . . 0.0 113.557 -171.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 45.58 -124.34 1.18 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.493 1.117 . . . . 0.0 110.96 -170.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 tt 64.65 -21.94 0.08 Allowed 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 127.567 2.347 . . . . 0.0 116.091 173.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -50.62 -29.8 11.84 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.643 2.377 . . . . 0.0 113.686 173.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 10.9 p -127.68 155.02 77.79 Favored Pre-proline 0 N--CA 1.473 0.706 0 C-N-CA 124.384 1.074 . . . . 0.0 109.456 161.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -70.4 -33.0 14.94 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 121.065 1.177 . . . . 0.0 113.391 177.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -58.89 -38.93 79.99 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.061 0.846 . . . . 0.0 110.502 172.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.93 92.45 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 118.375 -0.821 . . . . 0.0 112.246 171.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.13 -34.29 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 CA-C-N 121.085 1.766 . . . . 0.0 113.4 177.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 2.0 ttm -74.3 -34.81 63.61 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.778 0.831 . . . . 0.0 113.171 176.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.48 -31.54 36.94 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.721 0.677 . . . . 0.0 114.246 176.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -49.77 116.45 6.17 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 126.048 1.739 . . . . 0.0 113.506 -171.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -62.56 -26.82 76.18 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.727 2.285 . . . . 0.0 113.292 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -65.87 -43.24 88.93 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.498 1.045 . . . . 0.0 112.117 174.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 26.3 t -69.9 -35.38 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 O-C-N 121.473 -0.767 . . . . 0.0 111.286 174.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -63.08 -51.85 65.02 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.836 1.198 . . . . 0.0 112.277 171.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.23 -46.82 87.45 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.361 1.064 . . . . 0.0 112.677 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -68.02 -35.26 77.99 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.097 -1.002 . . . . 0.0 112.466 175.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.98 -46.2 84.93 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 125.047 1.308 . . . . 0.0 112.702 169.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.79 -42.35 79.31 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 118.289 1.044 . . . . 0.0 111.905 169.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -65.89 -49.65 67.29 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 4.6 m -62.69 -39.73 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 120.033 1.288 . . . . 0.0 111.707 175.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 tt -71.21 -36.73 71.98 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 120.845 -1.16 . . . . 0.0 112.162 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.77 -35.69 75.82 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.674 1.131 . . . . 0.0 113.055 168.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.46 -45.57 75.59 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.264 -1.139 . . . . 0.0 112.426 168.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -58.02 -37.64 74.69 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 120.434 -1.416 . . . . 0.0 112.885 172.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 37.6 p -73.29 -36.85 66.37 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.55 1.068 . . . . 0.0 113.424 176.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -55.54 -35.51 65.77 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.324 0.966 . . . . 0.0 111.3 165.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.93 -63.85 4.93 Favored Glycine 0 C--N 1.339 0.697 0 C-N-CA 123.846 0.736 . . . . 0.0 111.349 167.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 mt -53.73 -21.63 7.56 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 177.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.05 -21.09 22.5 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.689 1.596 . . . . 0.0 114.859 175.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -139.59 41.86 2.02 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.439 1.496 . . . . 0.0 113.264 -171.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.88 -11.71 30.1 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.084 1.512 . . . . 0.0 115.084 177.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.43 -4.95 42.46 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.011 0.924 . . . . 0.0 113.335 170.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.45 -63.4 1.39 Allowed 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -171.197 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 50.91 -13.38 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 118.343 2.72 . . . . 0.0 118.343 -171.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -119.75 -57.53 1.96 Allowed 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.702 1.592 . . . . 0.0 111.105 -178.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.25 -39.37 94.51 Favored Glycine 0 CA--C 1.537 1.435 0 CA-C-N 118.876 0.762 . . . . 0.0 114.067 176.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 3.1 t -71.69 -18.98 62.13 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -121.55 5.69 10.08 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -175.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.98 -39.72 69.3 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 120.648 1.567 . . . . 0.0 113.479 -173.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 17.1 p -63.68 -44.1 94.74 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.931 1.292 . . . . 0.0 112.75 173.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 20.9 mt -68.49 -39.34 81.36 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.539 -0.726 . . . . 0.0 111.829 175.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -63.46 -38.48 91.3 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.244 1.018 . . . . 0.0 111.637 175.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -64.88 -49.78 69.14 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.196 -0.94 . . . . 0.0 112.107 170.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 12.5 tp -50.72 -54.69 21.17 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.14 0.976 . . . . 0.0 111.285 173.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -74.56 10.74 1.22 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.012 1.325 . . . . 0.0 114.239 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 41.9 t -130.47 -58.35 1.05 Allowed 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.934 -1.104 . . . . 0.0 111.704 174.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.65 -40.18 69.86 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.141 0.976 . . . . 0.0 112.893 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.71 -41.51 16.18 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.326 0.65 . . . . 0.0 112.447 178.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.99 82.24 1.44 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.596 1.558 . . . . 0.0 111.521 -176.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -66.22 28.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 126.997 2.119 . . . . 0.0 115.091 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 75.2 t -51.55 145.46 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 127.872 2.469 . . . . 0.0 112.392 -173.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -57.01 131.98 80.05 Favored Pre-proline 0 CA--C 1.553 1.06 0 O-C-N 121.555 -0.716 . . . . 0.0 112.877 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -49.44 -30.29 20.39 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 124.076 3.184 . . . . 0.0 115.49 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -42.72 -46.49 5.13 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.395 1.478 . . . . 0.0 113.897 170.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -64.97 -31.83 73.26 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.232 -0.918 . . . . 0.0 112.752 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -67.2 -45.72 76.06 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.961 0.904 . . . . 0.0 109.96 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 24.8 mtt85 -62.97 -38.54 91.52 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 122.04 -0.412 . . . . 0.0 111.635 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.33 -48.5 81.5 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.099 0.96 . . . . 0.0 112.708 172.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 106' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' D' ' 31' ' ' LEU . 1.4 tt -56.98 -42.5 80.34 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.876 0.762 . . . . 0.0 110.832 174.134 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.3 -63.52 5.21 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 124.348 0.975 . . . . 0.0 114.182 172.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -44.9 -49.27 11.08 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.108 1.763 . . . . 0.0 110.762 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 37.2 t -59.64 -52.55 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 123.653 0.781 . . . . 0.0 112.221 176.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 58.3 tp -56.37 -51.6 67.7 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 119.654 1.115 . . . . 0.0 110.938 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 111' ' ' VAL . . . . . 0.423 HG12 ' HB3' ' D' ' 130' ' ' TYR . 1.4 m -62.84 -31.52 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.796 -179.01 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 22.4 t -66.24 -42.68 88.28 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.289 0.495 . . . . 0.0 111.73 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 113' ' ' VAL . . . . . 0.435 HG11 ' HA ' ' D' ' 27' ' ' ALA 0.261 1.7 m -69.1 -37.39 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 120.679 -1.263 . . . . 0.0 112.472 -178.883 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.79 -36.43 83.87 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.693 -0.629 . . . . 0.0 110.89 172.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.6 -29.96 69.53 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 171.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 116' ' ' HIS . . . . . 0.461 ' CG ' ' CE2' ' C' ' 117' ' ' PHE . 0.8 OUTLIER -77.85 -50.01 13.12 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.579 1.081 . . . . 0.0 112.302 172.764 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.91 -19.14 61.97 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -167.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -129.08 41.26 3.5 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.157 1.783 . . . . 0.0 110.005 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -54.47 -23.02 25.84 Favored Glycine 0 N--CA 1.475 1.271 0 C-N-CA 126.063 1.792 . . . . 0.0 116.088 -177.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -79.75 -8.54 59.31 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 118.879 1.339 . . . . 0.0 113.794 173.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -128.83 3.93 5.41 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 127.364 2.266 . . . . 0.0 112.541 -173.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.85 26.79 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 127.161 2.184 . . . . 0.0 116.108 -171.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 29.1 p -46.3 144.48 3.18 Favored Pre-proline 0 N--CA 1.48 1.054 0 O-C-N 120.675 -1.266 . . . . 0.0 113.571 -165.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -40.42 -46.0 4.4 Favored 'Trans proline' 0 CA--C 1.548 1.182 0 C-N-CA 123.335 2.69 . . . . 0.0 116.121 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.83 -26.99 26.66 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 121.684 1.589 . . . . 0.0 115.074 173.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -44.78 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 121.9 2.136 . . . . 0.0 111.765 174.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -73.91 -28.28 61.45 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 118.289 -0.862 . . . . 0.0 112.48 175.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.38 -48.35 67.68 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 120.855 1.661 . . . . 0.0 111.688 170.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.41 81.71 Favored 'General case' 0 CA--C 1.527 0.074 0 C-N-CA 124.894 1.278 . . . . 0.0 111.483 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 130' ' ' TYR . . . . . 0.497 ' CE2' HG23 ' D' ' 11' ' ' VAL . 1.0 OUTLIER -54.67 -51.37 65.7 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 118.498 -0.763 . . . . 0.0 111.514 170.694 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.19 -36.1 74.74 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.856 1.207 . . . . 0.0 113.026 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -66.83 -44.0 82.25 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.714 1.143 . . . . 0.0 112.881 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.77 -39.83 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.024 -1.047 . . . . 0.0 112.413 172.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 20.0 t -60.83 -42.27 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.636 1.174 . . . . 0.0 111.972 176.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.0 96.75 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.686 1.194 . . . . 0.0 111.951 174.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -54.59 -49.8 59.73 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.747 -0.474 . . . . 0.0 112.135 169.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 3.7 t -58.33 -47.93 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 117.895 0.848 . . . . 0.0 112.159 172.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.96 -47.53 80.51 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 120.213 1.369 . . . . 0.0 111.836 178.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -66.48 -36.06 81.82 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.749 -0.595 . . . . 0.0 112.308 176.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.28 -48.57 79.3 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.074 -1.016 . . . . 0.0 112.578 173.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 8.9 mt -68.2 -27.79 66.69 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.182 -0.949 . . . . 0.0 111.782 177.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 142' ' ' ALA . . . . . 0.488 ' HA ' ' CE1' ' D' ' 145' ' ' TYR . . . -77.69 -6.79 55.12 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 168.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -62.66 -42.17 99.46 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 119.815 -1.803 . . . . 0.0 113.111 -167.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -9.51 3.83 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.447 1.499 . . . . 0.0 114.923 176.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 145' ' ' TYR . . . . . 0.488 ' CE1' ' HA ' ' D' ' 142' ' ' ALA . 1.7 m-30 -70.99 -27.05 63.42 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 119.388 0.995 . . . . 0.0 111.623 -177.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 60.5 m80 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.131 1.772 . . . . 0.0 112.788 177.908 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.496 HMA1 ' HB2' ' A' ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 201' ' ' HEC . . . . . 0.449 ' HHC' HBB3 ' B' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 201' ' ' HEC . . . . . 0.516 HMA1 ' HB2' ' C' ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 201' ' ' HEC . . . . . 0.453 ' HHC' HBB3 ' D' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.27 3.1 p . . . . . 0 N--CA 1.511 2.613 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 58.4 mt -141.98 165.9 26.18 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 120.683 1.583 . . . . 0.0 113.238 -172.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.21 165.66 25.3 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 126.891 2.076 . . . . 0.0 113.2 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -78.57 -49.75 0.08 OUTLIER 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.368 2.712 . . . . 0.0 114.245 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.78 -29.08 70.43 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.344 -0.847 . . . . 0.0 112.501 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -48.01 -61.36 2.01 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.914 1.286 . . . . 0.0 112.184 165.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -54.66 -47.07 74.03 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.746 0.818 . . . . 0.0 110.678 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.7 m -55.04 -49.28 71.98 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 118.95 0.796 . . . . 0.0 112.609 178.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -66.32 -37.66 85.88 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.068 0.849 . . . . 0.0 112.932 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.5 t -63.34 -48.42 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-O 118.732 -0.652 . . . . 0.0 110.925 174.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -58.21 -44.34 88.11 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.521 1.055 . . . . 0.0 111.354 174.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.9 -53.31 59.88 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.31 0.644 . . . . 0.0 111.671 176.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.17 -52.49 65.12 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.34 0.656 . . . . 0.0 111.57 176.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -62.27 -27.21 68.86 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.36 -41.95 97.91 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.625 1.107 . . . . 0.0 113.45 170.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -71.07 -35.93 72.09 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 118.538 1.169 . . . . 0.0 111.172 173.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.04 -43.02 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.445 1.098 . . . . 0.0 111.808 174.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.83 -142.65 7.16 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.51 1.052 . . . . 0.0 114.529 175.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.73 -21.84 63.38 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.313 -1.11 . . . . 0.0 113.951 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -66.35 -10.71 45.89 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.241 1.017 . . . . 0.0 113.372 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -44.95 -48.07 11.36 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.917 1.287 . . . . 0.0 113.531 177.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.53 -35.91 91.84 Favored Glycine 0 C--N 1.34 0.767 0 O-C-N 121.903 -0.498 . . . . 0.0 113.776 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.39 -46.66 82.35 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.453 1.101 . . . . 0.0 110.047 175.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -63.96 -36.2 83.18 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.855 0.862 . . . . 0.0 111.891 176.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.95 -46.39 81.89 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-N 118.783 0.72 . . . . 0.0 112.838 171.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.71 92.71 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.228 1.014 . . . . 0.0 111.605 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.04 -41.39 98.06 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 123.634 0.774 . . . . 0.0 111.728 173.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.09 93.66 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.5 1.045 . . . . 0.0 112.603 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.2 mt -66.47 -50.79 62.14 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.601 1.16 . . . . 0.0 112.111 174.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -57.39 -45.52 84.42 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.442 -0.787 . . . . 0.0 111.822 177.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -47.62 79.04 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.272 1.829 . . . . 0.0 112.156 171.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.9 ttp -57.77 -49.61 76.03 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.765 174.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -61.32 -40.19 93.31 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.601 0.964 . . . . 0.0 113.601 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -83.89 -29.97 26.76 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.9 m -68.58 -43.96 75.4 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 119.804 1.184 . . . . 0.0 112.396 170.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -127.61 81.24 70.56 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 125.906 1.683 . . . . 0.0 109.802 -174.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.11 -27.49 17.18 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.984 3.123 . . . . 0.0 115.052 175.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 p -51.8 -35.98 46.05 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.724 1.21 . . . . 0.0 113.161 170.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.2 p -64.01 -28.11 69.58 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 174.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -63.12 -37.29 86.64 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.665 1.12 . . . . 0.0 112.535 177.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -32.4 73.93 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 121.189 -0.944 . . . . 0.0 113.063 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -62.8 -26.38 68.7 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -156.64 110.94 2.0 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 123.601 0.76 . . . . 0.0 109.921 161.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.89 -133.66 0.01 OUTLIER 'Trans proline' 0 CA--C 1.547 1.145 0 C-N-CA 123.876 3.051 . . . . 0.0 109.567 171.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 p80 58.13 -11.77 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 127.651 2.38 . . . . 0.0 116.823 -174.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -72.36 114.97 11.05 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.491 1.917 . . . . 0.0 112.45 176.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -80.61 69.83 7.2 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.355 1.462 . . . . 0.0 111.202 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.8 mt -69.71 31.86 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 125.874 1.67 . . . . 0.0 114.789 -175.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.4 m -72.71 7.76 1.79 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 127.334 2.254 . . . . 0.0 114.966 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.4 m170 75.89 124.09 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 129.032 2.933 . . . . 0.0 112.641 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.97 1.96 59.58 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 124.908 1.242 . . . . 0.0 114.997 -175.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -53.9 116.93 2.81 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.705 2.002 . . . . 0.0 114.838 -171.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.65 -37.11 72.81 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.518 1.127 . . . . 0.0 113.451 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -68.2 -31.51 71.08 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 176.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.6 t -72.92 -48.5 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 119.87 1.214 . . . . 0.0 110.837 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -60.11 -42.08 93.96 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.357 0.526 . . . . 0.0 111.638 173.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.38 -48.76 79.96 Favored Glycine 0 N--CA 1.47 0.911 0 C-N-CA 124.127 0.87 . . . . 0.0 113.06 175.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -58.65 -42.94 89.53 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.923 1.361 . . . . 0.0 111.789 173.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.9 -50.68 49.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 121.45 -0.781 . . . . 0.0 113.589 170.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -55.11 -44.99 75.45 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.311 1.044 . . . . 0.0 112.215 172.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -63.46 -50.65 68.89 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.988 0.915 . . . . 0.0 112.502 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 80.4 t -54.57 -47.45 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-N 118.98 0.809 . . . . 0.0 110.785 174.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.477 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -62.89 -41.26 99.36 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.81 -38.69 91.72 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 118.941 0.792 . . . . 0.0 111.422 175.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.498 ' HB1' HD11 ' A' ' 83' ' ' LEU . . . -66.13 -30.3 70.76 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 169.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.47 -43.43 94.23 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.863 1.21 . . . . 0.0 110.904 167.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.0 m -58.88 -46.28 88.2 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.36 1.436 . . . . 0.0 112.686 170.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -30.52 69.8 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.034 -1.041 . . . . 0.0 112.973 179.172 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.61 -56.97 14.1 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 124.241 1.016 . . . . 0.0 110.554 163.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.5 t -53.05 -41.56 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-N 119.584 1.084 . . . . 0.0 112.845 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.5 -23.87 67.58 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -138.35 29.77 2.43 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.406 1.482 . . . . 0.0 111.827 -172.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.1 p -62.67 -30.22 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -162.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -78.08 -15.09 59.2 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 173.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.3 17.46 10.64 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 127.946 2.499 . . . . 0.0 111.178 -173.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.3 ttp -55.96 -29.42 5.72 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 126.403 1.881 . . . . 0.0 115.899 -170.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -50.25 23.53 0.02 OUTLIER 'Trans proline' 0 CA--C 1.551 1.354 1 C-N-CA 126.638 4.892 . . . . 0.0 119.123 161.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -150.2 -35.98 0.16 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.759 2.024 . . . . 0.0 111.066 169.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.89 -33.91 65.04 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 176.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 mt -96.81 7.51 46.44 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -175.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -55.39 -38.47 68.91 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 120.705 1.593 . . . . 0.0 114.67 -175.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.95 73.52 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.949 -1.094 . . . . 0.0 112.634 172.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.498 HD11 ' HB1' ' A' ' 65' ' ' ALA . 2.3 mt -79.64 -31.04 41.48 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.577 1.151 . . . . 0.0 111.216 179.1 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.0 t -54.8 -49.52 70.77 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 117.731 -1.128 . . . . 0.0 110.813 162.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -57.26 -36.67 71.27 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 120.396 1.453 . . . . 0.0 113.553 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -56.83 -62.01 2.04 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.984 0.811 . . . . 0.0 111.024 170.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.63 -25.65 66.69 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.012 -1.055 . . . . 0.0 113.77 -178.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.3 -33.37 16.13 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.896 1.225 . . . . 0.0 113.521 -173.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -135.06 2.71 3.1 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -169.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -135.98 -17.97 1.61 Allowed 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.8 mt -141.34 -46.66 0.38 Allowed 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 116.493 2.034 . . . . 0.0 116.493 -172.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 46.68 32.64 1.78 Allowed 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 126.418 1.887 . . . . 0.0 115.596 -176.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.36 142.05 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.319 1.047 . . . . 0.0 111.955 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -58.56 131.65 85.44 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 124.999 1.32 . . . . 0.0 111.801 172.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -45.16 -19.91 0.39 Allowed 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 124.698 3.599 . . . . 0.0 116.84 173.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.2 p -47.93 -40.61 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 O-C-N 120.172 -1.58 . . . . 0.0 113.361 170.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.492 ' HB3' HMC1 ' A' ' 201' ' ' HEC . 3.0 m120 -63.38 -33.93 76.62 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.117 -0.99 . . . . 0.0 112.378 174.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -57.96 -49.62 76.19 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 119.501 1.046 . . . . 0.0 109.326 173.341 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -57.79 -40.33 79.62 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.982 0.896 . . . . 0.0 111.109 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.24 -51.11 62.94 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.764 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.2 tp -57.72 -47.92 81.04 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.649 -0.657 . . . . 0.0 112.708 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.3 p -63.57 -43.39 97.14 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.303 0.956 . . . . 0.0 111.683 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -58.46 -52.12 66.95 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 122.692 0.397 . . . . 0.0 110.621 172.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 92.7 m -60.28 -32.68 71.41 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.4 mt -68.34 -48.31 65.2 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 124.258 1.023 . . . . 0.0 111.863 173.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.0 mt -54.69 -40.53 69.25 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.426 -0.796 . . . . 0.0 110.652 173.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.6 -45.77 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 124.033 0.933 . . . . 0.0 112.826 174.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.6 p -67.58 -32.12 72.65 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.276 1.398 . . . . 0.0 112.333 177.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.71 -45.22 90.97 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.155 0.889 . . . . 0.0 111.059 169.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.07 -32.81 64.45 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.26 -12.42 61.58 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 177.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -128.48 -16.89 4.27 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -173.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.1 mp -114.4 124.63 30.38 Favored Pre-proline 0 CA--C 1.557 1.223 0 C-N-CA 124.907 1.283 . . . . 0.0 109.099 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -40.2 -61.03 0.49 Allowed 'Trans proline' 0 C--N 1.357 1.003 1 C-N-CA 125.689 4.259 . . . . 0.0 118.0 -159.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -132.63 40.8 3.24 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 125.275 1.43 . . . . 0.0 108.86 176.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -21.29 6.13 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 -164.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.401 ' HA ' ' HB2' ' A' ' 122' ' ' HIS . 13.0 p90 -62.97 7.99 0.07 Allowed 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 165.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.9 149.84 5.91 Favored Pre-proline 0 N--CA 1.477 0.923 0 CA-C-N 120.777 1.626 . . . . 0.0 111.398 -178.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -48.98 -39.87 40.49 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.513 2.142 . . . . 0.0 114.83 173.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.12 -60.14 2.38 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 174.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.94 -38.05 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 120.877 -1.14 . . . . 0.0 112.695 -169.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.438 ' CD2' HG22 ' B' ' 34' ' ' VAL . 1.7 t60 -78.34 -43.67 27.16 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 125.349 1.46 . . . . 0.0 113.628 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.23 -48.4 76.55 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-N 119.876 1.216 . . . . 0.0 109.499 172.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.7 m -53.59 -63.29 1.2 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.709 0.804 . . . . 0.0 112.042 173.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 37.3 mt -61.22 -40.81 95.38 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 120.473 -1.392 . . . . 0.0 113.956 -175.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.04 -48.94 74.3 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.264 1.393 . . . . 0.0 111.678 177.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -28.44 65.83 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 118.727 0.694 . . . . 0.0 112.747 178.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -67.92 -45.53 74.09 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.504 1.047 . . . . 0.0 111.446 169.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.27 -31.08 69.89 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.335 -1.478 . . . . 0.0 111.417 170.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.87 65.85 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 172.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 79.0 p -78.57 -42.28 29.6 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.397 -1.439 . . . . 0.0 111.658 170.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 73.0 t -50.43 -54.46 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.615 1.166 . . . . 0.0 109.582 169.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 87.0 p -63.63 -46.75 84.27 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.9 m -48.44 -51.66 25.82 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 118.848 0.749 . . . . 0.0 110.566 173.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 91.4 t -67.35 -43.27 87.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 118.391 0.542 . . . . 0.0 111.367 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -32.05 65.3 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.2 0.909 . . . . 0.0 113.049 175.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 98.8 m -93.85 -7.9 41.92 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.227 2.211 . . . . 0.0 112.929 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.6 t -142.25 77.96 1.6 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.195 1.398 . . . . 0.0 111.551 -171.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -136.93 23.75 3.06 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.866 1.266 . . . . 0.0 113.392 -177.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -72.27 133.58 45.12 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.381 -0.824 . . . . 0.0 110.259 173.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 . . . . . 0 C--O 1.254 1.292 0 C-N-CA 126.099 1.76 . . . . 0.0 111.529 173.793 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' VAL . . . . . 0.457 HG13 ' H ' ' B' ' 2' ' ' HIS 0.312 5.2 p . . . . . 0 N--CA 1.516 2.856 0 CA-C-O 116.995 -1.478 . . . . 0.0 112.919 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 2' ' ' HIS . . . . . 0.457 ' H ' HG13 ' B' ' 1' ' ' VAL . 44.4 m80 20.2 70.84 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 128.213 2.605 . . . . 0.0 115.266 -177.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.38 156.84 12.09 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.036 0.534 . . . . 0.0 111.286 -177.283 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.58 147.29 83.79 Favored Pre-proline 0 N--CA 1.479 1.003 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 162.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -50.77 -38.45 56.78 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 123.099 2.533 . . . . 0.0 114.863 175.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -73.84 -36.04 64.87 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.875 0.761 . . . . 0.0 111.875 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.32 -41.05 81.39 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.502 -0.749 . . . . 0.0 111.393 171.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -54.9 -50.89 67.64 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.894 0.877 . . . . 0.0 110.736 170.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 45.4 m -55.61 -43.12 75.8 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.449 1.022 . . . . 0.0 112.137 174.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.11 -48.43 80.22 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 177.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.6 p -69.06 -55.45 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 CA-C-N 119.459 1.027 . . . . 0.0 112.461 174.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -68.45 -34.77 76.55 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.696 -1.252 . . . . 0.0 112.678 -169.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.25 -37.6 85.88 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.683 1.129 . . . . 0.0 112.207 174.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 tt -67.92 -35.39 78.37 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.456 -0.777 . . . . 0.0 111.106 172.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' TRP . . . . . 0.4 ' CZ2' ' CD1' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -61.49 -32.02 72.02 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 167.753 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.55 -37.38 93.25 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.303 0.954 . . . . 0.0 114.012 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -90.4 -16.94 28.13 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 176.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.68 135.44 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 123.838 0.855 . . . . 0.0 112.603 -167.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -87.08 87.91 7.57 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.806 0.842 . . . . 0.0 109.255 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.513 HG13 HD22 ' B' ' 68' ' ' LEU . 70.3 t -52.78 -38.9 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 CA-C-N 119.574 1.079 . . . . 0.0 113.864 -170.172 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -45.39 76.32 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.898 0.772 . . . . 0.0 112.789 175.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -79.31 -52.87 7.54 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.834 -0.541 . . . . 0.0 110.762 -175.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.97 -30.93 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 123.73 0.812 . . . . 0.0 111.825 175.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.21 -45.74 18.44 Favored Glycine 0 C--N 1.342 0.865 0 CA-C-N 119.395 0.998 . . . . 0.0 112.067 177.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.55 -45.11 96.93 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 117.926 0.863 . . . . 0.0 112.538 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.15 -29.48 68.38 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 118.083 -0.961 . . . . 0.0 112.08 174.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.525 ' HA ' HG11 ' B' ' 113' ' ' VAL . . . -68.97 -62.28 1.45 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 121.189 1.813 . . . . 0.0 111.693 172.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.4 tp -64.05 -37.37 87.18 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.745 -0.597 . . . . 0.0 110.448 -176.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.685 ' O ' HG13 ' B' ' 33' ' ' VAL . . . -48.78 -62.8 4.27 Favored Glycine 0 CA--C 1.525 0.692 0 CA-C-O 118.239 -1.312 . . . . 0.0 112.012 161.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -50.54 -26.13 4.88 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 120.229 2.015 . . . . 0.0 114.261 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tt -77.73 -51.11 11.08 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 120.507 1.503 . . . . 0.0 111.462 169.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -76.72 -8.9 58.16 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.906 -1.121 . . . . 0.0 113.113 -176.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.685 HG13 ' O ' ' B' ' 29' ' ' GLY . 3.0 m -74.91 -26.44 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 119.842 1.201 . . . . 0.0 114.186 172.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.438 HG22 ' CD2' ' A' ' 122' ' ' HIS . 0.3 OUTLIER -76.12 1.42 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 CA-C-N 119.874 1.215 . . . . 0.0 113.846 -167.041 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.4 42.32 1.24 Allowed Pre-proline 0 CA--C 1.557 1.242 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -162.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -73.88 164.23 35.11 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.49 2.127 . . . . 0.0 111.78 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -54.38 -32.84 57.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.438 1.095 . . . . 0.0 113.422 168.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 16.8 p -57.74 -20.59 35.9 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 120.606 -1.309 . . . . 0.0 113.638 173.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -60.03 -16.63 32.64 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 171.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.28 -41.81 19.62 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 121.461 1.937 . . . . 0.0 112.083 169.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -74.66 3.22 8.21 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 0.405 ' HB2' HD13 ' B' ' 48' ' ' LEU . 6.2 p90 -50.52 -23.16 2.32 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -179.172 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -50.54 -33.95 23.58 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 171.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.23 6.23 26.88 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 176.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -123.96 23.74 8.48 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.306 1.842 . . . . 0.0 111.206 -174.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.27 -97.2 0.03 OUTLIER Glycine 0 CA--C 1.539 1.569 0 C-N-CA 125.935 1.731 . . . . 0.0 116.052 168.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.79 -94.45 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 125.602 1.561 . . . . 0.0 112.788 -174.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.405 HD13 ' HB2' ' B' ' 42' ' ' PHE . 10.2 tt 58.46 -23.33 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 129.199 2.999 . . . . 0.0 118.023 174.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 59.3 p -53.81 -17.03 2.04 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 127.669 2.388 . . . . 0.0 115.939 -175.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 13.7 p -135.46 159.62 70.93 Favored Pre-proline 0 N--CA 1.472 0.672 0 C-N-CA 125.683 1.593 . . . . 0.0 111.604 166.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -57.61 -50.07 11.68 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.447 2.764 . . . . 0.0 114.451 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.29 -34.62 75.51 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.696 -0.627 . . . . 0.0 112.246 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.15 -51.26 70.37 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.458 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.81 -31.63 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 CA-C-N 121.294 1.861 . . . . 0.0 114.215 -174.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 6.1 ptp -90.6 -18.0 25.93 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 177.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.64 -14.1 55.86 Favored Glycine 0 CA--C 1.541 1.682 0 C-N-CA 124.238 0.923 . . . . 0.0 114.488 170.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -65.26 120.77 70.25 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 127.178 2.191 . . . . 0.0 113.308 -173.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -63.3 -32.53 72.76 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.783 2.322 . . . . 0.0 112.729 -177.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 38.9 tttp -70.55 -38.77 74.21 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.82 0.848 . . . . 0.0 112.309 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 72.6 t -65.9 -41.89 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.63 -0.669 . . . . 0.0 111.04 171.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -65.72 -44.23 86.66 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.472 1.033 . . . . 0.0 111.624 175.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.54 -50.19 73.67 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.673 1.124 . . . . 0.0 113.362 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -64.62 -35.85 82.36 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.002 -1.062 . . . . 0.0 111.629 173.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.57 -48.53 84.01 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 124.426 1.012 . . . . 0.0 112.78 173.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -58.25 -39.03 78.09 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.487 1.115 . . . . 0.0 111.999 171.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -66.82 -53.0 37.19 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.188 0.995 . . . . 0.0 113.374 175.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 4.5 m -60.14 -38.31 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 120.234 1.379 . . . . 0.0 111.61 176.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.513 HD22 HG13 ' B' ' 20' ' ' VAL . 7.0 tt -69.2 -44.97 71.03 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.403 -0.811 . . . . 0.0 111.903 175.374 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.73 -41.75 75.9 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.825 1.202 . . . . 0.0 112.029 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.29 89.89 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 171.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.4 ' CD1' ' CZ2' ' B' ' 15' ' ' TRP . 7.4 t80 -55.77 -41.58 74.23 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.884 -1.135 . . . . 0.0 112.1 170.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -63.74 -44.08 94.58 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.193 0.997 . . . . 0.0 112.228 176.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -30.31 66.21 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.761 1.224 . . . . 0.0 111.85 170.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.53 -63.2 5.44 Favored Glycine 0 C--N 1.34 0.753 0 C-N-CA 125.002 1.287 . . . . 0.0 110.659 169.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.56 -32.09 62.7 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.814 1.307 . . . . 0.0 113.833 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.84 -28.91 67.95 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 173.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -142.78 45.1 1.59 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.488 1.515 . . . . 0.0 113.183 -169.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.76 -19.66 59.69 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 120.774 -1.204 . . . . 0.0 113.987 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.85 -40.44 21.43 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.607 1.963 . . . . 0.0 114.041 177.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -157.29 134.39 10.29 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.303 1.041 . . . . 0.0 111.22 169.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 48.1 mt -104.15 -43.4 5.26 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.35 0.66 . . . . 0.0 112.142 -173.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -57.61 -24.84 58.56 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 125.541 1.536 . . . . 0.0 113.929 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.94 4.04 58.91 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 126.235 1.874 . . . . 0.0 115.429 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.23 -19.84 5.43 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.098 1.449 . . . . 0.0 113.529 173.22 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -106.83 13.3 28.0 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.681 1.193 . . . . 0.0 113.875 174.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.41 -40.14 64.88 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.93 1.241 . . . . 0.0 113.753 -177.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 6.2 p -64.42 -42.45 96.03 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.443 1.097 . . . . 0.0 112.664 173.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 15.4 mt -70.07 -32.79 71.05 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.702 -0.623 . . . . 0.0 112.026 175.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 7.3 t -62.93 -46.65 86.76 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.035 0.934 . . . . 0.0 111.31 172.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -62.71 -37.95 88.51 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.245 -0.91 . . . . 0.0 112.728 171.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.54 -56.66 17.6 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.557 -1.339 . . . . 0.0 111.953 174.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -73.96 -21.96 59.81 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 37.9 t -97.41 -53.3 3.5 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 174.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -85.83 -38.57 17.99 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.62 1.555 . . . . 0.0 113.264 -171.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -85.5 -28.65 24.84 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 77.1 mt -119.44 -39.59 2.87 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -174.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 50.89 18.09 0.48 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 127.646 2.378 . . . . 0.0 116.316 -178.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 1.3 m -52.02 140.96 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.015 1.726 . . . . 0.0 112.672 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.07 136.27 96.61 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-O 119.13 -0.462 . . . . 0.0 112.22 -175.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -48.78 -35.27 30.18 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.12 3.214 . . . . 0.0 116.599 -175.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -50.25 -30.39 11.6 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.32 -1.488 . . . . 0.0 113.274 173.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -62.76 -37.79 88.0 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.328 1.051 . . . . 0.0 111.597 176.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' PHE . . . . . 0.473 ' CD1' ' HB1' ' B' ' 138' ' ' ALA . 0.4 OUTLIER -61.59 -46.26 90.6 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.625 1.102 . . . . 0.0 110.513 172.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ARG . . . . . 0.407 ' N ' ' CD1' ' B' ' 103' ' ' PHE . 8.3 tpm_? -64.65 -36.9 85.75 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.922 0.889 . . . . 0.0 110.166 -173.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -47.6 85.64 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.175 0.99 . . . . 0.0 111.911 170.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -38.24 85.4 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.431 1.014 . . . . 0.0 111.403 176.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 107' ' ' GLY . . . . . 0.415 ' O ' HG13 ' B' ' 111' ' ' VAL . . . -64.05 -54.42 30.5 Favored Glycine 0 N--CA 1.466 0.69 0 O-C-N 121.51 -0.744 . . . . 0.0 113.236 174.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -58.11 -32.02 67.7 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 118.04 0.92 . . . . 0.0 111.536 177.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 6.7 t -63.67 -57.02 13.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 120.869 -1.144 . . . . 0.0 112.052 167.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 48.4 tp -56.35 -45.49 80.4 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 119.362 0.983 . . . . 0.0 111.796 -176.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.676 HG12 ' HB3' ' B' ' 130' ' ' TYR . 2.6 m -61.7 -26.7 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 121.452 -0.78 . . . . 0.0 112.389 178.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 20.3 t -94.21 -35.11 12.63 Favored 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -172.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' VAL . . . . . 0.525 HG11 ' HA ' ' B' ' 27' ' ' ALA . 0.2 OUTLIER -55.84 -38.57 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-N 120.106 1.321 . . . . 0.0 110.183 167.339 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 35.7 mt -64.0 -43.54 95.37 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.129 0.422 . . . . 0.0 111.357 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.02 -21.92 65.29 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 170.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.98 -60.01 2.51 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.128 0.876 . . . . 0.0 111.103 167.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -66.82 -26.0 66.72 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.606 0.639 . . . . 0.0 112.418 -170.365 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -129.99 39.38 3.69 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.857 1.663 . . . . 0.0 110.282 -175.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -49.05 -40.32 27.92 Favored Glycine 0 N--CA 1.474 1.192 0 C-N-CA 125.171 1.367 . . . . 0.0 114.629 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -9.6 5.49 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 171.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -134.82 11.09 3.66 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.163 1.785 . . . . 0.0 113.078 -176.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.16 27.14 0.06 Allowed 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -168.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 18.9 p -43.46 144.73 1.22 Allowed Pre-proline 0 N--CA 1.485 1.298 0 CA-C-N 120.23 1.377 . . . . 0.0 114.375 -159.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -41.64 -47.38 6.06 Favored 'Trans proline' 0 CA--C 1.546 1.108 0 C-N-CA 122.951 2.434 . . . . 0.0 115.444 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.58 -23.75 31.28 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 121.911 1.741 . . . . 0.0 115.229 173.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.44 -47.96 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 121.135 1.789 . . . . 0.0 110.413 173.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -64.26 -43.75 93.89 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.247 -0.908 . . . . 0.0 111.524 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.79 -32.6 69.47 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.386 0.675 . . . . 0.0 112.562 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.67 -52.18 22.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.429 0.691 . . . . 0.0 110.419 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.676 ' HB3' HG12 ' B' ' 111' ' ' VAL . 45.6 m-85 -53.67 -46.87 70.76 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.517 0.599 . . . . 0.0 112.052 172.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -59.81 -39.25 84.37 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 117.912 -1.042 . . . . 0.0 112.971 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.34 -39.85 89.46 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 120.283 1.401 . . . . 0.0 113.377 172.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 17.5 t -65.88 -47.31 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 CA-C-N 119.754 1.161 . . . . 0.0 111.084 174.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.64 -40.84 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.223 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.76 -44.66 86.31 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.997 1.271 . . . . 0.0 111.22 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -60.08 -54.56 36.39 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 121.784 -0.573 . . . . 0.0 112.993 171.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -44.46 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 118.353 1.076 . . . . 0.0 110.465 -177.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 138' ' ' ALA . . . . . 0.473 ' HB1' ' CD1' ' B' ' 103' ' ' PHE . . . -65.04 -41.74 94.96 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.579 1.152 . . . . 0.0 113.315 176.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -64.55 -19.55 65.69 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.416 1.007 . . . . 0.0 112.404 172.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.35 24.26 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.095 -1.003 . . . . 0.0 111.897 165.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.38 -27.65 69.23 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.551 -1.343 . . . . 0.0 112.799 174.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -75.11 -15.58 60.59 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.611 1.964 . . . . 0.0 113.922 172.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -52.87 -44.76 67.07 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.943 1.701 . . . . 0.0 114.286 -173.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -68.94 -15.0 63.37 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 173.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -102.35 -19.35 15.02 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 126.595 1.958 . . . . 0.0 113.281 178.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . 0.283 0.2 OUTLIER . . . . . 0 C--O 1.257 1.497 0 C-N-CA 128.787 2.835 . . . . 0.0 114.973 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.272 3.0 p . . . . . 0 N--CA 1.513 2.698 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 58.6 mt -141.96 165.98 25.97 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 120.645 1.566 . . . . 0.0 113.282 -172.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.35 165.79 24.37 Favored Pre-proline 0 N--CA 1.479 0.983 0 C-N-CA 126.826 2.051 . . . . 0.0 113.15 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -78.76 -49.74 0.08 OUTLIER 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 123.362 2.708 . . . . 0.0 114.138 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.72 -29.19 70.48 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 121.367 -0.833 . . . . 0.0 112.408 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -47.93 -61.43 1.96 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.856 1.262 . . . . 0.0 112.2 165.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -54.51 -47.25 73.3 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.82 0.848 . . . . 0.0 110.599 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 56.5 m -54.99 -49.23 72.01 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 118.819 0.736 . . . . 0.0 112.6 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -66.44 -37.43 85.14 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.997 0.817 . . . . 0.0 112.993 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 84.9 t -63.5 -48.34 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 118.753 -0.641 . . . . 0.0 110.922 174.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -58.32 -44.27 88.55 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.496 1.044 . . . . 0.0 111.284 174.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.88 -53.36 59.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.376 0.671 . . . . 0.0 111.661 176.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.2 -52.42 65.38 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.225 0.61 . . . . 0.0 111.598 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -62.21 -27.34 68.91 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.25 -42.03 98.03 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.613 1.101 . . . . 0.0 113.42 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -70.98 -36.01 72.33 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 118.592 1.196 . . . . 0.0 111.195 173.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.97 -43.0 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.436 1.094 . . . . 0.0 111.856 174.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.78 -142.6 7.12 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.501 1.048 . . . . 0.0 114.568 175.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.72 -21.82 63.34 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -66.26 -10.91 46.78 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.344 1.058 . . . . 0.0 113.394 177.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.481 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -44.8 -48.22 10.94 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.88 1.272 . . . . 0.0 113.589 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.27 -36.12 92.39 Favored Glycine 0 N--CA 1.467 0.748 0 O-C-N 121.893 -0.505 . . . . 0.0 113.859 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.38 -46.51 83.0 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.395 1.078 . . . . 0.0 110.11 175.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -64.04 -36.2 83.23 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.75 0.82 . . . . 0.0 111.972 176.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.88 -46.36 82.66 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-N 118.67 0.668 . . . . 0.0 112.862 171.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.75 92.54 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.194 0.997 . . . . 0.0 111.602 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.97 -41.39 97.96 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 123.592 0.757 . . . . 0.0 111.86 173.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.18 -39.02 93.45 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.347 0.976 . . . . 0.0 112.671 176.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 45.5 mt -66.46 -50.83 62.01 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.632 1.173 . . . . 0.0 112.079 173.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -57.33 -45.59 84.12 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.363 -0.836 . . . . 0.0 111.786 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -47.47 79.95 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.18 1.792 . . . . 0.0 112.088 172.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 62.9 ttp -57.76 -49.64 75.92 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 118.69 0.677 . . . . 0.0 111.772 174.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -61.31 -40.25 93.5 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 pp -84.0 -29.63 26.81 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 66.2 m -68.65 -44.1 74.84 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.79 1.177 . . . . 0.0 112.316 170.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -127.58 81.28 70.46 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 125.89 1.676 . . . . 0.0 109.72 -174.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -50.1 -27.36 16.84 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.815 3.01 . . . . 0.0 115.193 175.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 2.2 p -51.92 -35.84 46.95 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.78 1.232 . . . . 0.0 113.122 170.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 69.7 p -64.33 -27.82 69.29 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -63.18 -37.26 86.54 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.619 1.099 . . . . 0.0 112.527 177.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.19 -32.27 73.79 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 121.179 -0.951 . . . . 0.0 113.016 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -62.81 -26.35 68.7 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -176.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -156.78 110.85 1.97 Allowed Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 123.446 0.699 . . . . 0.0 109.813 161.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -74.81 -133.77 0.01 OUTLIER 'Trans proline' 0 CA--C 1.549 1.253 0 C-N-CA 123.817 3.012 . . . . 0.0 109.552 171.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 p80 58.32 -11.85 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 127.579 2.352 . . . . 0.0 116.709 -174.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -72.29 114.95 10.95 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.523 1.929 . . . . 0.0 112.418 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -80.67 69.87 7.29 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.326 1.45 . . . . 0.0 111.148 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 36.8 mt -69.54 31.82 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.872 1.669 . . . . 0.0 114.836 -175.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 33.9 m -72.89 7.96 1.77 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.283 2.233 . . . . 0.0 114.962 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 12.5 m170 75.61 124.3 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 129.106 2.963 . . . . 0.0 112.657 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.92 2.04 59.64 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 124.909 1.243 . . . . 0.0 114.986 -175.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -53.98 117.01 2.87 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.835 2.054 . . . . 0.0 114.681 -170.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.72 -37.17 73.06 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.512 1.125 . . . . 0.0 113.373 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -68.17 -31.61 71.28 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 176.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 64.5 t -72.95 -48.34 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 119.897 1.226 . . . . 0.0 110.857 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -60.27 -41.92 94.29 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.338 0.517 . . . . 0.0 111.721 173.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.43 -48.67 80.44 Favored Glycine 0 N--CA 1.469 0.89 0 C-N-CA 124.168 0.889 . . . . 0.0 113.106 175.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -58.71 -43.05 90.0 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.868 1.334 . . . . 0.0 111.681 173.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.84 -50.69 49.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 121.437 -0.79 . . . . 0.0 113.581 170.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -55.06 -45.01 75.26 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.268 1.027 . . . . 0.0 112.201 172.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -63.6 -50.45 69.38 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.876 0.871 . . . . 0.0 112.512 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 80.6 t -54.74 -47.25 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.841 0.746 . . . . 0.0 110.859 174.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 63' ' ' ALA . . . . . 0.481 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -62.89 -41.29 99.37 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 178.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.96 -38.46 91.19 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.77 0.713 . . . . 0.0 111.394 175.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 65' ' ' ALA . . . . . 0.475 ' HB1' HD11 ' C' ' 83' ' ' LEU . . . -66.22 -30.35 70.78 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 169.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.46 -43.42 94.3 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.894 1.225 . . . . 0.0 111.001 167.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 29.8 m -58.8 -46.39 87.7 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 120.266 1.394 . . . . 0.0 112.662 170.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -30.58 69.96 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.002 -1.061 . . . . 0.0 112.941 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.79 -56.77 16.0 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.269 1.028 . . . . 0.0 110.441 163.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 71.4 t -53.14 -41.54 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.709 1.14 . . . . 0.0 112.674 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.64 -23.88 67.56 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -138.3 29.67 2.45 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.442 1.497 . . . . 0.0 111.87 -172.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 12.9 p -62.76 -30.18 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -162.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -78.02 -15.14 59.19 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 173.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.3 17.5 10.64 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.883 2.473 . . . . 0.0 111.053 -173.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 13.3 ttp -55.91 -29.53 5.91 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 126.359 1.864 . . . . 0.0 115.906 -170.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -50.05 23.39 0.02 OUTLIER 'Trans proline' 0 CA--C 1.553 1.426 1 C-N-CA 126.743 4.962 . . . . 0.0 119.09 161.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -150.18 -36.05 0.16 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.745 2.018 . . . . 0.0 111.014 169.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.77 -33.97 64.82 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 mt -96.83 7.6 46.24 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -175.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 67.3 m -55.47 -38.38 69.02 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 120.672 1.578 . . . . 0.0 114.601 -175.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.09 -32.84 73.43 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.913 -1.117 . . . . 0.0 112.677 172.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 83' ' ' LEU . . . . . 0.475 HD11 ' HB1' ' C' ' 65' ' ' ALA . 2.3 mt -79.78 -31.0 40.82 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.624 1.17 . . . . 0.0 111.206 179.061 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 45.1 t -54.82 -49.62 70.57 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 117.74 -1.124 . . . . 0.0 110.767 162.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -57.19 -36.69 71.13 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.45 1.477 . . . . 0.0 113.572 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -56.76 -62.23 1.88 Allowed 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.023 0.829 . . . . 0.0 110.853 170.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.57 -25.5 66.67 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -178.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.49 -33.2 16.04 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.926 1.239 . . . . 0.0 113.547 -173.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -135.19 2.79 3.08 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 -169.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -135.98 -18.2 1.6 Allowed 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 16.7 mt -141.23 -46.46 0.38 Allowed 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 116.539 2.051 . . . . 0.0 116.539 -172.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 46.46 32.62 1.65 Allowed 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 126.413 1.885 . . . . 0.0 115.708 -176.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 95.3 t -71.3 142.09 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.392 1.077 . . . . 0.0 111.93 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -58.65 131.74 85.74 Favored Pre-proline 0 CA--C 1.554 1.131 0 C-N-CA 125.051 1.34 . . . . 0.0 111.693 172.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -45.22 -19.84 0.4 Allowed 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.765 3.643 . . . . 0.0 116.793 173.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 10.2 p -47.92 -40.71 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 120.105 -1.622 . . . . 0.0 113.402 170.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 97' ' ' ASN . . . . . 0.491 ' HB3' HMC1 ' C' ' 201' ' ' HEC . 3.0 m120 -63.38 -33.9 76.56 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.198 -0.939 . . . . 0.0 112.379 174.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 98' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -57.98 -49.56 76.4 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.449 1.022 . . . . 0.0 109.316 173.345 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -57.89 -40.3 79.94 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.927 0.87 . . . . 0.0 110.978 -174.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.28 -51.12 62.83 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.653 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 52.4 tp -57.67 -48.05 80.58 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.644 -0.66 . . . . 0.0 112.666 176.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 88.1 p -63.58 -43.41 97.08 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.329 0.968 . . . . 0.0 111.681 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -58.51 -51.99 67.55 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.618 0.367 . . . . 0.0 110.633 172.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 92.7 m -60.49 -32.43 71.42 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 36.5 mt -68.5 -48.23 64.94 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.153 0.981 . . . . 0.0 111.809 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 18.1 mt -54.72 -40.57 69.37 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.488 -0.757 . . . . 0.0 110.64 173.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 76.2 t -63.52 -45.73 96.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.04 0.936 . . . . 0.0 112.877 174.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 19.6 p -67.57 -32.23 72.84 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 120.328 1.422 . . . . 0.0 112.446 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.75 -45.14 91.19 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.996 0.816 . . . . 0.0 111.082 169.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.06 -32.87 64.47 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.41 -12.24 61.45 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -128.56 -16.85 4.23 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -173.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.0 mp -114.38 124.49 30.64 Favored Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 124.969 1.308 . . . . 0.0 109.197 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -40.19 -61.03 0.49 Allowed 'Trans proline' 0 C--N 1.358 1.037 1 C-N-CA 125.789 4.326 . . . . 0.0 117.981 -159.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -132.62 40.96 3.23 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 125.321 1.448 . . . . 0.0 108.836 176.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -21.37 6.33 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -164.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -62.85 7.94 0.07 Allowed 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 165.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.82 149.87 5.77 Favored Pre-proline 0 N--CA 1.477 0.911 0 CA-C-N 120.856 1.662 . . . . 0.0 111.268 -178.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -48.95 -40.06 40.29 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.526 2.151 . . . . 0.0 114.784 173.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.02 -60.21 2.35 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 174.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.93 -37.96 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 120.954 -1.091 . . . . 0.0 112.694 -169.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 122' ' ' HIS . . . . . 0.438 ' CD2' HG22 ' D' ' 34' ' ' VAL . 1.7 t60 -78.36 -43.71 26.99 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.382 1.473 . . . . 0.0 113.57 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.32 -48.32 76.96 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 119.832 1.196 . . . . 0.0 109.438 172.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 29.3 m -53.74 -63.24 1.21 Allowed 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.572 0.749 . . . . 0.0 112.046 173.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 37.6 mt -61.12 -40.81 95.18 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 120.516 -1.365 . . . . 0.0 113.895 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -64.23 -48.73 74.69 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 120.29 1.404 . . . . 0.0 111.702 177.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -28.24 65.44 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.69 0.677 . . . . 0.0 112.721 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -67.95 -45.57 73.87 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.511 1.051 . . . . 0.0 111.501 169.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.11 -31.2 69.82 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.289 -1.507 . . . . 0.0 111.443 170.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.87 -30.8 65.8 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 172.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 78.9 p -78.71 -42.27 28.81 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.25 -1.531 . . . . 0.0 111.627 170.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 73.4 t -50.41 -54.53 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.659 1.183 . . . . 0.0 109.586 169.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 87.4 p -63.68 -46.71 84.3 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 1.9 m -48.34 -51.73 24.86 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.003 0.82 . . . . 0.0 110.657 173.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.13 -43.39 88.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 123.153 0.581 . . . . 0.0 111.535 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -31.96 65.49 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.928 0.891 . . . . 0.0 112.891 175.053 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 98.9 m -93.93 -7.97 41.48 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.3 2.24 . . . . 0.0 112.883 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 8.6 t -142.24 77.99 1.6 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.162 1.385 . . . . 0.0 111.49 -171.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -136.93 24.01 3.06 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.73 1.212 . . . . 0.0 113.427 -177.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -72.49 133.53 44.85 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.397 -0.814 . . . . 0.0 110.254 173.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.136 1.774 . . . . 0.0 111.633 173.826 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 1' ' ' VAL . . . . . 0.451 HG13 ' H ' ' D' ' 2' ' ' HIS 0.313 5.3 p . . . . . 0 N--CA 1.516 2.85 0 CA-C-O 117.004 -1.474 . . . . 0.0 112.95 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 2' ' ' HIS . . . . . 0.451 ' H ' HG13 ' D' ' 1' ' ' VAL . 44.4 m80 20.25 70.68 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 128.212 2.605 . . . . 0.0 115.355 -177.347 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.41 156.79 12.25 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.198 -177.186 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.49 147.25 83.35 Favored Pre-proline 0 N--CA 1.477 0.888 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.013 162.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -50.84 -38.46 57.45 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.909 2.406 . . . . 0.0 114.837 175.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -73.72 -36.03 65.16 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.907 0.776 . . . . 0.0 111.942 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -41.22 81.27 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.542 -0.724 . . . . 0.0 111.371 171.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -54.72 -51.3 66.05 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.682 170.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 45.8 m -55.34 -43.06 74.62 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.603 1.092 . . . . 0.0 112.185 174.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.38 -48.08 81.77 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 118.938 0.79 . . . . 0.0 112.966 177.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 3.6 p -69.31 -55.34 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 CA-C-N 119.494 1.043 . . . . 0.0 112.426 174.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -68.54 -34.74 76.39 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.708 -1.245 . . . . 0.0 112.715 -169.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.54 85.66 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.564 1.075 . . . . 0.0 112.127 174.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 tt -68.09 -35.4 78.11 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.33 -0.856 . . . . 0.0 111.008 172.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -32.12 71.94 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 167.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.53 -37.37 93.22 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.189 0.9 . . . . 0.0 114.099 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -90.42 -16.9 28.17 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.68 135.39 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.763 0.825 . . . . 0.0 112.65 -167.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -87.07 88.12 7.62 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.759 0.824 . . . . 0.0 109.17 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 20' ' ' VAL . . . . . 0.531 HG13 HD22 ' D' ' 68' ' ' LEU . 70.5 t -52.98 -38.87 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-N 119.553 1.069 . . . . 0.0 113.828 -170.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -45.42 76.69 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 118.97 0.804 . . . . 0.0 112.85 175.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -79.26 -52.8 7.65 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.874 -0.516 . . . . 0.0 110.848 -175.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.05 -30.76 48.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.414 0 C-N-CA 123.772 0.829 . . . . 0.0 111.897 175.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.46 -45.67 17.69 Favored Glycine 0 C--N 1.341 0.854 0 CA-C-N 119.304 0.956 . . . . 0.0 111.985 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.63 -45.08 97.04 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-N 118.021 0.911 . . . . 0.0 112.52 170.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.16 -29.41 68.28 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-O 118.039 -0.982 . . . . 0.0 112.136 174.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 27' ' ' ALA . . . . . 0.51 ' HA ' HG11 ' D' ' 113' ' ' VAL . . . -68.91 -62.32 1.43 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 121.268 1.849 . . . . 0.0 111.703 172.155 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 17.4 tp -64.06 -37.37 87.19 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.661 -0.649 . . . . 0.0 110.453 -176.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.695 ' O ' HG13 ' D' ' 33' ' ' VAL . . . -48.89 -62.75 4.34 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-O 118.18 -1.344 . . . . 0.0 111.985 161.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -50.5 -26.17 4.85 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 120.359 2.08 . . . . 0.0 114.305 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 tt -77.67 -51.25 10.9 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 120.562 1.528 . . . . 0.0 111.523 168.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 32' ' ' LEU . . . . . 0.408 ' HB3' HD11 ' D' ' 48' ' ' LEU . 5.1 mp -76.46 -9.04 58.35 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 120.885 -1.135 . . . . 0.0 113.115 -176.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 33' ' ' VAL . . . . . 0.695 HG13 ' O ' ' D' ' 29' ' ' GLY . 2.9 m -74.8 -26.58 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 119.846 1.203 . . . . 0.0 114.116 172.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 34' ' ' VAL . . . . . 0.438 HG22 ' CD2' ' C' ' 122' ' ' HIS . 0.3 OUTLIER -76.16 1.51 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 CA-C-N 119.947 1.249 . . . . 0.0 113.845 -166.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.31 42.34 1.25 Allowed Pre-proline 0 CA--C 1.556 1.199 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -162.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -73.89 164.24 35.07 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.451 2.101 . . . . 0.0 111.747 177.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -54.31 -32.96 57.76 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.406 1.082 . . . . 0.0 113.438 168.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 16.8 p -57.68 -20.53 34.48 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 120.558 -1.339 . . . . 0.0 113.661 173.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -60.01 -16.79 33.73 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 171.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.23 -41.78 19.1 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 121.468 1.94 . . . . 0.0 112.109 169.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -74.62 3.14 8.29 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -50.59 -23.07 2.31 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -50.49 -34.04 23.55 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 171.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.09 6.07 27.06 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 176.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -123.91 23.83 8.49 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.373 1.869 . . . . 0.0 111.284 -174.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.13 -97.34 0.03 OUTLIER Glycine 0 CA--C 1.538 1.517 0 C-N-CA 125.778 1.656 . . . . 0.0 116.137 168.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.81 -94.5 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 125.643 1.577 . . . . 0.0 112.681 -174.374 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 48' ' ' LEU . . . . . 0.408 HD11 ' HB3' ' D' ' 32' ' ' LEU . 10.2 tt 58.6 -23.44 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 129.187 2.995 . . . . 0.0 117.995 174.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 59.7 p -53.8 -17.15 2.13 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.597 2.359 . . . . 0.0 115.944 -175.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 13.3 p -135.29 159.62 71.11 Favored Pre-proline 0 N--CA 1.471 0.608 0 C-N-CA 125.709 1.604 . . . . 0.0 111.659 166.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.45 -50.17 11.62 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.454 2.77 . . . . 0.0 114.535 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.24 -34.77 75.69 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.534 -0.729 . . . . 0.0 112.072 176.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.19 70.67 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 118.272 -0.87 . . . . 0.0 111.511 176.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 1.3 p -58.78 -31.65 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 CA-C-N 121.303 1.865 . . . . 0.0 114.239 -174.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 6.1 ptp -90.56 -17.94 26.09 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 177.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.79 -14.07 55.7 Favored Glycine 0 CA--C 1.54 1.649 0 C-N-CA 124.216 0.912 . . . . 0.0 114.439 170.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -65.23 120.9 71.32 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 127.014 2.126 . . . . 0.0 113.381 -173.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -63.4 -32.5 71.61 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.815 2.344 . . . . 0.0 112.764 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -70.43 -38.94 74.63 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.969 0.907 . . . . 0.0 112.301 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.82 -41.84 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.528 -0.733 . . . . 0.0 111.077 171.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -66.07 -43.88 86.1 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.479 1.036 . . . . 0.0 111.672 175.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.53 -50.37 72.96 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.799 1.181 . . . . 0.0 113.33 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -64.5 -35.86 82.33 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 120.837 -1.165 . . . . 0.0 111.707 173.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.52 -48.51 83.94 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 124.415 1.007 . . . . 0.0 112.716 173.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -58.35 -39.02 78.37 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.496 1.118 . . . . 0.0 111.977 171.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -66.8 -52.94 38.05 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.236 1.015 . . . . 0.0 113.471 175.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 4.4 m -59.94 -38.57 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 120.2 1.364 . . . . 0.0 111.633 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 68' ' ' LEU . . . . . 0.531 HD22 HG13 ' D' ' 20' ' ' VAL . 7.0 tt -69.08 -45.06 71.25 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.281 -0.887 . . . . 0.0 111.912 175.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.74 -41.66 75.77 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 124.884 1.231 . . . . 0.0 112.022 177.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.08 -46.18 90.21 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 171.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -55.97 -41.46 74.8 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 119.628 1.104 . . . . 0.0 112.134 170.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -63.8 -44.08 94.36 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.181 0.993 . . . . 0.0 112.138 176.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.18 -30.21 66.25 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.602 1.161 . . . . 0.0 112.027 170.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.51 -63.19 5.45 Favored Glycine 0 C--N 1.341 0.83 0 C-N-CA 124.864 1.221 . . . . 0.0 110.733 168.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.4 -32.18 62.45 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.776 1.288 . . . . 0.0 113.87 177.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.72 -28.9 68.05 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 173.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -142.82 44.95 1.59 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.43 1.492 . . . . 0.0 113.244 -169.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.68 -19.57 58.79 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.699 -1.25 . . . . 0.0 114.029 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.93 -40.54 22.31 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.648 1.979 . . . . 0.0 113.927 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -157.16 134.48 10.49 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.333 1.053 . . . . 0.0 111.204 169.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 47.5 mt -104.2 -43.43 5.24 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.472 0.709 . . . . 0.0 112.201 -173.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -57.55 -24.9 58.75 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.507 1.523 . . . . 0.0 113.954 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.79 4.0 59.19 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 126.216 1.865 . . . . 0.0 115.554 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.25 -19.85 5.42 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 119.1 1.45 . . . . 0.0 113.376 173.226 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -106.71 13.17 28.38 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.668 1.187 . . . . 0.0 113.966 174.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.34 -40.2 64.71 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.833 1.197 . . . . 0.0 113.754 -177.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 6.2 p -64.39 -42.43 96.13 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.315 1.046 . . . . 0.0 112.666 173.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 15.5 mt -70.13 -32.7 70.83 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.615 -0.678 . . . . 0.0 111.95 175.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 7.3 t -63.08 -46.49 87.18 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.999 0.92 . . . . 0.0 111.359 172.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.83 -37.78 88.15 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.112 -0.992 . . . . 0.0 112.716 171.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.71 -56.59 18.03 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.489 -1.382 . . . . 0.0 111.9 174.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -74.07 -21.8 59.78 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -174.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 38.2 t -97.58 -53.39 3.45 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 174.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -85.63 -38.72 18.09 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.669 1.577 . . . . 0.0 113.254 -171.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -85.37 -28.65 25.03 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 77.2 mt -119.42 -39.7 2.86 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -174.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 50.89 18.16 0.49 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 127.683 2.393 . . . . 0.0 116.348 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 1.2 m -52.16 140.96 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.931 1.692 . . . . 0.0 112.675 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.0 136.24 96.59 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-O 119.091 -0.481 . . . . 0.0 112.239 -175.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -48.67 -35.42 29.81 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 124.235 3.29 . . . . 0.0 116.673 -175.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -50.12 -30.54 11.35 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.286 -1.509 . . . . 0.0 113.279 173.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -62.79 -37.73 87.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.295 1.038 . . . . 0.0 111.548 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 103' ' ' PHE . . . . . 0.472 ' CD1' ' HB1' ' D' ' 138' ' ' ALA . 0.4 OUTLIER -61.55 -46.18 91.01 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.601 1.091 . . . . 0.0 110.628 172.808 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 104' ' ' ARG . . . . . 0.408 ' N ' ' CD1' ' D' ' 103' ' ' PHE . 8.3 tpm_? -64.73 -36.96 85.97 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.974 0.909 . . . . 0.0 110.101 -173.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.78 -47.54 85.85 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.09 0.956 . . . . 0.0 112.007 170.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -38.19 85.53 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.581 1.082 . . . . 0.0 111.355 176.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 107' ' ' GLY . . . . . 0.419 ' O ' HG13 ' D' ' 111' ' ' VAL . . . -64.05 -54.44 30.4 Favored Glycine 0 N--CA 1.464 0.507 0 O-C-N 121.569 -0.707 . . . . 0.0 113.227 174.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -58.11 -31.99 67.67 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 121.96 0.886 . . . . 0.0 111.557 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 6.8 t -63.67 -57.06 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 120.85 -1.156 . . . . 0.0 112.008 167.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 48.3 tp -56.43 -45.46 80.75 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.383 0.992 . . . . 0.0 111.803 -177.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 111' ' ' VAL . . . . . 0.675 HG12 ' HB3' ' D' ' 130' ' ' TYR . 2.6 m -61.59 -26.76 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 121.447 -0.783 . . . . 0.0 112.45 178.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 20.1 t -94.2 -35.08 12.65 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 -172.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 113' ' ' VAL . . . . . 0.51 HG11 ' HA ' ' D' ' 27' ' ' ALA . 0.2 OUTLIER -55.88 -38.52 52.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 CA-C-N 120.213 1.37 . . . . 0.0 110.246 167.269 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 35.7 mt -63.93 -43.45 95.85 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 118.177 0.444 . . . . 0.0 111.405 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.1 -21.93 65.39 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 170.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -60.06 2.49 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.247 0.93 . . . . 0.0 111.01 167.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -25.81 66.57 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.564 0.62 . . . . 0.0 112.537 -170.288 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -129.87 39.14 3.73 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.0 1.72 . . . . 0.0 110.32 -175.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -48.97 -40.49 27.59 Favored Glycine 0 N--CA 1.475 1.257 0 C-N-CA 125.145 1.355 . . . . 0.0 114.584 178.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -9.7 5.06 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 171.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -134.82 11.25 3.66 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.225 1.81 . . . . 0.0 113.052 -176.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.16 27.1 0.06 Allowed 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 -168.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 19.2 p -43.54 144.82 1.23 Allowed Pre-proline 0 N--CA 1.486 1.328 0 CA-C-N 120.292 1.405 . . . . 0.0 114.182 -159.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -41.91 -47.35 6.54 Favored 'Trans proline' 0 CA--C 1.547 1.125 0 C-N-CA 122.835 2.357 . . . . 0.0 115.389 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.47 -23.7 31.84 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 121.828 1.685 . . . . 0.0 115.26 173.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -47.93 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 121.194 1.816 . . . . 0.0 110.397 173.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -64.44 -43.83 93.05 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.311 -0.868 . . . . 0.0 111.435 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.57 -32.65 69.13 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.463 0.705 . . . . 0.0 112.581 174.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.56 -52.29 22.66 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.577 0.751 . . . . 0.0 110.448 176.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 130' ' ' TYR . . . . . 0.675 ' HB3' HG12 ' D' ' 111' ' ' VAL . 45.0 m-85 -53.66 -46.78 70.7 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.013 0.525 . . . . 0.0 112.043 172.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -59.97 -39.09 84.45 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 117.837 -1.077 . . . . 0.0 112.961 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.22 -40.08 90.05 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 120.376 1.444 . . . . 0.0 113.329 172.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 17.8 t -65.92 -47.29 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 CA-C-N 119.616 1.098 . . . . 0.0 111.024 174.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.64 -40.84 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.27 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.86 -44.68 86.75 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.934 1.243 . . . . 0.0 111.185 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.96 -54.54 36.66 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 121.846 -0.534 . . . . 0.0 113.007 171.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.76 -44.35 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 118.384 1.092 . . . . 0.0 110.361 -177.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 138' ' ' ALA . . . . . 0.472 ' HB1' ' CD1' ' D' ' 103' ' ' PHE . . . -64.92 -42.0 95.07 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.728 1.211 . . . . 0.0 113.222 176.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -64.44 -19.48 65.57 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.367 0.985 . . . . 0.0 112.403 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.98 -42.28 24.23 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.058 -1.026 . . . . 0.0 111.905 165.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.32 -27.75 69.26 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 120.497 -1.377 . . . . 0.0 112.836 174.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -75.06 -15.55 60.62 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.415 1.886 . . . . 0.0 114.072 172.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -52.76 -44.74 66.7 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 120.794 1.634 . . . . 0.0 114.175 -173.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -69.14 -14.87 63.24 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 174.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -102.3 -19.52 14.99 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 126.701 2.0 . . . . 0.0 113.2 178.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . 0.28 0.2 OUTLIER . . . . . 0 C--O 1.254 1.33 0 C-N-CA 128.718 2.807 . . . . 0.0 115.028 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.492 HMC1 ' HB3' ' A' ' 97' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 201' ' ' HEC . . . . . 0.478 ' HHC' HBB3 ' B' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 201' ' ' HEC . . . . . 0.491 HMC1 ' HB3' ' C' ' 97' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 201' ' ' HEC . . . . . 0.486 ' HHC' HBB3 ' D' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.509 2.495 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.5 mt -137.5 -176.86 4.55 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 119.946 -1.722 . . . . 0.0 111.126 -169.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.95 167.83 16.44 Favored Pre-proline 0 N--CA 1.487 1.375 0 C-N-CA 124.691 1.196 . . . . 0.0 112.718 -176.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.53 -50.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.272 1.981 . . . . 0.0 114.525 -169.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.25 -35.14 73.6 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -169.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -63.5 -37.71 88.33 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.127 -0.983 . . . . 0.0 112.341 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -59.17 -42.44 90.81 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.718 1.145 . . . . 0.0 111.945 173.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.8 m -59.39 -40.66 87.3 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.045 0.538 . . . . 0.0 111.12 174.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -67.96 -36.91 80.87 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.758 -0.588 . . . . 0.0 112.206 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.7 t -61.08 -48.07 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 119.435 1.016 . . . . 0.0 111.244 169.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.14 -44.29 97.56 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.669 0.668 . . . . 0.0 111.812 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.42 -52.96 63.41 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.427 0.691 . . . . 0.0 111.448 174.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.79 -53.82 52.04 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.14 0.976 . . . . 0.0 112.546 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.2 t-105 -63.39 -30.04 71.24 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.327 -0.858 . . . . 0.0 112.919 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.73 -36.68 90.62 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.456 1.027 . . . . 0.0 113.221 169.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -73.95 -36.81 64.66 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 118.456 1.128 . . . . 0.0 111.468 172.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.34 -54.4 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.777 0.831 . . . . 0.0 111.268 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.13 -128.06 4.41 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.336 0.97 . . . . 0.0 113.863 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.07 -22.44 50.37 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -72.31 -7.0 47.17 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.79 -44.2 63.35 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.789 -1.194 . . . . 0.0 112.772 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.04 -46.07 94.8 Favored Glycine 0 N--CA 1.469 0.895 0 C-N-CA 123.812 0.72 . . . . 0.0 113.829 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -67.86 -36.93 81.16 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.491 1.145 . . . . 0.0 112.05 177.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -66.86 -37.59 84.74 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.071 -1.018 . . . . 0.0 112.585 173.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.67 -44.01 90.62 Favored Glycine 0 CA--C 1.532 1.139 0 O-C-N 121.098 -1.001 . . . . 0.0 112.286 173.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.72 -50.67 71.5 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.161 0.984 . . . . 0.0 110.971 174.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -65.26 -24.77 67.41 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.092 0.957 . . . . 0.0 113.331 177.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.36 -38.6 49.81 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.499 1.045 . . . . 0.0 111.821 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.4 mt -60.93 -44.05 97.79 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.505 0.722 . . . . 0.0 110.727 169.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -61.09 -49.56 76.82 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.351 0.66 . . . . 0.0 112.203 173.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -60.46 -36.88 79.29 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.654 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.8 ttp -55.38 -52.23 64.23 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.947 1.249 . . . . 0.0 111.349 169.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -55.97 27.87 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.02 0.373 . . . . 0.0 111.648 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.11 -29.68 69.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.625 0.648 . . . . 0.0 112.025 -173.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.68 ' HA ' ' HB2' ' B' ' 128' ' ' ALA . 8.2 t -72.31 -24.11 61.27 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 177.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -150.86 67.35 7.8 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 123.799 0.84 . . . . 0.0 110.247 -172.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -51.28 -27.8 24.44 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 123.808 3.005 . . . . 0.0 115.329 -171.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.43 -33.8 14.97 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.758 1.623 . . . . 0.0 114.39 172.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.5 p -70.9 -17.99 62.69 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 120.901 1.682 . . . . 0.0 114.295 175.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -57.73 -31.05 66.05 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 120.771 1.623 . . . . 0.0 112.958 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 t -73.21 -18.22 61.27 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.763 1.024 . . . . 0.0 113.763 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -32.76 74.36 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 120.695 -1.253 . . . . 0.0 112.208 177.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -147.97 78.01 9.86 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 125.656 1.582 . . . . 0.0 111.443 175.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -77.68 -0.9 11.08 Favored 'Trans proline' 0 CA--C 1.548 1.195 0 C-N-CA 123.653 2.902 . . . . 0.0 114.383 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.03 0.17 0.43 Allowed 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 -176.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.93 147.61 42.51 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.248 1.419 . . . . 0.0 112.824 -176.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -76.93 152.06 35.47 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.485 0.714 . . . . 0.0 110.401 167.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -154.45 13.87 0.43 Allowed 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 -174.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -86.63 56.41 3.99 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.119 1.368 . . . . 0.0 112.921 -173.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 68.97 118.18 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 127.566 2.346 . . . . 0.0 113.623 -177.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.33 14.08 74.99 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 121.242 -0.911 . . . . 0.0 115.064 174.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 t -58.49 133.61 55.95 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.338 1.055 . . . . 0.0 112.921 178.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.66 -27.67 68.85 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 173.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -80.64 -40.25 25.94 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.615 -0.678 . . . . 0.0 111.688 175.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.3 t -66.22 -34.01 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 121.463 -0.773 . . . . 0.0 111.794 175.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -59.87 -38.19 81.46 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 120.004 1.275 . . . . 0.0 112.718 174.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.77 -53.19 6.57 Favored Glycine 0 N--CA 1.47 0.922 0 C-N-CA 124.351 0.976 . . . . 0.0 111.854 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.36 -33.8 68.15 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.761 -0.847 . . . . 0.0 112.117 175.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -61.73 -50.66 63.81 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 125.034 1.302 . . . . 0.0 113.801 170.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -56.77 -36.13 69.46 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 118.958 1.379 . . . . 0.0 113.232 170.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -66.28 -51.76 54.26 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.005 0.82 . . . . 0.0 112.889 173.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 77.8 t -56.78 -43.35 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 CA-C-N 119.42 1.009 . . . . 0.0 111.093 173.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.57 80.78 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.133 0.973 . . . . 0.0 113.237 174.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.98 -38.82 87.34 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.96 0.8 . . . . 0.0 112.228 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.429 ' HB2' HMA1 ' A' ' 201' ' ' HEC . . . -61.32 -45.49 94.21 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 170.129 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.18 -44.89 88.23 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 118.818 -0.61 . . . . 0.0 111.581 172.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.9 m -57.28 -49.27 76.59 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.702 1.137 . . . . 0.0 111.9 172.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -21.93 65.52 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 120.089 1.313 . . . . 0.0 113.03 177.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.23 -51.9 18.87 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 119.472 1.033 . . . . 0.0 110.418 167.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.1 t -54.55 -46.94 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.821 1.191 . . . . 0.0 111.543 177.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.38 -21.43 50.2 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.024 1.329 . . . . 0.0 113.961 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -143.24 35.67 1.35 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.564 1.146 . . . . 0.0 111.214 -176.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.05 -23.77 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 119.602 -1.936 . . . . 0.0 116.001 -162.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -119.1 27.48 8.82 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.61 1.164 . . . . 0.0 112.402 170.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -153.68 29.02 0.48 Allowed 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 129.339 3.055 . . . . 0.0 111.661 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.9 ptt? -101.22 18.07 0.05 OUTLIER Pre-proline 0 N--CA 1.482 1.132 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 -176.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -64.86 -41.59 17.48 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 CA-C-N 123.459 2.271 . . . . 0.0 113.743 -161.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -84.82 -19.37 32.6 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.127 0.971 . . . . 0.0 112.909 171.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.43 -10.0 52.31 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -173.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.0 mt -107.39 5.26 27.19 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 120.958 -1.088 . . . . 0.0 112.984 168.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.6 m -59.37 -35.05 73.18 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.572 -1.33 . . . . 0.0 113.344 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.23 -16.22 42.84 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 172.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mt -97.29 -38.6 9.6 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.336 1.454 . . . . 0.0 110.68 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.5 t -52.21 -42.57 63.66 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.571 1.148 . . . . 0.0 111.418 161.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.64 -53.83 41.62 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.673 1.189 . . . . 0.0 111.949 170.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -54.52 -53.31 56.14 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.319 0.963 . . . . 0.0 110.983 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -52.89 -43.52 66.23 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.84 1.256 . . . . 0.0 113.607 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.8 -31.91 14.18 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -174.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -84.57 -45.47 12.53 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.169 0.988 . . . . 0.0 112.837 -175.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -147.66 52.34 1.05 Allowed 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -178.407 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.37 -62.08 0.84 Allowed 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.391 -0.818 . . . . 0.0 111.158 169.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 57.32 18.27 4.23 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 124.661 1.184 . . . . 0.0 113.623 -175.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.3 t -83.14 143.04 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 126.582 1.953 . . . . 0.0 111.655 -173.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -58.78 143.3 82.89 Favored Pre-proline 0 CA--C 1.55 0.978 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 172.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -50.73 -16.99 2.7 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 124.311 3.341 . . . . 0.0 116.574 173.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.8 p -47.92 -41.01 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 119.735 1.152 . . . . 0.0 112.995 171.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -65.36 -34.08 77.48 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.429 -0.796 . . . . 0.0 112.565 175.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -59.34 -51.81 68.32 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 119.625 1.102 . . . . 0.0 109.104 170.056 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -55.83 -51.71 66.54 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.333 0.587 . . . . 0.0 109.899 -175.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.3 mt -58.85 -50.1 75.25 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 124.006 0.922 . . . . 0.0 112.2 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.53 -41.46 93.07 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.83 1.195 . . . . 0.0 112.61 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.9 m -66.0 -46.05 79.36 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.167 1.349 . . . . 0.0 112.886 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -61.21 -43.81 98.28 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.505 1.048 . . . . 0.0 111.233 173.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 91.1 m -67.25 -34.12 76.78 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.196 -0.94 . . . . 0.0 113.489 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.4 mt -64.55 -47.12 79.93 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.042 1.292 . . . . 0.0 111.174 170.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.7 mt -53.91 -42.59 68.91 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 121.69 -0.631 . . . . 0.0 111.381 171.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 37.1 t -69.35 -38.12 76.81 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 117.749 -1.119 . . . . 0.0 113.593 177.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.6 p -73.05 -39.37 65.99 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 121.839 2.108 . . . . 0.0 112.477 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.73 -59.32 5.19 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 167.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -47.65 -47.21 29.39 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.8 -20.02 59.95 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 -174.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -131.17 -16.36 3.17 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -172.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.1 75.63 53.44 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 129.891 3.277 . . . . 0.0 106.995 170.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -44.62 146.03 2.4 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.879 3.053 . . . . 0.0 114.413 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.41 16.91 0.05 Allowed 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 176.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 52.01 19.02 0.92 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.931 2.092 . . . . 0.0 114.208 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.6 p90 44.2 8.41 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 128.997 2.919 . . . . 0.0 117.207 -166.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.0 144.03 81.7 Favored Pre-proline 0 N--CA 1.478 0.93 0 O-C-N 120.513 -1.367 . . . . 0.0 111.547 -176.357 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -64.34 -33.34 59.19 Favored 'Trans proline' 0 CA--C 1.536 0.59 0 C-N-CA 122.519 2.146 . . . . 0.0 112.422 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.0 -39.45 72.4 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.519 -0.738 . . . . 0.0 112.423 176.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.5 t -71.63 -38.65 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-N 119.879 1.218 . . . . 0.0 111.293 174.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -61.84 -34.39 75.88 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.248 -0.908 . . . . 0.0 113.235 172.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.27 -57.14 9.19 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.495 0.589 . . . . 0.0 110.151 165.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.4 p -58.62 -55.45 34.9 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 117.687 -1.149 . . . . 0.0 113.445 -165.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.34 -43.69 97.01 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 120.11 1.323 . . . . 0.0 112.203 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.18 -51.34 31.89 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.163 0.585 . . . . 0.0 111.387 -175.103 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -35.84 74.63 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.063 0.545 . . . . 0.0 111.321 169.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -67.61 -44.82 77.15 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 119.701 1.137 . . . . 0.0 111.129 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.86 -28.97 68.77 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 120.465 1.484 . . . . 0.0 111.595 173.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.26 97.13 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 118.131 -0.938 . . . . 0.0 113.243 166.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 94.1 p -76.55 -35.49 58.21 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 121.535 1.971 . . . . 0.0 113.795 176.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 95.8 t -54.66 -53.59 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 119.495 1.043 . . . . 0.0 108.963 165.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.0 t -52.39 -60.34 3.34 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.907 173.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 28.4 m -51.4 -47.71 62.85 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 117.893 -1.051 . . . . 0.0 112.554 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 81.5 t -70.93 -38.48 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-N 120.417 1.462 . . . . 0.0 111.972 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.84 -41.74 78.45 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 120.27 1.395 . . . . 0.0 110.312 168.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 69.9 p -92.06 31.16 1.3 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.058 1.743 . . . . 0.0 113.596 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.3 p -169.02 -154.76 0.13 Allowed 'General case' 0 CA--C 1.545 0.784 0 O-C-N 120.443 -1.41 . . . . 0.0 111.285 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.442 ' HB2' ' HB2' ' C' ' 139' ' ' LYS . 10.0 tmtt? -142.62 -53.16 0.4 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 153.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.66 157.34 27.48 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -170.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.246 0 C-N-CA 125.982 1.713 . . . . 0.0 114.745 -164.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.315 7.4 p . . . . . 0 N--CA 1.511 2.604 0 CA-C-O 117.58 -1.2 . . . . 0.0 112.979 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 5.2 t60 35.18 74.03 0.07 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.075 2.15 . . . . 0.0 115.58 178.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 68.3 mt -54.43 122.54 10.69 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.318 -0.864 . . . . 0.0 111.37 176.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 63.6 m -52.55 132.47 45.24 Favored Pre-proline 0 N--CA 1.478 0.968 0 CA-C-O 117.291 -1.338 . . . . 0.0 109.523 168.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -48.72 -41.62 37.88 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.445 2.764 . . . . 0.0 116.602 -171.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.41 -36.81 79.63 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.297 -0.877 . . . . 0.0 112.382 176.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.11 -39.54 75.42 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.434 -0.791 . . . . 0.0 111.926 172.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.13 -47.21 78.59 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 117.526 -1.225 . . . . 0.0 110.386 167.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.0 t -56.8 -47.04 81.13 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.897 1.226 . . . . 0.0 111.611 175.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.87 -57.28 11.52 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.499 1.12 . . . . 0.0 113.826 177.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.527 HG23 ' CE1' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -70.96 -49.83 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 119.107 0.867 . . . . 0.0 111.555 176.864 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -66.42 -35.53 80.54 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.807 1.185 . . . . 0.0 112.154 -167.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.84 -38.01 87.75 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.463 1.029 . . . . 0.0 112.459 172.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 tt -70.46 -35.05 73.1 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.364 -0.835 . . . . 0.0 111.377 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -36.57 75.36 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.44 1.096 . . . . 0.0 112.9 166.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.46 -41.45 98.63 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.799 1.19 . . . . 0.0 113.957 175.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -87.3 -16.91 33.74 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.13 131.21 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.939 1.296 . . . . 0.0 111.814 -178.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -88.33 77.71 8.13 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.596 1.158 . . . . 0.0 109.861 -177.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 62.0 t -49.84 -38.89 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 124.731 1.212 . . . . 0.0 113.731 -169.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -13.57 62.37 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.894 1.278 . . . . 0.0 114.045 -178.393 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -124.87 -50.03 1.72 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.916 1.286 . . . . 0.0 111.198 -176.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.85 -29.56 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.107 -0.996 . . . . 0.0 112.846 173.229 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.65 -40.01 11.42 Favored Glycine 0 N--CA 1.47 0.958 0 O-C-N 121.344 -0.848 . . . . 0.0 112.715 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.96 -43.06 99.87 Favored Glycine 0 N--CA 1.476 1.321 0 CA-C-N 118.131 0.966 . . . . 0.0 112.02 169.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -56.57 -56.54 20.0 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 124.42 1.088 . . . . 0.0 111.13 166.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.51 94.55 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 121.351 1.887 . . . . 0.0 114.344 -175.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 tp -69.51 -49.74 51.78 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.096 0.862 . . . . 0.0 111.745 176.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.63 -39.62 96.79 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-N 118.263 0.483 . . . . 0.0 112.232 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -54.52 -45.73 73.41 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 117.133 -1.413 . . . . 0.0 112.01 172.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.26 -49.06 17.8 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.918 1.236 . . . . 0.0 112.12 -177.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.498 HD22 ' H ' ' B' ' 32' ' ' LEU . 2.3 mm? -62.53 -44.39 96.47 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.983 0.913 . . . . 0.0 112.706 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -78.14 -27.87 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 O-C-N 121.408 -0.808 . . . . 0.0 112.576 -177.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 19.2 t -67.77 -46.44 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 126.663 1.985 . . . . 0.0 111.049 175.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -133.74 83.75 46.64 Favored Pre-proline 0 CA--C 1.541 0.611 0 C-N-CA 124.61 1.164 . . . . 0.0 110.483 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -50.18 -18.65 3.51 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 124.613 3.542 . . . . 0.0 117.091 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 -60.26 -33.73 72.72 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.129 1.331 . . . . 0.0 112.945 170.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 73.9 p -62.96 -20.84 65.63 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 15.6 tm0? -53.42 -30.75 41.95 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.976 0.91 . . . . 0.0 113.136 167.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -60.02 -15.71 24.91 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 120.84 1.654 . . . . 0.0 114.339 175.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -108.82 1.61 21.05 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.989 1.716 . . . . 0.0 113.344 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -53.33 59.47 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.156 1.344 . . . . 0.0 112.513 -173.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 26.13 5.15 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.392 1 C-N-CA 134.585 5.154 . . . . 0.0 120.677 -176.442 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -162.48 -28.43 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.928 2.091 . . . . 0.0 113.007 -169.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -52.36 -32.55 38.88 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 176.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.56 159.51 17.32 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.859 1.218 . . . . 0.0 114.891 175.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 49.5 t0 42.5 -98.53 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 127.028 2.131 . . . . 0.0 114.078 -173.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 47.59 9.93 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 118.972 2.953 . . . . 0.0 118.972 176.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -57.71 -22.18 44.85 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -172.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 69.3 p -134.54 162.45 57.66 Favored Pre-proline 0 N--CA 1.471 0.586 0 C-N-CA 126.205 1.802 . . . . 0.0 110.573 171.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -50.06 -40.72 50.25 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.104 2.536 . . . . 0.0 114.263 167.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -62.75 -44.51 96.01 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.482 0.713 . . . . 0.0 111.795 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.86 -45.02 94.52 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.616 0.766 . . . . 0.0 112.796 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -66.21 -37.65 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 O-C-N 120.988 -1.07 . . . . 0.0 112.781 -177.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 3.0 ttm -79.64 -12.93 59.81 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.69 -21.86 10.04 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.074 1.321 . . . . 0.0 115.11 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -55.16 117.15 13.4 Favored Pre-proline 0 CA--C 1.554 1.13 0 CA-C-N 119.221 1.51 . . . . 0.0 111.893 177.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -51.35 -40.28 62.08 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 124.072 3.181 . . . . 0.0 115.159 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -26.16 61.53 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.038 -1.038 . . . . 0.0 112.514 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 97.7 t -69.13 -33.4 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 119.488 1.04 . . . . 0.0 111.456 169.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -64.71 -44.81 89.04 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.457 1.481 . . . . 0.0 111.746 168.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.08 -49.42 77.72 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 118.776 0.717 . . . . 0.0 112.804 174.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -67.12 -28.29 68.03 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.691 -1.255 . . . . 0.0 112.195 174.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.73 -49.07 82.52 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 125.815 1.674 . . . . 0.0 113.094 168.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -58.55 -40.19 82.32 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.992 -0.711 . . . . 0.0 111.564 168.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -63.77 -51.82 63.11 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.326 1.05 . . . . 0.0 112.639 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 13.1 p -62.51 -46.62 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 119.273 0.942 . . . . 0.0 112.317 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 tt -69.39 -37.38 77.49 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.508 -0.745 . . . . 0.0 110.866 177.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.8 -43.92 48.24 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 125.262 1.41 . . . . 0.0 112.718 170.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.67 80.41 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 118.733 1.266 . . . . 0.0 112.428 172.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.497 ' HZ ' HBB2 ' B' ' 201' ' ' HEC . 62.2 m-85 -59.01 -37.02 75.93 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.285 -1.51 . . . . 0.0 113.279 172.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.3 t -67.86 -43.92 78.31 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.978 1.311 . . . . 0.0 112.884 175.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -56.59 -37.42 70.61 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.998 0.919 . . . . 0.0 111.225 168.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.16 -57.61 18.29 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 123.429 0.538 . . . . 0.0 112.294 170.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.7 mt -57.94 -24.26 57.16 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 176.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.47 -19.73 27.58 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.573 1.549 . . . . 0.0 114.824 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -141.19 41.04 1.78 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.688 1.595 . . . . 0.0 112.764 -172.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 95.8 mt -55.8 -19.19 10.49 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 120.634 -1.291 . . . . 0.0 114.222 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -52.69 -42.06 64.45 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.816 1.646 . . . . 0.0 113.186 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -153.73 113.49 3.85 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.691 1.596 . . . . 0.0 110.212 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 88.5 mt -94.32 2.43 55.84 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.253 1.021 . . . . 0.0 113.453 176.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -87.21 -53.24 4.95 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.525 -1.359 . . . . 0.0 112.443 -174.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.18 -36.77 71.71 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.605 0.622 . . . . 0.0 113.467 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.8 p -69.31 -12.64 61.83 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.231 1.813 . . . . 0.0 114.486 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -130.03 9.65 5.33 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.191 1.396 . . . . 0.0 112.912 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.37 -34.51 70.77 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 -170.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 21.9 p -65.81 -39.31 90.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.996 0.918 . . . . 0.0 112.018 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 53.0 mt -73.65 -40.77 63.49 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.755 1.222 . . . . 0.0 111.638 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 98.6 p -64.43 -41.52 96.54 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.781 1.173 . . . . 0.0 111.445 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.2 -48.57 79.94 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.382 0.673 . . . . 0.0 112.67 170.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.6 tp -51.27 -55.16 19.69 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.645 0.778 . . . . 0.0 111.828 173.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -74.72 -31.04 61.73 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.096 -1.003 . . . . 0.0 113.329 -173.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 85.2 m -78.66 -39.03 38.05 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.6 1.091 . . . . 0.0 113.799 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -107.65 -24.49 11.72 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -169.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -24.86 19.76 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 174.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 32.0 mt -128.23 -44.81 1.4 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.515 1.126 . . . . 0.0 113.585 -172.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 15.2 t60 55.97 22.32 5.69 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 127.659 2.383 . . . . 0.0 116.39 -176.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 23.9 m -61.13 154.23 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 120.733 -1.229 . . . . 0.0 112.595 173.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.03 157.58 86.8 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 127.9 2.48 . . . . 0.0 113.08 -176.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.02 -41.24 40.62 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 124.646 3.564 . . . . 0.0 115.204 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -61.07 -30.11 70.14 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.923 -1.11 . . . . 0.0 113.13 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -62.7 -41.02 98.91 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.13 0.877 . . . . 0.0 111.388 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -65.49 -46.78 78.38 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.557 0.743 . . . . 0.0 110.325 174.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -55.45 -43.8 75.75 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.076 0.55 . . . . 0.0 110.961 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 34.9 mt -58.37 -45.08 88.92 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.015 1.326 . . . . 0.0 113.431 175.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 tt -58.88 -46.58 87.51 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.593 1.088 . . . . 0.0 110.534 173.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.12 -38.44 95.58 Favored Glycine 0 CA--C 1.534 1.277 0 O-C-N 121.107 -0.996 . . . . 0.0 113.929 174.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -63.44 -39.93 95.79 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.652 1.226 . . . . 0.0 111.803 174.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.54 -54.21 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.447 -0.783 . . . . 0.0 110.708 167.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 45.9 tp -50.98 -53.57 32.05 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.375 1.07 . . . . 0.0 111.944 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 24.7 m -60.03 -35.73 62.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 118.928 0.785 . . . . 0.0 112.564 177.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 24.3 t -64.3 -38.27 90.45 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.784 0.72 . . . . 0.0 111.719 178.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 1.9 m -67.93 -43.69 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.05 -1.031 . . . . 0.0 111.46 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -38.43 84.44 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.585 -0.697 . . . . 0.0 111.595 172.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.66 -21.44 62.8 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.146 0.884 . . . . 0.0 112.895 172.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -63.11 1.46 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.493 0.717 . . . . 0.0 111.559 166.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -66.4 -27.43 67.84 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 119.568 1.077 . . . . 0.0 113.753 -170.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -114.58 28.13 8.95 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.185 1.794 . . . . 0.0 111.072 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.87 -36.92 51.65 Favored Glycine 0 N--CA 1.472 1.085 0 C-N-CA 124.763 1.173 . . . . 0.0 115.396 -175.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -65.39 -7.18 12.6 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.531 1.533 . . . . 0.0 114.66 173.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -126.27 22.73 7.12 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.173 1.789 . . . . 0.0 111.949 -168.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -59.65 80.62 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 127.299 2.24 . . . . 0.0 113.922 175.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.92 148.59 87.67 Favored Pre-proline 0 N--CA 1.482 1.133 0 O-C-N 120.231 -1.543 . . . . 0.0 111.588 176.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 124' ' ' PRO . . . . . 0.448 ' CB ' ' HD3' ' B' ' 125' ' ' PRO 0.364 12.5 Cg_exo -33.37 -93.54 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 2.011 1 C-N-CA 126.865 5.043 . . . . 0.0 118.199 -173.191 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' B' B ' 125' ' ' PRO . . . . . 0.448 ' HD3' ' CB ' ' B' ' 124' ' ' PRO . 70.6 Cg_exo -70.13 17.82 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 CA-C-N 124.576 2.67 . . . . 0.0 118.585 169.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 2.4 p -53.91 -42.96 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-N 123.261 2.755 . . . . 0.0 113.871 -167.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -64.16 -41.36 97.17 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.245 -0.909 . . . . 0.0 111.802 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 128' ' ' ALA . . . . . 0.68 ' HB2' ' HA ' ' A' ' 35' ' ' SER . . . -60.74 -46.14 91.58 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.437 1.095 . . . . 0.0 111.789 174.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.67 95.95 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.288 1.035 . . . . 0.0 111.088 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.527 ' CE1' HG23 ' B' ' 11' ' ' VAL . 37.6 m-85 -59.77 -52.29 66.12 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 118.591 -0.718 . . . . 0.0 112.415 168.144 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -38.04 64.83 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.839 1.2 . . . . 0.0 112.505 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -61.69 -51.86 66.67 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.796 1.239 . . . . 0.0 113.378 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.4 -36.29 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 CA-C-N 120.041 1.291 . . . . 0.0 113.018 175.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 26.1 t -59.13 -45.6 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.949 1.299 . . . . 0.0 111.394 173.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.11 94.5 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.124 0.875 . . . . 0.0 111.774 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.65 -50.52 64.64 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 121.851 -0.531 . . . . 0.0 112.827 170.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 33.1 t -61.04 -44.59 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 117.98 0.89 . . . . 0.0 112.277 175.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -57.7 -49.73 75.54 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.32 0.964 . . . . 0.0 111.969 175.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.4 -36.88 85.18 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.167 0.587 . . . . 0.0 112.184 176.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.65 95.96 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.416 -0.802 . . . . 0.0 112.63 172.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 8.6 mt -68.25 -31.95 71.8 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 120.599 -1.313 . . . . 0.0 112.202 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.46 -6.65 41.95 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 169.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -56.31 -41.49 76.05 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.149 -1.595 . . . . 0.0 113.188 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -70.31 5.7 1.63 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.316 1.446 . . . . 0.0 114.838 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -58.69 -18.13 28.41 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 120.387 1.449 . . . . 0.0 113.628 167.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 3.3 p80 . . . . . 0 C--O 1.255 1.37 0 C-N-CA 125.502 1.521 . . . . 0.0 114.947 176.93 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.51 2.551 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 45.2 mt -137.53 -176.93 4.57 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 119.967 -1.708 . . . . 0.0 111.212 -169.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.91 167.93 16.11 Favored Pre-proline 0 N--CA 1.487 1.384 0 C-N-CA 124.689 1.196 . . . . 0.0 112.837 -176.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.61 -50.12 0.09 OUTLIER 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.317 2.011 . . . . 0.0 114.429 -169.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.34 -34.88 73.19 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -169.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -63.64 -37.38 87.11 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.085 -1.01 . . . . 0.0 112.379 177.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -59.55 -42.38 92.27 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.688 1.131 . . . . 0.0 111.827 173.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 38.7 m -59.48 -41.01 88.82 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.189 0.596 . . . . 0.0 110.939 174.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -67.48 -37.04 82.28 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.724 -0.61 . . . . 0.0 112.253 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 69.9 t -61.16 -48.06 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.481 1.037 . . . . 0.0 111.227 170.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -60.99 -44.33 97.56 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.763 0.711 . . . . 0.0 111.898 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.39 -53.0 63.23 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.426 0.69 . . . . 0.0 111.429 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.72 -53.88 51.16 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.056 0.942 . . . . 0.0 112.589 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -63.3 -29.99 71.21 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.21 -0.931 . . . . 0.0 112.956 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.92 -36.51 90.39 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.408 1.004 . . . . 0.0 113.215 169.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -73.96 -36.73 64.63 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 118.411 1.105 . . . . 0.0 111.528 172.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 90.6 t -59.39 -54.4 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.826 0.85 . . . . 0.0 111.205 176.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.05 -128.1 4.34 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.326 0.965 . . . . 0.0 113.883 -177.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.01 -22.48 49.84 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -72.37 -6.79 45.88 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.01 -44.03 63.96 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 120.854 -1.154 . . . . 0.0 112.792 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.15 -45.93 95.03 Favored Glycine 0 C--N 1.341 0.854 0 CA-C-O 119.297 -0.724 . . . . 0.0 113.881 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -67.88 -36.96 81.16 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.57 1.185 . . . . 0.0 112.053 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -66.8 -37.8 85.24 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 121.135 -0.978 . . . . 0.0 112.507 173.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.46 -43.97 91.27 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 121.186 -0.946 . . . . 0.0 112.368 173.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.86 -50.55 72.11 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.105 0.962 . . . . 0.0 111.072 174.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -65.25 -24.74 67.41 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 124.116 0.966 . . . . 0.0 113.443 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.45 -38.41 49.46 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.555 1.07 . . . . 0.0 111.884 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.09 -44.03 97.98 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.523 0.729 . . . . 0.0 110.658 169.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -61.06 -49.48 77.18 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.307 0.643 . . . . 0.0 112.278 173.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -60.52 -36.93 79.57 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 117.902 -1.047 . . . . 0.0 112.583 175.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 26.8 ttp -55.44 -52.14 64.58 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.977 1.262 . . . . 0.0 111.396 169.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -55.87 29.1 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 117.956 0.344 . . . . 0.0 111.644 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.06 -29.67 69.52 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.583 0.628 . . . . 0.0 112.158 -173.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 35' ' ' SER . . . . . 0.681 ' HA ' ' HB2' ' D' ' 128' ' ' ALA . 8.2 t -72.24 -24.22 61.34 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 177.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -150.81 67.51 7.88 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 123.762 0.825 . . . . 0.0 110.198 -172.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -51.53 -27.65 25.84 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.835 3.023 . . . . 0.0 115.242 -171.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.18 -33.85 13.24 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.889 1.676 . . . . 0.0 114.417 172.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 35.9 p -71.14 -18.07 62.52 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 120.856 1.662 . . . . 0.0 114.039 175.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -57.61 -31.21 66.0 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 120.93 1.696 . . . . 0.0 112.952 -178.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 1.7 t -73.22 -18.03 61.28 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -32.64 74.13 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.772 -1.205 . . . . 0.0 112.195 177.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -148.07 78.16 9.72 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.665 1.586 . . . . 0.0 111.446 174.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -77.65 -0.86 11.04 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 C-N-CA 123.739 2.959 . . . . 0.0 114.372 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.17 0.28 0.44 Allowed 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 -176.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.99 147.7 42.51 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.3 1.44 . . . . 0.0 112.826 -176.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -77.17 152.15 34.96 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.461 0.704 . . . . 0.0 110.407 167.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -154.57 14.04 0.42 Allowed 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 115.254 1.576 . . . . 0.0 115.254 -174.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -86.8 56.41 3.99 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.156 1.383 . . . . 0.0 112.875 -173.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 69.13 118.15 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.567 2.347 . . . . 0.0 113.761 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.24 14.34 74.61 Favored Glycine 0 CA--C 1.536 1.389 0 O-C-N 121.135 -0.978 . . . . 0.0 115.088 174.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -58.51 133.89 56.22 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.444 1.097 . . . . 0.0 112.86 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.14 -26.68 68.45 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.038 0.935 . . . . 0.0 113.378 173.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -81.69 -40.33 22.97 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.737 -0.602 . . . . 0.0 111.741 175.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -66.14 -33.84 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 121.286 -0.884 . . . . 0.0 111.882 175.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -60.27 -37.77 81.48 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 120.041 1.292 . . . . 0.0 112.69 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.88 -53.15 6.49 Favored Glycine 0 N--CA 1.471 1.03 0 C-N-CA 124.395 0.997 . . . . 0.0 111.85 177.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.41 -33.95 68.4 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.801 -0.823 . . . . 0.0 111.973 175.245 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -61.6 -50.66 63.99 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 124.973 1.273 . . . . 0.0 113.806 170.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -56.79 -36.21 69.62 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 118.988 1.394 . . . . 0.0 113.166 170.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -66.12 -51.74 55.08 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.087 0.858 . . . . 0.0 112.943 173.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 76.5 t -57.01 -43.17 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 119.475 1.034 . . . . 0.0 111.091 174.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.82 -48.46 81.24 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.015 0.926 . . . . 0.0 113.261 174.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.07 -38.78 87.46 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.924 0.784 . . . . 0.0 112.217 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 65' ' ' ALA . . . . . 0.426 ' HB2' HMA1 ' C' ' 201' ' ' HEC . . . -61.26 -45.56 94.02 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 170.084 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.27 -44.6 88.5 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.628 172.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 96.2 m -57.55 -49.18 77.19 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.736 1.153 . . . . 0.0 111.822 172.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -22.23 65.65 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 120.143 1.338 . . . . 0.0 113.018 177.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.19 -51.63 20.26 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 119.495 1.043 . . . . 0.0 110.394 167.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 69.9 t -54.59 -47.16 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 119.963 1.256 . . . . 0.0 111.465 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.29 -21.49 49.14 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.092 1.357 . . . . 0.0 113.899 -178.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -143.2 35.58 1.35 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.58 1.152 . . . . 0.0 111.313 -176.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.16 -23.69 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 119.555 -1.966 . . . . 0.0 115.927 -162.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -119.1 27.36 8.89 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.642 1.177 . . . . 0.0 112.469 170.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -153.71 29.15 0.47 Allowed 'General case' 0 CA--C 1.559 1.307 0 C-N-CA 129.186 2.994 . . . . 0.0 111.531 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 15.1 ptt? -101.2 18.08 0.05 OUTLIER Pre-proline 0 N--CA 1.481 1.085 0 N-CA-C 116.261 1.949 . . . . 0.0 116.261 -176.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -64.9 -41.75 16.75 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 CA-C-N 123.475 2.277 . . . . 0.0 113.651 -161.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -84.6 -19.54 32.87 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.053 0.941 . . . . 0.0 113.005 171.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.19 -10.15 52.21 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -173.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 52.2 mt -107.31 5.44 27.52 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.695 1.134 . . . . 0.0 113.102 168.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 58.7 m -59.52 -35.09 73.49 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.649 -1.282 . . . . 0.0 113.357 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.16 -16.31 43.26 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 172.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mt -97.04 -38.75 9.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.483 1.513 . . . . 0.0 110.725 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 14.9 t -52.08 -42.71 63.42 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.693 1.197 . . . . 0.0 111.418 161.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.67 -53.82 42.05 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.711 1.204 . . . . 0.0 111.927 170.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -54.58 -53.07 59.43 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.367 0.985 . . . . 0.0 111.017 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -53.05 -43.63 66.78 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.793 1.237 . . . . 0.0 113.58 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.79 -31.83 14.22 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -173.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -84.48 -45.59 12.5 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.092 0.957 . . . . 0.0 112.819 -176.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER -147.52 51.81 1.06 Allowed 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -178.256 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.93 -62.23 0.86 Allowed 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.496 -0.753 . . . . 0.0 111.193 169.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 57.24 18.47 4.27 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.64 1.176 . . . . 0.0 113.549 -175.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 58.2 t -83.2 143.06 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 126.516 1.926 . . . . 0.0 111.637 -173.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -58.79 143.32 82.91 Favored Pre-proline 0 CA--C 1.551 1.003 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 172.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -50.77 -17.01 2.74 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 124.291 3.327 . . . . 0.0 116.536 173.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.04 -40.72 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 119.783 1.174 . . . . 0.0 112.994 171.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -65.51 -34.08 77.42 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.444 -0.788 . . . . 0.0 112.507 175.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 98' ' ' PHE . . . . . 0.438 ' C ' ' CD1' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -59.57 -51.48 69.66 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.598 1.09 . . . . 0.0 109.029 170.212 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -56.16 -51.67 67.14 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.274 0.559 . . . . 0.0 109.866 -175.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 63.8 mt -58.72 -50.17 74.88 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.932 0.893 . . . . 0.0 112.24 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.46 -41.53 93.27 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.829 1.195 . . . . 0.0 112.588 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 37.6 m -66.01 -46.13 79.04 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 120.215 1.371 . . . . 0.0 112.791 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -61.19 -43.8 98.31 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.602 1.092 . . . . 0.0 111.265 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 90.6 m -67.41 -33.8 75.91 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 27.5 mt -64.58 -47.26 79.37 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.145 1.338 . . . . 0.0 111.222 170.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 7.7 mt -53.9 -42.67 68.94 Favored 'General case' 0 C--O 1.224 -0.246 0 O-C-N 121.623 -0.673 . . . . 0.0 111.371 171.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 37.2 t -69.21 -38.1 77.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 117.784 -1.103 . . . . 0.0 113.68 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 32.2 p -72.83 -39.83 66.28 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 121.761 2.073 . . . . 0.0 112.536 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 19.8 mt -56.43 -59.39 5.04 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 167.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -47.67 -47.26 29.59 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.62 -20.15 60.02 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 -174.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -131.17 -16.16 3.2 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -172.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.23 75.62 52.58 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 129.953 3.301 . . . . 0.0 106.994 170.174 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -44.71 146.09 2.45 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.86 3.04 . . . . 0.0 114.412 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.6 17.14 0.05 Allowed 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 176.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 51.96 18.88 0.88 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.813 2.045 . . . . 0.0 114.4 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 43.0 p90 44.36 8.42 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 128.953 2.901 . . . . 0.0 117.151 -166.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.08 144.08 81.52 Favored Pre-proline 0 N--CA 1.478 0.946 0 O-C-N 120.573 -1.329 . . . . 0.0 111.522 -176.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -64.44 -33.37 57.92 Favored 'Trans proline' 0 CA--C 1.537 0.675 0 C-N-CA 122.396 2.064 . . . . 0.0 112.339 175.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.56 72.86 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.647 0.658 . . . . 0.0 112.383 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 58.9 t -71.77 -38.53 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 119.863 1.21 . . . . 0.0 111.132 174.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -61.95 -34.43 76.1 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.324 -0.86 . . . . 0.0 113.153 172.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.22 -56.92 10.07 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.656 0.662 . . . . 0.0 110.144 165.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 26.7 p -59.04 -55.16 38.72 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 117.741 -1.123 . . . . 0.0 113.519 -164.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.32 -43.59 97.36 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 120.019 1.281 . . . . 0.0 112.268 -175.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.2 -51.36 31.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.28 0.632 . . . . 0.0 111.346 -175.101 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.18 -36.13 74.78 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.101 0.56 . . . . 0.0 111.313 169.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -67.43 -44.76 77.95 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 119.735 1.152 . . . . 0.0 111.322 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.94 -28.87 68.64 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.527 1.512 . . . . 0.0 111.577 173.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.42 97.38 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-O 118.118 -0.944 . . . . 0.0 113.219 166.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 95.3 p -76.66 -35.38 58.0 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 121.516 1.962 . . . . 0.0 113.736 176.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.63 -53.65 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.625 1.102 . . . . 0.0 108.998 165.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 26.6 t -52.35 -60.26 3.44 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.907 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 26.6 m -51.66 -47.56 63.73 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 117.916 -1.04 . . . . 0.0 112.564 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 80.8 t -71.02 -38.42 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 120.497 1.499 . . . . 0.0 111.98 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.81 -41.94 78.69 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 120.247 1.385 . . . . 0.0 110.316 168.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 70.2 p -91.91 31.32 1.25 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.971 1.708 . . . . 0.0 113.411 175.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 4.3 p -169.03 -154.88 0.13 Allowed 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.499 -1.376 . . . . 0.0 111.366 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 139' ' ' LYS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 139' ' ' LYS . 10.0 tmtt? -142.58 -53.07 0.4 Allowed 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 153.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.54 157.24 27.37 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -170.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.287 0 C-N-CA 125.904 1.681 . . . . 0.0 114.824 -164.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.315 7.4 p . . . . . 0 N--CA 1.513 2.718 0 CA-C-O 117.614 -1.184 . . . . 0.0 112.987 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 5.2 t60 34.99 74.07 0.07 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.057 2.143 . . . . 0.0 115.595 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 67.6 mt -54.58 122.66 11.05 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.371 -0.831 . . . . 0.0 111.269 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 61.6 m -52.55 132.43 45.22 Favored Pre-proline 0 N--CA 1.478 0.946 0 CA-C-O 117.253 -1.356 . . . . 0.0 109.558 168.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -48.76 -41.77 37.92 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.482 2.788 . . . . 0.0 116.512 -170.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -68.24 -36.93 80.23 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.484 -0.76 . . . . 0.0 112.367 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.01 -39.38 75.88 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.348 -0.845 . . . . 0.0 112.063 172.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -47.26 79.18 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 117.557 -1.211 . . . . 0.0 110.367 167.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 20.6 t -56.84 -47.02 81.29 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 120.05 1.295 . . . . 0.0 111.639 175.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.9 -57.31 11.45 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.491 1.116 . . . . 0.0 113.891 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 11' ' ' VAL . . . . . 0.522 HG23 ' CE1' ' D' ' 130' ' ' TYR . 0.2 OUTLIER -70.77 -49.89 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 119.177 0.899 . . . . 0.0 111.63 176.692 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 17.6 m -66.29 -35.53 80.63 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.78 1.173 . . . . 0.0 112.229 -167.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.9 -38.07 87.77 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.395 0.998 . . . . 0.0 112.464 172.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 tt -70.38 -34.95 73.17 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.253 -0.904 . . . . 0.0 111.334 173.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -36.53 76.0 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.638 1.175 . . . . 0.0 112.725 166.307 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.45 -41.8 98.75 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.81 1.195 . . . . 0.0 113.963 175.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -86.85 -16.93 34.62 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 175.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.14 131.26 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.883 1.273 . . . . 0.0 111.865 -178.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -88.47 77.88 7.98 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.548 1.139 . . . . 0.0 109.813 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -50.0 -38.95 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 124.813 1.245 . . . . 0.0 113.676 -168.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -13.56 62.36 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.833 1.253 . . . . 0.0 114.136 -178.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -124.6 -50.13 1.75 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.725 1.21 . . . . 0.0 111.17 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.71 -29.63 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 119.285 0.948 . . . . 0.0 112.798 173.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.77 -39.89 11.42 Favored Glycine 0 N--CA 1.472 1.064 0 O-C-N 121.337 -0.852 . . . . 0.0 112.676 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.95 -43.05 99.87 Favored Glycine 0 N--CA 1.476 1.305 0 CA-C-N 118.16 0.98 . . . . 0.0 112.008 169.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -56.69 -56.58 19.63 Favored 'General case' 0 C--O 1.214 -0.793 0 C-N-CA 124.487 1.115 . . . . 0.0 111.014 167.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.58 94.3 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 121.43 1.923 . . . . 0.0 114.369 -176.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 33.6 tp -69.63 -49.52 53.08 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.136 0.88 . . . . 0.0 111.834 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.62 -39.68 96.86 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-N 118.298 0.499 . . . . 0.0 112.22 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -54.49 -45.72 73.29 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 117.163 -1.398 . . . . 0.0 112.037 172.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -49.24 17.01 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 120.086 1.312 . . . . 0.0 112.057 -177.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 32' ' ' LEU . . . . . 0.495 HD22 ' H ' ' D' ' 32' ' ' LEU . 2.3 mm? -62.4 -44.32 96.72 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.109 0.964 . . . . 0.0 112.736 179.212 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -78.34 -27.91 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 121.374 -0.829 . . . . 0.0 112.508 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 19.1 t -67.77 -46.35 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.71 2.004 . . . . 0.0 111.07 175.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -133.78 83.68 46.61 Favored Pre-proline 0 CA--C 1.539 0.549 0 C-N-CA 124.619 1.167 . . . . 0.0 110.472 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_exo -50.08 -18.79 3.48 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 124.714 3.609 . . . . 0.0 117.04 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 -60.24 -33.79 72.78 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 120.135 1.334 . . . . 0.0 112.979 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 73.0 p -62.72 -20.99 65.45 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -53.4 -30.67 41.24 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.909 0.884 . . . . 0.0 113.135 167.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -60.04 -15.73 25.29 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 120.979 1.718 . . . . 0.0 114.228 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -108.88 1.48 20.85 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.077 1.751 . . . . 0.0 113.299 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -53.32 59.61 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.205 1.366 . . . . 0.0 112.475 -173.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 26.05 5.1 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.471 1 C-N-CA 134.547 5.139 . . . . 0.0 120.627 -176.386 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -162.3 -28.56 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.049 2.14 . . . . 0.0 113.087 -169.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -52.28 -32.55 37.95 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 176.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.64 159.49 17.55 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.841 1.21 . . . . 0.0 114.858 175.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 49.4 t0 42.49 -98.42 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 127.084 2.154 . . . . 0.0 114.078 -173.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 47.43 10.02 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 119.019 2.97 . . . . 0.0 119.019 176.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -57.8 -22.15 45.8 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -172.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 68.8 p -134.43 162.48 57.47 Favored Pre-proline 0 N--CA 1.473 0.713 0 C-N-CA 126.209 1.804 . . . . 0.0 110.643 171.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -50.01 -40.67 49.79 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.069 2.513 . . . . 0.0 114.399 167.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -62.8 -44.53 95.91 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.503 0.721 . . . . 0.0 111.725 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.72 -45.12 94.22 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.661 0.784 . . . . 0.0 112.88 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -66.21 -37.79 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 O-C-N 121.1 -1.0 . . . . 0.0 112.669 -177.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 3.0 ttm -79.56 -12.75 59.84 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.94 -21.89 9.82 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.988 1.28 . . . . 0.0 115.079 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -55.14 117.04 12.98 Favored Pre-proline 0 CA--C 1.557 1.237 0 CA-C-N 119.185 1.492 . . . . 0.0 111.926 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -51.24 -40.32 61.04 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 123.946 3.097 . . . . 0.0 115.167 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -26.1 61.57 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.999 -1.063 . . . . 0.0 112.582 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.21 -33.24 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 CA-C-N 119.44 1.018 . . . . 0.0 111.513 169.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.71 -45.02 88.36 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 120.426 1.466 . . . . 0.0 111.739 168.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.85 -49.45 77.66 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -67.16 -28.3 68.0 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.469 -1.394 . . . . 0.0 112.215 174.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.81 -49.08 82.38 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.828 1.68 . . . . 0.0 113.043 168.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -58.51 -40.26 82.37 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 122.042 -0.681 . . . . 0.0 111.497 168.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -63.69 -51.8 63.47 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.299 1.04 . . . . 0.0 112.661 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 13.8 p -62.53 -46.54 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 119.354 0.979 . . . . 0.0 112.363 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.57 -37.44 76.99 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.482 -0.761 . . . . 0.0 110.751 177.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.59 -43.99 46.39 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 125.161 1.363 . . . . 0.0 112.904 169.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.33 -48.48 81.11 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.558 1.179 . . . . 0.0 112.516 172.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 71' ' ' PHE . . . . . 0.509 ' HZ ' HBB2 ' D' ' 201' ' ' HEC . 62.2 m-85 -59.09 -37.02 76.13 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.316 -1.49 . . . . 0.0 113.24 172.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 7.3 t -67.73 -44.14 78.3 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.167 1.387 . . . . 0.0 112.753 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -56.55 -37.32 70.35 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.902 0.881 . . . . 0.0 111.27 168.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.16 -57.65 18.11 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 123.453 0.549 . . . . 0.0 112.313 170.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.5 mt -57.78 -24.43 57.11 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 176.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.43 -19.76 27.59 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.567 1.547 . . . . 0.0 114.882 175.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -141.19 41.07 1.78 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.648 1.579 . . . . 0.0 112.767 -172.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 96.2 mt -55.65 -19.19 9.71 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.65 -1.282 . . . . 0.0 114.257 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -52.83 -42.14 64.88 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.733 1.613 . . . . 0.0 113.126 172.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -153.63 113.31 3.84 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.678 1.591 . . . . 0.0 110.223 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 88.6 mt -94.25 2.48 55.88 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.11 0.964 . . . . 0.0 113.445 176.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -87.17 -53.06 5.06 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 120.45 -1.406 . . . . 0.0 112.449 -174.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.24 -36.82 71.18 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 123.661 0.648 . . . . 0.0 113.555 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.9 p -69.37 -12.6 61.79 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.21 1.804 . . . . 0.0 114.431 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -130.06 9.53 5.31 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.241 1.416 . . . . 0.0 112.952 -177.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.22 -34.5 70.48 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -170.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 21.8 p -65.97 -39.28 90.24 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.96 0.904 . . . . 0.0 111.908 171.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 53.3 mt -73.74 -40.59 63.42 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.581 1.152 . . . . 0.0 111.645 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 96.5 p -64.34 -41.66 96.65 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 119.82 1.191 . . . . 0.0 111.462 176.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -58.12 -48.44 80.2 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.562 -0.711 . . . . 0.0 112.685 170.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 15.4 tp -51.6 -55.09 21.21 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.738 0.815 . . . . 0.0 111.712 173.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -74.75 -30.92 61.64 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.106 -0.996 . . . . 0.0 113.247 -173.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 85.2 m -78.77 -39.17 36.73 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.684 1.129 . . . . 0.0 113.793 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -107.42 -24.53 11.79 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -169.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.2 -24.99 19.75 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.983 0.811 . . . . 0.0 113.077 174.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 32.3 mt -128.2 -44.84 1.41 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.528 1.131 . . . . 0.0 113.591 -172.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 15.0 t60 56.2 22.16 5.89 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 127.544 2.337 . . . . 0.0 116.391 -176.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 23.2 m -61.19 154.32 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 O-C-N 120.766 -1.209 . . . . 0.0 112.549 173.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.14 157.64 86.56 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 127.923 2.489 . . . . 0.0 113.078 -176.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -49.05 -41.29 40.77 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 124.625 3.55 . . . . 0.0 115.187 178.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -61.02 -30.11 70.11 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 120.856 -1.153 . . . . 0.0 113.289 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -62.67 -40.88 98.47 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.98 0.809 . . . . 0.0 111.49 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -65.65 -46.79 77.82 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.58 0.752 . . . . 0.0 110.25 174.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -55.47 -43.81 75.87 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.994 0.518 . . . . 0.0 110.974 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 34.9 mt -58.36 -44.92 89.03 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.925 1.29 . . . . 0.0 113.495 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.02 -46.51 88.03 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.702 1.137 . . . . 0.0 110.491 173.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.21 -38.41 95.59 Favored Glycine 0 CA--C 1.535 1.302 0 O-C-N 121.137 -0.977 . . . . 0.0 113.918 174.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -63.37 -40.03 96.15 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.582 1.191 . . . . 0.0 111.716 174.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 71.0 t -59.39 -54.45 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.314 -0.866 . . . . 0.0 110.61 167.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 45.8 tp -50.91 -53.59 31.4 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.301 1.04 . . . . 0.0 111.968 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 24.9 m -60.06 -35.69 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 118.849 0.749 . . . . 0.0 112.522 177.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 24.5 t -64.47 -38.08 89.76 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.763 0.711 . . . . 0.0 111.681 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 1.9 m -68.0 -43.68 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 121.09 -1.006 . . . . 0.0 111.486 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -38.64 85.33 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.504 -0.748 . . . . 0.0 111.609 172.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.55 -21.52 62.65 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.056 0.843 . . . . 0.0 112.923 172.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.79 -63.27 1.42 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.591 0.756 . . . . 0.0 111.476 166.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -66.2 -27.33 67.9 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -170.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -114.72 27.95 9.08 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.175 1.79 . . . . 0.0 111.119 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.57 -37.47 50.15 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.927 1.251 . . . . 0.0 115.412 -175.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -64.95 -7.5 11.81 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.541 1.536 . . . . 0.0 114.791 173.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -125.9 21.97 7.48 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.111 1.765 . . . . 0.0 111.877 -168.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -58.77 83.84 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 127.045 2.138 . . . . 0.0 113.749 175.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.26 149.5 94.33 Favored Pre-proline 0 N--CA 1.481 1.106 0 O-C-N 120.353 -1.467 . . . . 0.0 111.444 176.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 124' ' ' PRO . . . . . 0.447 ' CB ' ' HD3' ' D' ' 125' ' ' PRO 0.364 13.1 Cg_exo -33.62 -93.35 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.052 1 C-N-CA 126.978 5.119 . . . . 0.0 118.159 -173.896 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' D' D ' 125' ' ' PRO . . . . . 0.447 ' HD3' ' CB ' ' D' ' 124' ' ' PRO . 71.6 Cg_exo -70.21 17.84 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 CA-C-N 124.538 2.656 . . . . 0.0 118.718 169.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 2.0 p -53.76 -43.11 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 CA-C-N 123.273 2.76 . . . . 0.0 113.881 -167.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -64.46 -41.16 96.69 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.42 -0.8 . . . . 0.0 111.691 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 128' ' ' ALA . . . . . 0.681 ' HB2' ' HA ' ' C' ' 35' ' ' SER . . . -60.94 -46.11 92.01 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.324 1.05 . . . . 0.0 111.755 174.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.23 -43.59 95.92 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.147 0.979 . . . . 0.0 111.206 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 130' ' ' TYR . . . . . 0.522 ' CE1' HG23 ' D' ' 11' ' ' VAL . 37.8 m-85 -59.75 -52.34 65.92 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 118.565 -0.731 . . . . 0.0 112.422 168.11 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.02 -37.92 64.6 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.837 1.199 . . . . 0.0 112.583 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -61.84 -51.76 66.92 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.827 1.251 . . . . 0.0 113.404 173.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.36 -36.33 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 CA-C-N 119.941 1.246 . . . . 0.0 112.962 175.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 25.8 t -59.26 -45.61 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.963 1.305 . . . . 0.0 111.336 173.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.14 94.42 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.141 0.882 . . . . 0.0 111.727 175.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.58 -50.65 63.46 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 123.374 0.512 . . . . 0.0 112.86 170.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 32.8 t -60.89 -44.62 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 117.921 0.86 . . . . 0.0 112.319 175.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -57.79 -49.67 75.84 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.311 0.96 . . . . 0.0 111.932 175.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.27 -37.03 85.64 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.751 -0.593 . . . . 0.0 112.272 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.69 96.22 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.348 -0.845 . . . . 0.0 112.648 172.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 8.7 mt -68.18 -31.95 71.85 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 120.556 -1.34 . . . . 0.0 112.153 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.46 -6.64 41.94 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 169.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -56.21 -41.63 75.91 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.191 -1.568 . . . . 0.0 113.114 -173.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -70.35 5.84 1.59 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.349 1.46 . . . . 0.0 114.876 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -59.0 -17.8 28.37 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 120.346 1.43 . . . . 0.0 113.671 168.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 3.2 p80 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 125.472 1.509 . . . . 0.0 114.956 176.767 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.461 ' HHD' HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 201' ' ' HEC . . . . . 0.497 HBB2 ' HZ ' ' B' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 201' ' ' HEC . . . . . 0.459 HBC3 ' HHD' ' C' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 201' ' ' HEC . . . . . 0.509 HBB2 ' HZ ' ' D' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.497 1.912 0 CA-C-O 116.147 -1.883 . . . . 0.0 108.468 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.403 ' CD1' HG22 ' A' ' 73' ' ' VAL . 46.1 mt 131.7 -169.87 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 131.157 3.783 . . . . 0.0 111.15 -173.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.52 165.28 23.73 Favored Pre-proline 0 N--CA 1.476 0.843 0 C-N-CA 127.003 2.121 . . . . 0.0 112.363 -173.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.78 -39.77 1.71 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.215 1.944 . . . . 0.0 112.111 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.49 -34.19 60.84 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 118.816 -0.612 . . . . 0.0 112.201 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.434 ' OD2' ' HE3' ' A' ' 127' ' ' LYS . 0.6 OUTLIER -61.17 -44.41 97.34 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 119.953 1.251 . . . . 0.0 110.702 178.076 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -51.75 -50.86 59.8 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.938 0.895 . . . . 0.0 112.338 173.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.3 m -54.85 -44.43 73.97 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.259 0.936 . . . . 0.0 111.469 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -72.42 -33.09 66.86 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.8 -51.06 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-N 119.175 0.898 . . . . 0.0 110.384 169.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -60.88 -41.32 95.75 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.746 0.819 . . . . 0.0 111.021 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.58 -54.14 49.98 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.302 0.641 . . . . 0.0 111.384 172.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.8 -54.06 47.13 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.657 0.662 . . . . 0.0 111.973 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -65.65 -25.07 67.18 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.028 0.931 . . . . 0.0 113.463 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.85 -36.8 93.88 Favored Glycine 0 CA--C 1.534 1.263 0 O-C-N 121.18 -0.95 . . . . 0.0 113.253 169.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -77.1 -32.48 56.63 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 118.043 0.922 . . . . 0.0 111.765 172.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.6 t -58.94 -50.98 77.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.146 0.978 . . . . 0.0 111.41 173.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.45 -134.62 6.6 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 123.887 0.756 . . . . 0.0 113.79 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.73 -19.57 64.08 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -70.4 -6.51 36.14 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.042 -1.036 . . . . 0.0 113.54 176.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -40.05 -56.42 1.87 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.443 1.497 . . . . 0.0 113.074 175.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.95 -33.47 87.33 Favored Glycine 0 N--CA 1.468 0.83 0 O-C-N 121.657 -0.652 . . . . 0.0 114.247 -178.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.36 -47.57 85.26 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.385 1.074 . . . . 0.0 109.755 173.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -67.47 -37.94 83.65 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.901 0.48 . . . . 0.0 111.964 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.81 -49.27 80.52 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-N 118.625 0.648 . . . . 0.0 112.708 171.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.72 -49.83 75.91 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.138 0.969 . . . . 0.0 111.292 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -57.32 -37.26 72.23 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 173.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -67.92 -37.31 81.51 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.198 0.908 . . . . 0.0 113.033 -179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.46 -46.41 88.61 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.148 0.979 . . . . 0.0 111.531 170.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.42 -48.04 83.01 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.792 -0.568 . . . . 0.0 112.023 176.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -54.33 -46.18 72.84 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 118.198 -0.906 . . . . 0.0 111.753 172.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.8 ttp -57.48 -46.61 83.5 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.977 0.808 . . . . 0.0 112.675 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.43 -54.14 50.2 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.583 0.629 . . . . 0.0 110.918 172.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.8 -40.64 97.14 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.297 0.639 . . . . 0.0 112.273 -173.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.8 p -76.51 -29.68 56.88 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.133 1.373 . . . . 0.0 112.922 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.89 76.01 23.62 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.714 1.606 . . . . 0.0 109.32 -172.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -49.53 -28.1 15.71 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 124.279 3.319 . . . . 0.0 115.392 -177.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -40.64 -44.99 2.26 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.631 1.972 . . . . 0.0 113.343 165.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 p -63.34 -26.21 68.66 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -176.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -54.78 -30.98 58.16 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.611 1.096 . . . . 0.0 113.04 174.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 t -59.03 -31.41 68.81 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 175.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.422 ' CD1' HG22 ' A' ' 93' ' ' VAL . 30.2 m-85 -80.27 12.06 3.16 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.828 1.251 . . . . 0.0 113.6 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -123.64 63.39 27.4 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 126.583 1.953 . . . . 0.0 110.586 172.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -70.42 -4.65 14.9 Favored 'Trans proline' 0 CA--C 1.548 1.18 0 C-N-CA 123.917 3.078 . . . . 0.0 114.512 -176.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.85 22.03 1.6 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.127 1.771 . . . . 0.0 113.736 -170.018 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -129.03 109.17 10.98 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.75 1.22 . . . . 0.0 110.31 -168.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -73.9 113.38 10.99 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.613 -0.68 . . . . 0.0 111.203 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.8 mt -89.1 35.01 0.79 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.008 0.923 . . . . 0.0 112.216 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.0 m -53.38 150.99 5.85 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.519 1.528 . . . . 0.0 112.105 174.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -58.33 125.07 21.7 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.23 -0.919 . . . . 0.0 110.976 176.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.63 20.58 78.6 Favored Glycine 0 CA--C 1.541 1.66 0 CA-C-O 118.842 -0.977 . . . . 0.0 115.074 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.51 117.18 2.27 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.062 1.431 . . . . 0.0 114.102 -175.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.33 -35.92 68.16 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.436 1.095 . . . . 0.0 113.01 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -63.22 -38.35 90.81 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 173.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.6 t -70.46 -42.89 78.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 CA-C-N 119.789 1.177 . . . . 0.0 110.874 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -60.66 -47.79 84.66 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.876 0.871 . . . . 0.0 111.561 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.98 -57.45 19.66 Favored Glycine 0 C--O 1.222 -0.656 0 C-N-CA 125.154 1.359 . . . . 0.0 111.882 173.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -52.32 -43.77 64.73 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.68 1.24 . . . . 0.0 112.237 176.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.47 -49.1 40.27 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.262 -0.743 . . . . 0.0 114.249 170.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -55.8 -44.91 78.25 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.417 1.109 . . . . 0.0 111.934 172.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' HB3' HMA3 ' A' ' 201' ' ' HEC . 51.0 mttt -62.84 -52.07 64.56 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 118.945 0.793 . . . . 0.0 111.649 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.0 t -53.25 -47.45 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.993 0.917 . . . . 0.0 110.805 175.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.52 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -73.62 -34.42 65.02 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -176.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -65.39 -36.65 84.63 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 121.162 -0.961 . . . . 0.0 111.58 170.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.44 -30.13 70.42 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.154 -0.966 . . . . 0.0 112.787 168.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -45.72 90.09 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.733 -1.23 . . . . 0.0 111.255 166.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 54.0 m -55.36 -46.41 76.44 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 120.143 1.338 . . . . 0.0 112.479 169.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.93 -27.5 65.81 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.839 -1.163 . . . . 0.0 112.816 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.57 -56.61 14.6 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 117.182 -1.39 . . . . 0.0 110.422 160.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -48.47 -39.6 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 CA-C-N 121.359 1.89 . . . . 0.0 112.666 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.17 -24.7 66.7 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -145.43 42.16 1.26 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.002 1.721 . . . . 0.0 112.95 -169.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.403 HG22 ' CD1' ' A' ' 2' ' ' LEU . 7.3 p -87.31 -45.76 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -161.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -80.29 -7.91 59.24 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 120.696 1.589 . . . . 0.0 111.729 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -119.49 2.68 11.25 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.325 -1.484 . . . . 0.0 113.57 -170.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 mtt -27.31 88.33 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.19 0 C-N-CA 128.216 2.607 . . . . 0.0 115.427 -167.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -91.57 49.62 0.66 Allowed 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.522 2.814 . . . . 0.0 111.487 -165.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . 0.339 0.0 OUTLIER 72.44 16.49 4.94 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.503 1.921 . . . . 0.0 114.457 -164.591 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.12 -16.81 61.22 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -177.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.1 mt -101.48 4.19 40.97 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 119.589 1.086 . . . . 0.0 112.504 170.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.6 t -59.74 -36.64 77.01 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.777 -1.202 . . . . 0.0 113.649 -174.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.7 -28.15 63.57 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.252 0.933 . . . . 0.0 112.571 172.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mt -85.17 -43.1 14.12 Favored 'General case' 0 CA--C 1.526 0.052 0 C-N-CA 124.722 1.209 . . . . 0.0 110.341 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -55.47 -38.75 69.49 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.874 -0.584 . . . . 0.0 111.606 169.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -64.37 -48.25 76.19 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.069 1.348 . . . . 0.0 112.561 171.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.17 -45.58 72.13 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.451 1.023 . . . . 0.0 110.254 175.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -69.37 -61.99 1.56 Allowed 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.657 -0.652 . . . . 0.0 110.242 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.6 -28.48 65.63 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -173.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -109.18 3.87 22.29 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.067 0.947 . . . . 0.0 112.993 -174.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -142.04 -35.95 0.43 Allowed 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -176.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.87 -48.42 0.33 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 115.659 1.726 . . . . 0.0 115.659 -173.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 52.54 50.0 19.17 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 127.642 2.377 . . . . 0.0 114.955 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.422 HG22 ' CD1' ' A' ' 42' ' ' TYR . 6.3 t -59.35 148.37 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.508 0.723 . . . . 0.0 112.076 175.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.501 ' HB2' HG12 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -64.2 139.68 97.75 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 123.978 0.911 . . . . 0.0 111.587 175.389 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.23 -13.02 1.77 Allowed 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 124.019 3.146 . . . . 0.0 115.547 170.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.501 HG12 ' HB2' ' A' ' 94' ' ' ASP . 9.3 p -51.43 -45.39 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 120.79 1.632 . . . . 0.0 111.946 168.281 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.43 ' CB ' HMC1 ' A' ' 201' ' ' HEC . 3.2 m120 -59.11 -37.85 78.17 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.439 -0.788 . . . . 0.0 111.03 174.312 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.446 ' CG ' ' HB3' ' A' ' 133' ' ' SER . 12.4 t80 -60.27 -51.01 71.36 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 118.561 -0.733 . . . . 0.0 110.881 173.112 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -57.59 -32.21 66.95 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 119.283 0.947 . . . . 0.0 112.262 -177.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.8 mt -70.65 -57.76 4.37 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.412 1.085 . . . . 0.0 110.003 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.3 tp -50.54 -45.1 56.7 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.837 1.655 . . . . 0.0 112.725 176.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.9 p -65.66 -44.96 84.73 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.371 -0.83 . . . . 0.0 112.827 -178.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -39.07 88.85 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.566 -0.708 . . . . 0.0 111.068 170.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 76.8 m -64.25 -38.4 90.92 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.579 -0.701 . . . . 0.0 111.188 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.1 mt -63.66 -49.7 72.16 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.228 1.011 . . . . 0.0 111.638 173.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.2 mt -49.58 -47.44 49.41 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.283 0.947 . . . . 0.0 110.608 173.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.2 t -54.34 -48.56 67.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 123.353 0.661 . . . . 0.0 112.405 173.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -38.68 89.23 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 120.402 1.455 . . . . 0.0 112.581 177.085 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mt -59.23 -44.16 92.34 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.853 0.751 . . . . 0.0 109.836 176.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.65 -35.75 68.73 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.417 -0.802 . . . . 0.0 112.876 175.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.21 -6.98 10.82 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -137.91 -31.09 0.79 Allowed 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -173.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.2 170.32 16.57 Favored Pre-proline 0 CA--C 1.555 1.157 0 C-N-CA 124.919 1.287 . . . . 0.0 109.949 168.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -75.07 -128.67 0.01 OUTLIER 'Trans proline' 0 CA--C 1.546 1.096 0 C-N-CA 122.741 2.294 . . . . 0.0 108.798 164.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.4 61.07 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.408 1.483 . . . . 0.0 113.847 172.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.86 -17.11 1.22 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 119.394 -2.066 . . . . 0.0 114.462 176.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.407 ' CE2' ' HA ' ' B' ' 113' ' ' VAL . 0.2 OUTLIER -97.31 28.68 3.54 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 127.296 2.239 . . . . 0.0 112.793 179.332 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.5 170.88 1.16 Allowed Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 119.127 -2.233 . . . . 0.0 111.226 168.257 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -56.78 -51.4 9.09 Favored 'Trans proline' 0 C--N 1.346 0.434 0 CA-C-N 122.744 2.016 . . . . 0.0 111.615 166.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.2 -34.46 77.69 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.665 -0.683 . . . . 0.0 112.705 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.8 t -96.9 -38.05 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.661 1.118 . . . . 0.0 112.781 -176.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -69.68 -49.48 53.11 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 120.482 1.492 . . . . 0.0 111.603 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.04 -50.74 72.41 Favored 'General case' 0 C--N 1.345 0.412 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.3 t -48.66 -60.86 2.37 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 118.082 -0.961 . . . . 0.0 112.897 174.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.95 -41.54 91.11 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.913 1.233 . . . . 0.0 112.17 -173.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.83 -50.37 72.54 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.444 1.02 . . . . 0.0 111.963 176.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.434 ' HE3' ' OD2' ' A' ' 6' ' ' ASP . 0.0 OUTLIER -71.73 -31.02 66.26 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 178.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -60.54 -56.64 18.94 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.781 1.233 . . . . 0.0 109.842 171.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.53 -37.47 81.29 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.671 177.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.52 -38.13 74.16 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 120.495 1.498 . . . . 0.0 114.2 170.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.1 m -70.99 -36.91 72.66 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 120.215 -1.553 . . . . 0.0 112.684 170.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 94.8 t -57.56 -49.38 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-O 117.18 -1.39 . . . . 0.0 109.485 171.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.446 ' HB3' ' CG ' ' A' ' 98' ' ' PHE . 1.4 p -60.43 -43.69 96.53 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 120.98 1.718 . . . . 0.0 113.209 174.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 42.9 m -51.0 -48.32 61.42 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.965 1.257 . . . . 0.0 110.913 174.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 64.0 t -78.94 -26.31 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -3.07 29.83 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.351 -1.468 . . . . 0.0 113.369 168.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 84.9 m -123.45 -17.91 6.37 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.405 1.482 . . . . 0.0 112.473 -176.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.8 p -63.86 136.62 57.54 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 120.882 -1.136 . . . . 0.0 112.613 173.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -74.15 138.27 43.73 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.937 0.895 . . . . 0.0 110.553 173.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 54.05 -45.47 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 129.444 3.097 . . . . 0.0 118.358 178.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 . . . . . 0 C--O 1.25 1.105 0 C-N-CA 126.627 1.971 . . . . 0.0 110.772 173.394 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' VAL . . . . . 0.431 HG11 HD22 ' B' ' 78' ' ' LEU 0.301 1.4 p . . . . . 0 N--CA 1.515 2.812 0 CA-C-O 117.638 -1.173 . . . . 0.0 112.779 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 35.97 67.19 0.31 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 126.887 2.075 . . . . 0.0 114.742 172.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.21 162.59 4.39 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.349 0.66 . . . . 0.0 112.407 -173.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.15 151.16 87.21 Favored Pre-proline 0 N--CA 1.479 1.019 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.452 166.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -52.85 -35.48 70.26 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 122.61 2.207 . . . . 0.0 114.662 172.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -73.4 -42.54 61.99 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.531 -0.73 . . . . 0.0 112.388 176.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -63.5 -44.99 92.74 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.481 -0.762 . . . . 0.0 111.534 173.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -51.53 66.94 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.486 1.114 . . . . 0.0 110.524 172.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.8 t -51.44 -48.44 62.73 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.556 0.616 . . . . 0.0 111.067 175.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.4 -56.95 15.54 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 4.1 p -62.75 -49.26 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 120.144 1.338 . . . . 0.0 111.621 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -75.21 -33.43 61.37 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.927 0.785 . . . . 0.0 112.58 -171.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.85 -35.77 79.14 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 120.3 1.409 . . . . 0.0 111.768 172.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -36.34 77.31 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.384 -0.822 . . . . 0.0 111.336 172.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -58.61 -42.78 88.94 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.927 0.891 . . . . 0.0 112.146 167.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.16 -31.67 59.33 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.461 1.505 . . . . 0.0 115.618 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -94.61 -12.3 27.71 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 118.41 1.105 . . . . 0.0 113.519 174.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.46 137.48 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 124.144 0.978 . . . . 0.0 111.801 -168.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -85.02 83.54 8.02 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 175.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 41.8 t -53.47 -33.74 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 119.699 1.136 . . . . 0.0 113.266 -169.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -38.81 92.31 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.617 1.567 . . . . 0.0 112.713 174.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -107.15 -40.14 5.51 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.451 0.7 . . . . 0.0 111.676 -166.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.26 -33.6 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 119.327 0.967 . . . . 0.0 110.805 162.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.12 -47.89 7.27 Favored Glycine 0 C--N 1.342 0.906 0 O-C-N 121.504 -0.748 . . . . 0.0 111.387 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.88 -43.3 94.85 Favored Glycine 0 C--N 1.337 0.611 0 CA-C-N 117.678 0.739 . . . . 0.0 112.572 171.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.56 ' HB2' HH11 ' B' ' 30' ' ' ARG . 4.4 pt-20 -72.14 -43.61 64.41 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 116.851 -1.547 . . . . 0.0 111.98 176.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.99 95.72 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 122.612 2.46 . . . . 0.0 112.229 177.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.2 tp -68.14 -45.45 73.55 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-O 119.377 -0.344 . . . . 0.0 111.702 177.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.36 -44.14 93.59 Favored Glycine 0 N--CA 1.465 0.621 0 O-C-N 120.881 -1.137 . . . . 0.0 111.52 171.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.56 HH11 ' HB2' ' B' ' 26' ' ' GLU . 0.6 OUTLIER -63.39 -21.7 66.44 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 116.829 -1.558 . . . . 0.0 113.759 177.297 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 tp -65.97 -55.23 17.82 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.85 1.659 . . . . 0.0 110.205 161.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.83 -31.66 72.42 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.465 -0.772 . . . . 0.0 112.016 -172.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.513 HG22 ' HA ' ' B' ' 30' ' ' ARG . 12.4 m -68.5 -19.81 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 t -63.52 -3.99 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 CA-C-N 120.876 1.671 . . . . 0.0 112.056 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 45.38 45.52 2.35 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 126.14 1.776 . . . . 0.0 111.704 -161.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -76.15 167.41 25.99 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 121.018 1.145 . . . . 0.0 109.203 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -51.85 -23.09 4.34 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 168.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 3.1 p -57.56 -23.62 51.6 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.768 -1.208 . . . . 0.0 112.567 171.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -55.55 -19.24 9.34 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.741 1.216 . . . . 0.0 113.32 174.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.422 ' HD3' ' CD2' ' B' ' 41' ' ' PHE . 0.0 OUTLIER -51.13 -39.99 57.5 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.315 1.871 . . . . 0.0 112.749 167.496 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 41' ' ' PHE . . . . . 0.422 ' CD2' ' HD3' ' B' ' 40' ' ' ARG . 68.0 m-85 -88.87 6.49 38.91 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.405 1.082 . . . . 0.0 113.462 -178.322 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.24 -27.01 5.3 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 176.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -50.63 -18.2 0.65 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 128.6 2.76 . . . . 0.0 116.369 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 30.4 p -109.13 -3.16 17.54 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.722 1.609 . . . . 0.0 114.176 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.476 ' HZ ' HBC3 ' B' ' 201' ' ' HEC . 29.4 m-85 -96.74 -17.14 20.49 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -171.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.06 150.78 0.55 Allowed Glycine 0 CA--C 1.536 1.396 0 CA-C-N 119.47 1.032 . . . . 0.0 114.619 -178.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 t0 37.54 -82.67 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 128.807 2.843 . . . . 0.0 115.939 -172.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 42.66 -12.01 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.236 1 C-N-CA 132.527 4.331 . . . . 0.0 121.61 176.44 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 21.9 t -58.15 -17.34 17.85 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.175 1.79 . . . . 0.0 114.551 -171.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.1 p -136.7 166.45 27.44 Favored Pre-proline 0 N--CA 1.472 0.646 0 C-N-CA 126.71 2.004 . . . . 0.0 109.782 -176.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -59.63 -53.44 3.33 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 121.702 1.601 . . . . 0.0 112.47 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.42 -36.14 73.14 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.213 1.005 . . . . 0.0 111.73 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.7 -59.87 4.52 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.258 0.623 . . . . 0.0 111.634 170.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.6 p -65.59 -35.27 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 120.485 -1.385 . . . . 0.0 113.479 -171.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 5.9 mtt -77.2 -30.79 54.94 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.54 0.736 . . . . 0.0 112.862 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.47 -24.46 23.82 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 123.905 0.764 . . . . 0.0 114.32 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -61.83 125.76 85.64 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 124.642 1.177 . . . . 0.0 112.996 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.33 -38.23 35.75 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.305 2.67 . . . . 0.0 113.645 -170.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -61.76 -38.55 88.44 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.186 0.903 . . . . 0.0 112.512 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 95.7 t -65.16 -37.63 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-O 118.701 -0.666 . . . . 0.0 110.806 172.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -67.93 -47.54 68.45 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 120.117 1.326 . . . . 0.0 111.873 175.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.86 75.63 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.97 0.908 . . . . 0.0 113.247 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.39 -36.53 80.51 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.748 -1.22 . . . . 0.0 111.09 171.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.0 -48.09 64.04 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 126.145 1.831 . . . . 0.0 113.192 169.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -60.56 -34.53 74.29 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 118.536 -0.745 . . . . 0.0 112.622 171.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -68.8 -50.35 50.96 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.103 0.961 . . . . 0.0 113.044 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -52.43 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 119.992 1.269 . . . . 0.0 111.139 175.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 tt -72.64 -32.26 65.75 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.944 -0.472 . . . . 0.0 112.263 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.72 -35.7 75.48 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 125.031 1.301 . . . . 0.0 112.793 170.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.14 86.74 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.726 1.263 . . . . 0.0 111.184 166.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.428 ' CE1' HG11 ' B' ' 137' ' ' VAL . 2.0 m-30 -59.18 -34.56 72.27 Favored 'General case' 0 CA--C 1.552 1.053 0 O-C-N 120.518 -1.364 . . . . 0.0 111.584 177.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -44.32 76.99 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.449 1.1 . . . . 0.0 113.63 171.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.22 -34.13 68.24 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.692 0.797 . . . . 0.0 111.457 170.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.42 -63.71 4.77 Favored Glycine 0 C--O 1.221 -0.679 0 CA-C-O 119.019 -0.878 . . . . 0.0 111.535 167.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.01 -31.53 30.06 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 118.983 1.391 . . . . 0.0 114.124 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.27 -25.62 51.59 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.788 1.635 . . . . 0.0 115.117 175.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -146.01 44.79 1.26 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.827 1.651 . . . . 0.0 112.645 -170.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.431 HD22 HG11 ' B' ' 1' ' ' VAL . 33.1 mt -57.45 -18.01 16.12 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -178.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -50.67 -39.87 52.15 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.465 1.506 . . . . 0.0 113.86 170.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -150.98 96.33 2.31 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.903 0.881 . . . . 0.0 112.096 -175.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.43 HD21 HD23 ' B' ' 78' ' ' LEU . 28.8 mt -81.46 -45.76 15.54 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.47 -0.768 . . . . 0.0 112.98 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -56.88 -23.85 47.64 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 173.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.5 -7.67 64.84 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.464 1.507 . . . . 0.0 115.142 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.81 -19.08 12.55 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 118.925 1.363 . . . . 0.0 112.758 175.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' PHE . . . . . 0.522 ' CE2' HG23 ' B' ' 137' ' ' VAL . 18.5 m-85 -108.43 5.57 25.45 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.09 -39.34 55.88 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 121.002 1.728 . . . . 0.0 114.992 -173.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 10.6 p -64.84 -35.95 82.75 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.424 1.09 . . . . 0.0 112.833 172.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.95 -41.77 70.67 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 124.578 1.151 . . . . 0.0 110.55 172.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -56.96 -42.41 80.06 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.651 1.114 . . . . 0.0 111.007 172.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -65.69 -45.1 84.11 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.328 -0.858 . . . . 0.0 112.688 172.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.07 -50.85 70.31 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 120.699 -1.251 . . . . 0.0 112.081 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -78.81 -8.33 58.69 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -176.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' B' ' 97' ' ' HIS . 11.4 t -119.61 -65.8 1.13 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.776 0.717 . . . . 0.0 112.764 176.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.59 -35.9 82.5 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.524 -1.36 . . . . 0.0 114.132 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -94.43 -69.36 0.76 Allowed 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 65.2 mt -77.69 -33.13 53.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.29 1.036 . . . . 0.0 112.147 -175.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.404 ' HA ' ' HA ' ' B' ' 93' ' ' CYS . 0.1 OUTLIER 52.54 21.61 1.87 Allowed 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -176.514 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -45.79 127.99 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.185 1.394 . . . . 0.0 111.01 174.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.27 132.56 91.59 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-O 118.854 -0.593 . . . . 0.0 111.805 -173.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -47.94 -24.91 5.65 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 124.805 3.67 . . . . 0.0 118.488 -174.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -51.25 -35.56 37.77 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.913 1.233 . . . . 0.0 112.094 171.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -66.43 -35.16 79.62 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.482 1.513 . . . . 0.0 111.433 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -65.36 -46.62 79.45 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.784 0.834 . . . . 0.0 110.833 175.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -62.71 -43.72 98.07 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 121.726 -0.609 . . . . 0.0 111.798 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 19.8 mt -55.04 -49.72 70.87 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 119.387 -0.34 . . . . 0.0 111.382 172.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.4 HD13 HBB3 ' B' ' 201' ' ' HEC . 0.7 OUTLIER -58.54 -33.88 70.38 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.323 0.649 . . . . 0.0 112.63 179.553 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -68.15 -51.78 31.36 Favored Glycine 0 N--CA 1.467 0.746 0 O-C-N 121.27 -0.893 . . . . 0.0 113.763 169.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -63.74 -33.96 76.81 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.981 -0.717 . . . . 0.0 112.572 -177.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 15.5 m -67.74 -42.19 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 117.799 -1.096 . . . . 0.0 112.375 169.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 41.7 tp -60.09 -48.79 80.24 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 121.147 1.794 . . . . 0.0 111.337 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 33.6 m -59.23 -34.78 54.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.623 0.647 . . . . 0.0 111.909 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 8.1 t -64.34 -41.27 96.86 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.709 0.686 . . . . 0.0 112.802 171.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' VAL . . . . . 0.407 ' HA ' ' CE2' ' A' ' 117' ' ' PHE 0.266 1.5 m -72.21 -38.52 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 O-C-N 120.464 -1.398 . . . . 0.0 113.052 -179.8 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 21.8 mt -55.94 -42.86 76.82 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.389 0.675 . . . . 0.0 110.552 170.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.47 -22.25 64.9 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 115.049 1.499 . . . . 0.0 115.049 176.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -76.63 -63.55 1.32 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 121.371 1.896 . . . . 0.0 111.382 168.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -63.57 -23.26 67.31 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -168.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -125.7 18.89 7.99 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.137 1.375 . . . . 0.0 112.779 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -47.94 -41.01 20.56 Favored Glycine 0 N--CA 1.479 1.536 0 C-N-CA 125.3 1.429 . . . . 0.0 116.304 -172.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -58.98 -16.94 20.5 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 126.112 1.765 . . . . 0.0 114.83 176.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -134.14 13.39 3.9 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.336 2.254 . . . . 0.0 111.947 -177.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -95.58 59.5 2.12 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.651 1.18 . . . . 0.0 112.079 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 54.0 p -54.93 157.06 6.05 Favored Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 125.643 1.577 . . . . 0.0 113.325 -172.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -48.36 -47.05 21.18 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 121.943 1.762 . . . . 0.0 114.883 173.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -59.68 -31.23 93.91 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.091 1.86 . . . . 0.0 114.98 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.37 -40.51 73.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 121.264 1.847 . . . . 0.0 112.852 -178.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 8.6 tm0? -57.82 -51.83 67.96 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.95 -44.23 86.84 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 123.683 0.793 . . . . 0.0 112.718 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -56.51 -54.32 47.15 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.877 1.271 . . . . 0.0 111.558 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -53.15 -50.6 64.23 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.589 0.631 . . . . 0.0 112.126 171.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -36.61 72.8 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 118.421 -0.799 . . . . 0.0 111.781 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -69.87 -38.29 76.36 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.706 1.139 . . . . 0.0 112.847 177.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.77 -47.36 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 CA-C-N 119.574 1.079 . . . . 0.0 110.559 167.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 65.9 t -78.5 -26.33 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 122.842 0.457 . . . . 0.0 112.176 -171.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.85 97.56 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.042 -1.661 . . . . 0.0 110.56 167.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.52 -47.39 90.19 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 124.146 0.879 . . . . 0.0 113.088 169.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 137' ' ' VAL . . . . . 0.522 HG23 ' CE2' ' B' ' 85' ' ' PHE . 0.4 OUTLIER -57.15 -46.03 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 CA-C-N 119.313 1.556 . . . . 0.0 111.837 174.448 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.91 89.91 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.858 0.754 . . . . 0.0 111.311 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.31 -39.22 86.22 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.58 0.752 . . . . 0.0 112.776 172.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.61 -42.41 78.18 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.721 -0.612 . . . . 0.0 112.285 175.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.17 -41.12 98.01 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.443 1.474 . . . . 0.0 111.53 173.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.6 -11.45 11.45 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.709 1.203 . . . . 0.0 114.092 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -53.47 -35.42 60.54 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 121.55 1.977 . . . . 0.0 114.237 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -76.37 -6.95 53.86 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 176.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.74 -21.98 5.47 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.649 1.98 . . . . 0.0 113.783 -176.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 . . . . . 0 C--O 1.256 1.445 0 C-N-CA 129.004 2.922 . . . . 0.0 114.696 -174.163 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.5 2.06 0 CA-C-O 116.314 -1.803 . . . . 0.0 108.351 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 46.3 mt 131.56 -169.95 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 131.256 3.822 . . . . 0.0 111.234 -173.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.34 165.26 23.45 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 127.145 2.178 . . . . 0.0 112.383 -173.326 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -73.72 -40.04 1.63 Allowed 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.299 1.999 . . . . 0.0 111.992 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.39 -34.19 61.07 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 118.771 -0.633 . . . . 0.0 112.264 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' ASP . . . . . 0.437 ' OD2' ' HE3' ' C' ' 127' ' ' LYS . 0.6 OUTLIER -61.09 -44.57 97.16 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.898 1.226 . . . . 0.0 110.713 178.011 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -51.6 -50.87 59.37 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.939 0.895 . . . . 0.0 112.381 173.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 53.4 m -54.84 -44.38 73.87 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.234 0.925 . . . . 0.0 111.533 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -72.43 -33.18 66.91 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.56 -51.23 70.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 119.206 0.912 . . . . 0.0 110.486 169.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.71 -41.62 95.6 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.875 0.87 . . . . 0.0 111.042 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.34 -54.18 49.66 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.382 0.673 . . . . 0.0 111.474 172.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.79 -54.03 47.46 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.576 0.625 . . . . 0.0 111.996 176.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -65.62 -25.03 67.2 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.98 -36.7 93.81 Favored Glycine 0 CA--C 1.535 1.282 0 O-C-N 121.177 -0.952 . . . . 0.0 113.208 169.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -77.08 -32.47 56.76 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 118.095 0.948 . . . . 0.0 111.829 172.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.19 -50.94 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.214 1.006 . . . . 0.0 111.318 173.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.55 -134.65 6.72 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 123.742 0.687 . . . . 0.0 113.798 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.91 -19.42 64.2 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -70.43 -6.54 36.5 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.114 -0.991 . . . . 0.0 113.58 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.54 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -40.05 -56.4 1.87 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.496 1.518 . . . . 0.0 112.986 175.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.95 -33.62 87.73 Favored Glycine 0 N--CA 1.468 0.825 0 O-C-N 121.71 -0.619 . . . . 0.0 114.226 -178.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.31 -47.64 85.01 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.477 1.111 . . . . 0.0 109.628 173.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -67.53 -37.6 82.98 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 122.973 0.509 . . . . 0.0 112.057 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.11 -49.02 82.81 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-N 118.662 0.665 . . . . 0.0 112.669 171.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.96 -49.82 75.9 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.118 0.959 . . . . 0.0 111.214 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -57.47 -37.33 72.71 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 173.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -67.83 -37.27 81.71 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.177 0.899 . . . . 0.0 113.002 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.34 -46.3 89.31 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.192 0.997 . . . . 0.0 111.634 170.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.65 -47.88 83.38 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.741 -0.599 . . . . 0.0 112.006 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 71.6 mtt85 -54.49 -46.11 73.38 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 118.153 -0.927 . . . . 0.0 111.711 173.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 63.8 ttp -57.49 -46.57 83.58 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.954 0.797 . . . . 0.0 112.521 177.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.5 -54.09 50.74 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 118.636 0.653 . . . . 0.0 111.008 172.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.75 -40.65 97.24 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.304 0.641 . . . . 0.0 112.131 -173.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 86.4 p -76.55 -29.78 56.82 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.038 1.335 . . . . 0.0 112.942 -176.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.77 76.3 23.78 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.769 1.628 . . . . 0.0 109.316 -172.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.51 -28.42 16.28 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 124.202 3.268 . . . . 0.0 115.317 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -40.64 -44.18 2.08 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.43 1.892 . . . . 0.0 113.44 165.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 64.8 p -64.01 -26.41 68.56 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -54.82 -31.12 58.88 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.649 1.113 . . . . 0.0 112.908 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 1.1 t -58.83 -31.35 68.4 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 42' ' ' TYR . . . . . 0.425 ' CD1' HG22 ' C' ' 93' ' ' VAL . 29.9 m-85 -80.27 11.79 3.33 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.855 1.262 . . . . 0.0 113.568 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -123.34 63.34 24.31 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 126.625 1.97 . . . . 0.0 110.661 172.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -70.38 -4.61 14.8 Favored 'Trans proline' 0 CA--C 1.547 1.165 0 C-N-CA 123.801 3.0 . . . . 0.0 114.544 -176.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.75 21.99 1.62 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.267 1.827 . . . . 0.0 113.893 -170.096 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -128.94 109.14 10.99 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.758 1.223 . . . . 0.0 110.328 -168.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -73.9 113.48 11.11 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.666 -0.646 . . . . 0.0 111.211 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 21.7 mt -89.08 34.93 0.79 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.975 0.91 . . . . 0.0 112.347 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 19.9 m -53.31 150.98 5.72 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.446 1.498 . . . . 0.0 112.22 174.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -58.25 125.03 21.48 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.217 -0.927 . . . . 0.0 111.064 176.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.71 20.53 78.66 Favored Glycine 0 CA--C 1.54 1.621 0 CA-C-O 118.772 -1.016 . . . . 0.0 115.092 -177.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.55 117.26 2.33 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.047 1.423 . . . . 0.0 114.206 -175.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.38 -35.94 68.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.482 1.113 . . . . 0.0 113.037 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -63.2 -38.31 90.65 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 173.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 96.2 t -70.56 -42.79 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 CA-C-N 119.721 1.146 . . . . 0.0 110.797 176.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -60.86 -47.68 85.25 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.882 0.873 . . . . 0.0 111.483 175.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.95 -57.51 19.33 Favored Glycine 0 C--O 1.223 -0.589 0 C-N-CA 125.244 1.402 . . . . 0.0 111.897 173.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -52.33 -43.68 64.72 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.681 1.24 . . . . 0.0 112.278 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.4 -49.29 39.19 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 123.987 0.803 . . . . 0.0 114.102 170.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -55.85 -44.85 78.42 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.418 1.109 . . . . 0.0 111.916 172.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 61' ' ' LYS . . . . . 0.427 ' HB3' HMA3 ' C' ' 201' ' ' HEC . 50.9 mttt -62.9 -51.98 64.83 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.058 0.845 . . . . 0.0 111.652 178.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 94.9 t -53.18 -47.76 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.041 0.936 . . . . 0.0 110.691 175.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 63' ' ' ALA . . . . . 0.54 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -73.25 -34.5 65.89 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -176.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -65.47 -36.59 84.33 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.12 -0.988 . . . . 0.0 111.612 170.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.18 70.4 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.119 -0.988 . . . . 0.0 112.708 168.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.26 -45.68 90.35 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 120.67 -1.269 . . . . 0.0 111.239 166.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 53.3 m -55.51 -46.05 77.04 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.219 1.372 . . . . 0.0 112.524 169.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -27.73 66.13 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.977 -1.077 . . . . 0.0 112.805 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.67 -56.37 16.27 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 117.35 -1.309 . . . . 0.0 110.469 160.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 92.9 t -48.62 -39.29 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 CA-C-N 121.396 1.907 . . . . 0.0 112.693 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.57 -24.68 66.39 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 175.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -145.45 42.0 1.25 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.005 1.722 . . . . 0.0 112.957 -169.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 7.5 p -87.27 -45.75 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 O-C-N 120.099 -1.625 . . . . 0.0 115.024 -161.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -80.37 -8.3 59.45 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-N 120.719 1.6 . . . . 0.0 111.669 174.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -118.7 1.94 11.64 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.402 -1.436 . . . . 0.0 113.556 -171.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 1.6 mtt -26.16 87.52 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.183 0 C-N-CA 128.304 2.642 . . . . 0.0 115.594 -167.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -90.91 47.31 0.67 Allowed 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.521 2.814 . . . . 0.0 111.607 -165.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . 0.342 0.0 OUTLIER 74.58 16.07 3.24 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 126.921 2.088 . . . . 0.0 114.397 -164.061 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.97 -16.69 60.42 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 116.173 1.916 . . . . 0.0 116.173 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 64.1 mt -101.52 4.22 40.89 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.614 1.097 . . . . 0.0 112.49 170.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 35.9 t -59.45 -36.95 76.9 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.735 -1.228 . . . . 0.0 113.662 -174.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.67 -28.07 63.43 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.156 0.889 . . . . 0.0 112.674 172.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mt -85.13 -43.12 14.13 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.841 1.257 . . . . 0.0 110.385 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -55.64 -38.54 69.66 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.844 -0.598 . . . . 0.0 111.528 169.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -64.62 -48.0 76.5 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.031 1.333 . . . . 0.0 112.66 171.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.29 -45.38 72.5 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.464 1.029 . . . . 0.0 110.334 175.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -69.28 -62.18 1.49 Allowed 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 121.655 -0.653 . . . . 0.0 110.361 178.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.64 -28.36 65.61 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -173.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -109.1 3.89 22.46 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.236 1.014 . . . . 0.0 113.03 -174.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -142.2 -36.04 0.42 Allowed 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -176.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.85 -48.35 0.33 Allowed 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -173.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 33.4 ttt85 52.61 49.8 19.57 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 127.549 2.339 . . . . 0.0 114.974 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 93' ' ' VAL . . . . . 0.425 HG22 ' CD1' ' C' ' 42' ' ' TYR . 6.3 t -59.35 148.42 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 123.49 0.716 . . . . 0.0 112.143 175.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 94' ' ' ASP . . . . . 0.489 ' HB2' HG12 ' C' ' 96' ' ' VAL . 0.0 OUTLIER -64.18 139.61 97.73 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 123.927 0.891 . . . . 0.0 111.591 175.463 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -52.17 -13.04 1.73 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 124.108 3.205 . . . . 0.0 115.547 170.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 96' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' C' ' 94' ' ' ASP . 9.2 p -51.35 -45.5 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 120.722 1.601 . . . . 0.0 111.962 168.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 97' ' ' ASN . . . . . 0.422 ' CB ' HMC1 ' C' ' 201' ' ' HEC . 3.2 m120 -58.97 -38.01 78.11 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.382 -0.824 . . . . 0.0 111.004 174.296 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 98' ' ' PHE . . . . . 0.453 ' CG ' ' HB3' ' C' ' 133' ' ' SER . 12.3 t80 -60.15 -51.25 70.42 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.826 173.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -57.24 -32.26 66.37 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 119.385 0.993 . . . . 0.0 112.152 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 56.9 mt -70.98 -57.36 4.63 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.216 1.006 . . . . 0.0 109.864 175.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 tp -51.2 -44.51 61.61 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.632 1.573 . . . . 0.0 112.729 176.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 88.4 p -66.1 -44.7 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.377 -0.827 . . . . 0.0 112.769 -178.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -38.87 88.88 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.691 -0.63 . . . . 0.0 111.181 170.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 104' ' ' CYS . . . . . 0.428 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 76.3 m -64.28 -38.65 91.79 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.599 -0.688 . . . . 0.0 111.2 179.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 49.2 mt -63.16 -50.37 70.65 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 124.248 1.019 . . . . 0.0 111.551 172.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 10.4 mt -49.07 -47.45 44.98 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.476 1.034 . . . . 0.0 110.754 173.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.31 -48.35 67.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 123.412 0.685 . . . . 0.0 112.515 173.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -38.57 88.04 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.222 1.374 . . . . 0.0 112.384 177.315 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mt -59.29 -44.02 92.53 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.873 0.761 . . . . 0.0 109.904 176.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.76 -35.65 68.88 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.52 -0.737 . . . . 0.0 112.889 175.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.3 -7.05 11.49 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -137.82 -31.04 0.8 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -173.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 9.4 mp -76.2 170.45 15.96 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 124.808 1.243 . . . . 0.0 109.926 168.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -75.08 -128.55 0.01 OUTLIER 'Trans proline' 0 CA--C 1.545 1.038 0 C-N-CA 122.698 2.266 . . . . 0.0 108.908 164.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.47 61.06 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.274 1.43 . . . . 0.0 113.825 172.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -17.32 1.22 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 119.471 -2.018 . . . . 0.0 114.608 175.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 117' ' ' PHE . . . . . 0.402 ' CE2' ' HA ' ' D' ' 113' ' ' VAL . 0.2 OUTLIER -97.17 28.59 3.53 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.176 2.19 . . . . 0.0 112.852 179.404 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.58 170.76 1.24 Allowed Pre-proline 0 N--CA 1.496 1.869 0 O-C-N 119.103 -2.248 . . . . 0.0 111.145 168.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -56.84 -50.78 10.58 Favored 'Trans proline' 0 C--N 1.347 0.477 0 CA-C-N 122.635 1.977 . . . . 0.0 111.644 167.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.45 77.94 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 4.8 t -96.91 -37.97 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 119.6 1.091 . . . . 0.0 112.783 -176.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -69.75 -49.43 53.2 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.49 1.495 . . . . 0.0 111.461 176.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.14 -50.56 73.06 Favored 'General case' 0 C--N 1.345 0.403 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 10.2 t -48.68 -60.95 2.31 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 118.157 -0.925 . . . . 0.0 112.845 174.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 82.0 mt -65.9 -41.44 91.46 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.786 1.175 . . . . 0.0 112.269 -173.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.97 -50.31 72.61 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.473 1.033 . . . . 0.0 111.963 176.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 127' ' ' LYS . . . . . 0.437 ' HE3' ' OD2' ' C' ' 6' ' ' ASP . 0.0 OUTLIER -71.61 -31.32 66.78 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 178.82 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -60.36 -56.81 16.94 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.744 1.217 . . . . 0.0 109.879 171.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.36 -37.61 81.25 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.702 177.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.44 -38.2 74.04 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 120.58 1.536 . . . . 0.0 114.164 170.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 16.3 m -70.89 -37.14 72.99 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.261 -1.524 . . . . 0.0 112.804 170.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 95.2 t -57.41 -49.4 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 117.116 -1.421 . . . . 0.0 109.578 171.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 133' ' ' SER . . . . . 0.453 ' HB3' ' CG ' ' C' ' 98' ' ' PHE . 1.4 p -60.27 -43.81 95.86 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 121.04 1.745 . . . . 0.0 113.329 174.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 43.2 m -50.72 -48.62 58.83 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.922 1.237 . . . . 0.0 110.917 174.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 63.6 t -78.86 -26.4 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -177.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -3.24 30.37 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 120.342 -1.474 . . . . 0.0 113.279 168.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 82.4 m -123.43 -17.69 6.44 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.366 1.466 . . . . 0.0 112.498 -176.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 35.4 p -63.99 136.66 57.51 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.828 -1.17 . . . . 0.0 112.648 173.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -74.21 138.31 43.63 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.927 0.891 . . . . 0.0 110.458 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 54.2 -45.61 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 129.534 3.134 . . . . 0.0 118.251 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 . . . . . 0 C--O 1.25 1.113 0 C-N-CA 126.507 1.923 . . . . 0.0 110.762 173.506 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 1' ' ' VAL . . . . . 0.429 HG11 HD22 ' D' ' 78' ' ' LEU 0.308 1.4 p . . . . . 0 N--CA 1.515 2.79 0 CA-C-O 117.618 -1.182 . . . . 0.0 112.723 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 36.02 67.31 0.31 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 127.033 2.133 . . . . 0.0 114.66 172.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.23 162.39 4.6 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.375 0.67 . . . . 0.0 112.496 -173.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.87 151.22 85.8 Favored Pre-proline 0 N--CA 1.481 1.077 0 CA-C-O 118.545 -0.741 . . . . 0.0 109.582 166.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -52.77 -35.68 70.23 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.729 2.286 . . . . 0.0 114.537 172.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -73.4 -42.54 61.97 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.584 -0.698 . . . . 0.0 112.378 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -63.49 -44.92 92.98 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.431 -0.793 . . . . 0.0 111.541 173.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.78 -51.38 67.62 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.314 1.046 . . . . 0.0 110.665 172.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 40.5 t -51.62 -48.28 63.35 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.582 0.628 . . . . 0.0 111.061 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.26 -56.99 14.88 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 4.0 p -62.86 -49.23 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 120.032 1.287 . . . . 0.0 111.616 -178.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -75.27 -33.28 61.25 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.872 0.76 . . . . 0.0 112.56 -171.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.96 -35.72 78.86 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 120.457 1.48 . . . . 0.0 111.704 172.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -36.37 77.35 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.435 -0.791 . . . . 0.0 111.427 172.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -58.53 -42.81 88.62 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.934 0.894 . . . . 0.0 112.082 167.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.17 -31.71 59.38 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.519 1.533 . . . . 0.0 115.485 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -94.61 -12.55 27.24 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 118.436 1.118 . . . . 0.0 113.503 174.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.34 137.54 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 124.172 0.989 . . . . 0.0 111.889 -168.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -85.11 83.72 7.94 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 175.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 42.5 t -53.69 -33.59 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 O-C-N 120.803 -1.185 . . . . 0.0 113.304 -169.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -38.79 92.25 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.707 1.603 . . . . 0.0 112.772 174.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -107.22 -40.26 5.46 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.329 0.652 . . . . 0.0 111.576 -166.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.24 -33.54 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 119.332 0.969 . . . . 0.0 110.723 162.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.16 -48.01 7.17 Favored Glycine 0 C--N 1.343 0.959 0 O-C-N 121.513 -0.742 . . . . 0.0 111.292 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.02 -43.35 95.09 Favored Glycine 0 C--N 1.338 0.669 0 CA-C-N 117.758 0.779 . . . . 0.0 112.564 171.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 26' ' ' GLU . . . . . 0.566 ' HB2' HH11 ' D' ' 30' ' ' ARG . 4.3 pt-20 -71.76 -43.64 65.41 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-O 116.743 -1.598 . . . . 0.0 112.1 175.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.97 96.14 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 122.588 2.449 . . . . 0.0 112.084 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 31.3 tp -68.17 -45.36 73.68 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.81 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.15 -44.41 93.16 Favored Glycine 0 N--CA 1.466 0.672 0 O-C-N 120.87 -1.143 . . . . 0.0 111.593 171.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 30' ' ' ARG . . . . . 0.566 HH11 ' HB2' ' D' ' 26' ' ' GLU . 0.6 OUTLIER -63.23 -21.8 66.46 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 116.793 -1.575 . . . . 0.0 113.991 177.139 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.64 -55.27 18.4 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 120.882 1.674 . . . . 0.0 110.475 160.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.86 -31.76 72.58 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.494 -0.754 . . . . 0.0 111.993 -172.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 33' ' ' VAL . . . . . 0.518 HG22 ' HA ' ' D' ' 30' ' ' ARG . 12.2 m -68.27 -20.07 25.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 178.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 t -63.36 -4.1 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 CA-C-N 120.761 1.618 . . . . 0.0 112.095 176.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 45.57 45.4 2.31 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 126.187 1.795 . . . . 0.0 111.729 -161.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -76.17 167.5 25.8 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 N-CA-C 109.192 -1.119 . . . . 0.0 109.192 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -51.83 -23.06 4.25 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 168.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 3.2 p -57.56 -23.64 51.74 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 120.723 -1.236 . . . . 0.0 112.538 171.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -55.54 -19.23 9.28 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.796 1.238 . . . . 0.0 113.348 174.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 40' ' ' ARG . . . . . 0.417 ' HD3' ' CD2' ' D' ' 41' ' ' PHE . 0.0 OUTLIER -51.18 -39.99 57.64 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 121.268 1.849 . . . . 0.0 112.742 167.53 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 41' ' ' PHE . . . . . 0.417 ' CD2' ' HD3' ' D' ' 40' ' ' ARG . 67.3 m-85 -88.95 6.56 38.9 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.436 1.095 . . . . 0.0 113.472 -178.345 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.14 -27.04 5.16 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 176.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -50.61 -18.17 0.64 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.618 2.767 . . . . 0.0 116.367 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 30.7 p -109.24 -3.03 17.53 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.756 1.623 . . . . 0.0 114.161 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 45' ' ' PHE . . . . . 0.484 ' HZ ' HBC3 ' D' ' 201' ' ' HEC . 29.6 m-85 -96.76 -17.17 20.45 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -171.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.16 150.78 0.57 Allowed Glycine 0 CA--C 1.537 1.429 0 CA-C-N 119.329 0.968 . . . . 0.0 114.611 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 12.7 t0 37.51 -82.62 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 128.963 2.905 . . . . 0.0 115.834 -173.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 42.81 -12.25 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.251 1 C-N-CA 132.513 4.325 . . . . 0.0 121.588 176.398 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 21.9 t -57.99 -17.29 16.34 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.21 1.804 . . . . 0.0 114.635 -171.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 50' ' ' THR . . . . . 0.4 ' HB ' ' HD2' ' D' ' 51' ' ' PRO . 2.1 p -136.86 166.25 28.78 Favored Pre-proline 0 N--CA 1.471 0.611 0 C-N-CA 126.742 2.017 . . . . 0.0 109.82 -176.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 51' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' D' ' 50' ' ' THR . 9.8 Cg_endo -59.51 -53.53 3.32 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 121.693 1.596 . . . . 0.0 112.37 174.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.49 -35.91 72.95 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.135 0.974 . . . . 0.0 111.769 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.78 -60.04 4.25 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.296 0.638 . . . . 0.0 111.635 170.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 1.5 p -65.43 -35.27 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 120.552 -1.342 . . . . 0.0 113.53 -171.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 5.9 mtt -77.13 -30.61 55.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.555 0.742 . . . . 0.0 112.867 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.61 -24.13 24.35 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.928 0.775 . . . . 0.0 114.277 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -62.16 125.86 86.38 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 124.647 1.179 . . . . 0.0 112.769 -174.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.12 -38.27 37.46 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.16 2.574 . . . . 0.0 113.891 -170.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -61.55 -40.23 93.97 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.216 -0.927 . . . . 0.0 112.394 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 99.5 t -63.36 -38.05 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.658 0.783 . . . . 0.0 110.912 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -67.94 -47.79 67.71 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 120.14 1.336 . . . . 0.0 111.901 175.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.71 76.52 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.032 0.933 . . . . 0.0 113.326 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -36.58 80.61 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.796 -1.19 . . . . 0.0 111.055 171.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.06 -48.01 64.64 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 126.179 1.847 . . . . 0.0 113.167 169.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -60.66 -34.44 74.31 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 118.461 -0.78 . . . . 0.0 112.638 171.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -68.99 -50.32 50.01 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.375 0.989 . . . . 0.0 113.079 176.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -52.61 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 120.112 1.324 . . . . 0.0 111.118 174.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 tt -72.5 -32.31 66.07 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -177.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.59 -35.89 75.45 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.082 1.325 . . . . 0.0 112.82 170.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.53 -47.21 86.6 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.708 1.254 . . . . 0.0 111.173 166.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 71' ' ' PHE . . . . . 0.429 ' CE1' HG11 ' D' ' 137' ' ' VAL . 2.0 m-30 -58.98 -34.73 72.16 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 120.459 -1.401 . . . . 0.0 111.645 177.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.77 -44.36 77.66 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.527 1.131 . . . . 0.0 113.593 171.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -34.0 68.4 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.682 0.793 . . . . 0.0 111.456 170.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.25 -63.93 4.6 Favored Glycine 0 C--N 1.338 0.684 0 CA-C-O 118.976 -0.902 . . . . 0.0 111.671 167.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 5.8 mt -51.78 -31.72 28.13 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.018 1.409 . . . . 0.0 114.085 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.22 -25.69 51.92 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.773 1.629 . . . . 0.0 115.13 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -145.94 44.81 1.26 Allowed 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.798 1.639 . . . . 0.0 112.632 -170.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 78' ' ' LEU . . . . . 0.45 HD23 HD21 ' D' ' 81' ' ' LEU . 32.4 mt -57.43 -18.08 16.32 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -178.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -50.47 -40.01 49.64 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.517 1.527 . . . . 0.0 113.791 170.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.0 96.15 2.29 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.032 0.933 . . . . 0.0 112.053 -175.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 81' ' ' LEU . . . . . 0.45 HD21 HD23 ' D' ' 78' ' ' LEU . 28.8 mt -81.27 -45.75 15.79 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -57.0 -23.82 49.03 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 173.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.46 -7.82 64.76 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.504 1.526 . . . . 0.0 115.023 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.65 -19.16 12.59 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 118.937 1.368 . . . . 0.0 112.81 175.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 85' ' ' PHE . . . . . 0.534 ' CE2' HG23 ' D' ' 137' ' ' VAL . 18.6 m-85 -108.44 5.36 25.25 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 177.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.05 -39.45 56.01 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 121.092 1.769 . . . . 0.0 114.97 -173.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 10.1 p -64.69 -35.97 82.77 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.389 1.076 . . . . 0.0 112.981 172.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.88 -41.67 71.03 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 124.533 1.133 . . . . 0.0 110.601 172.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -57.18 -42.23 80.8 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.711 1.141 . . . . 0.0 110.947 172.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -65.91 -44.72 84.39 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.285 -0.884 . . . . 0.0 112.635 172.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 51.3 tp -62.3 -50.76 70.4 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 120.584 -1.322 . . . . 0.0 112.08 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 56.4 m80 -78.99 -8.4 58.88 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -176.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 93' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' D' ' 97' ' ' HIS . 11.3 t -119.45 -66.04 1.11 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.835 0.743 . . . . 0.0 112.744 176.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.3 -36.08 82.93 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.544 -1.348 . . . . 0.0 114.064 -177.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -94.39 -69.23 0.76 Allowed 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 65.2 mt -77.84 -32.92 52.39 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.335 1.054 . . . . 0.0 112.171 -175.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 97' ' ' HIS . . . . . 0.417 ' HA ' ' HA ' ' D' ' 93' ' ' CYS . 0.1 OUTLIER 52.31 21.57 1.73 Allowed 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -176.416 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -45.8 127.9 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.94 1.296 . . . . 0.0 111.137 174.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -68.22 132.58 91.66 Favored Pre-proline 0 CA--C 1.548 0.892 0 CA-C-O 118.705 -0.664 . . . . 0.0 111.918 -173.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -48.11 -24.71 5.84 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 124.951 3.767 . . . . 0.0 118.42 -174.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -51.36 -35.52 38.88 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.934 1.243 . . . . 0.0 112.11 171.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -66.6 -35.23 79.68 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.471 1.508 . . . . 0.0 111.277 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -65.29 -46.55 79.96 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.708 0.803 . . . . 0.0 110.814 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 41.0 mtt85 -62.79 -43.69 98.14 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.715 -0.615 . . . . 0.0 111.75 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 19.5 mt -55.1 -49.77 70.88 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.242 172.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 106' ' ' LEU . . . . . 0.4 HD13 HBB3 ' D' ' 201' ' ' HEC . 0.7 OUTLIER -58.4 -34.0 70.26 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.378 0.671 . . . . 0.0 112.641 179.499 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 107' ' ' GLY . . . . . 0.405 ' HA3' HG11 ' D' ' 134' ' ' VAL . . . -68.2 -51.55 32.4 Favored Glycine 0 N--CA 1.466 0.686 0 O-C-N 121.309 -0.869 . . . . 0.0 113.864 169.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -63.88 -33.7 76.3 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 122.069 -0.666 . . . . 0.0 112.661 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 15.8 m -68.03 -42.03 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 117.776 -1.107 . . . . 0.0 112.481 169.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 42.2 tp -59.91 -49.13 78.88 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 121.214 1.825 . . . . 0.0 111.329 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 33.6 m -59.01 -34.86 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 118.629 0.649 . . . . 0.0 111.917 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 8.0 t -64.41 -41.06 96.84 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.648 0.658 . . . . 0.0 112.762 171.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 113' ' ' VAL . . . . . 0.402 ' HA ' ' CE2' ' C' ' 117' ' ' PHE 0.265 1.5 m -72.46 -38.36 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 120.271 1.396 . . . . 0.0 112.977 -179.608 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 21.6 mt -56.0 -42.91 77.13 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.386 0.674 . . . . 0.0 110.576 170.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.31 -22.43 64.88 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -76.52 -63.68 1.28 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 121.406 1.912 . . . . 0.0 111.359 168.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -63.31 -23.42 67.41 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.951 0.722 . . . . 0.0 112.951 -168.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -125.71 18.79 7.98 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.117 1.367 . . . . 0.0 112.76 -175.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -47.91 -40.83 20.09 Favored Glycine 0 N--CA 1.48 1.592 0 C-N-CA 125.326 1.441 . . . . 0.0 116.378 -172.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -59.19 -16.88 22.99 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 126.0 1.72 . . . . 0.0 114.834 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -134.17 13.35 3.89 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.371 2.268 . . . . 0.0 111.929 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -95.43 59.42 2.16 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.688 1.195 . . . . 0.0 112.163 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 52.6 p -54.93 157.02 6.1 Favored Pre-proline 0 N--CA 1.478 0.966 0 C-N-CA 125.653 1.581 . . . . 0.0 113.393 -172.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -48.35 -46.95 21.47 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 121.882 1.721 . . . . 0.0 114.903 173.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -59.72 -31.24 93.85 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 122.07 1.847 . . . . 0.0 114.863 172.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.36 -40.54 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 121.212 1.824 . . . . 0.0 112.779 -178.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -58.01 -51.62 68.89 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.98 87.89 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.531 0.733 . . . . 0.0 112.668 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -56.65 -54.24 48.43 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.96 1.304 . . . . 0.0 111.57 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -53.17 -50.67 64.13 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.699 0.681 . . . . 0.0 112.154 170.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -36.52 72.89 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.797 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -69.77 -38.26 76.66 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.714 1.143 . . . . 0.0 112.924 176.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 22.4 t -59.81 -47.34 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-N 119.664 1.12 . . . . 0.0 110.493 167.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 134' ' ' VAL . . . . . 0.405 HG11 ' HA3' ' D' ' 107' ' ' GLY . 65.2 t -78.67 -26.21 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 121.943 -0.473 . . . . 0.0 112.08 -171.238 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.81 97.5 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 120.143 -1.598 . . . . 0.0 110.596 167.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.7 -47.39 90.51 Favored Glycine 0 CA--C 1.532 1.099 0 CA-C-O 118.98 -0.9 . . . . 0.0 112.956 169.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 137' ' ' VAL . . . . . 0.534 HG23 ' CE2' ' D' ' 85' ' ' PHE . 0.4 OUTLIER -57.08 -45.94 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 119.232 1.516 . . . . 0.0 111.867 174.659 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.44 -43.67 89.71 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 118.707 0.685 . . . . 0.0 111.413 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.3 -39.3 86.48 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.7 0.8 . . . . 0.0 112.754 172.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.55 -42.49 78.32 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.74 -0.6 . . . . 0.0 112.44 175.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 7.0 mt -62.0 -41.24 97.84 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.311 1.414 . . . . 0.0 111.549 172.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.49 -11.51 11.12 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.691 1.196 . . . . 0.0 114.117 171.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -53.6 -35.37 60.79 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 121.403 1.91 . . . . 0.0 114.153 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -76.34 -7.08 54.21 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.83 -21.81 5.47 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 126.546 1.939 . . . . 0.0 113.664 -176.177 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 . . . . . 0 C--O 1.256 1.43 0 C-N-CA 129.042 2.937 . . . . 0.0 114.778 -174.115 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.555 HMB1 HBB2 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 201' ' ' HEC . . . . . 0.476 HBC3 ' HZ ' ' B' ' 45' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 201' ' ' HEC . . . . . 0.545 HMB1 HBB2 ' C' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 201' ' ' HEC . . . . . 0.484 HBC3 ' HZ ' ' D' ' 45' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.277 9.2 p . . . . . 0 N--CA 1.511 2.616 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 47.4 mt -111.02 176.03 5.18 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 120.443 1.474 . . . . 0.0 111.926 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -94.24 163.49 23.12 Favored Pre-proline 0 N--CA 1.479 0.977 0 C-N-CA 125.366 1.466 . . . . 0.0 110.708 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -74.89 -43.0 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 121.943 1.762 . . . . 0.0 113.02 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.11 -45.83 72.61 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.763 -0.586 . . . . 0.0 111.972 -175.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -66.21 -32.96 74.7 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 118.449 -0.786 . . . . 0.0 111.668 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -52.93 -53.09 54.59 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.375 0.989 . . . . 0.0 111.633 170.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.3 m -58.09 -40.6 81.53 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.603 0.761 . . . . 0.0 111.332 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -68.15 -34.55 76.54 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 177.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.77 -50.37 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.411 1.005 . . . . 0.0 110.435 167.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -56.61 -47.12 80.32 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 118.973 0.806 . . . . 0.0 111.615 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.55 -48.11 81.97 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.245 1.018 . . . . 0.0 112.064 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.1 -51.99 61.37 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 175.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 17.6 t-105 -64.9 -25.91 68.09 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.137 -0.977 . . . . 0.0 113.29 -177.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.36 -42.21 93.54 Favored Glycine 0 CA--C 1.538 1.518 0 O-C-N 121.175 -0.953 . . . . 0.0 113.21 166.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -69.16 -31.52 70.23 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.121 0.96 . . . . 0.0 112.223 174.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 21' ' ' ALA . 86.0 t -68.93 -14.19 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 125.556 1.542 . . . . 0.0 113.397 176.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.52 134.95 4.13 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 124.907 1.241 . . . . 0.0 114.816 176.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 59.62 -32.16 0.05 Allowed 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 128.665 2.786 . . . . 0.0 116.961 -171.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -78.66 -11.08 59.96 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.757 1.223 . . . . 0.0 114.013 173.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -49.84 -48.87 50.79 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.798 1.239 . . . . 0.0 113.504 -175.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.19 -38.16 91.79 Favored Glycine 0 N--CA 1.472 1.044 0 O-C-N 121.785 -0.572 . . . . 0.0 113.901 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -58.82 -45.61 89.57 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.528 1.131 . . . . 0.0 111.202 171.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -64.99 -39.08 92.93 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.361 -0.837 . . . . 0.0 112.682 174.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.63 -47.61 90.08 Favored Glycine 0 CA--C 1.534 1.242 0 CA-C-N 119.049 0.841 . . . . 0.0 112.716 172.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.61 -47.24 87.09 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.87 0.868 . . . . 0.0 111.615 176.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -59.07 -40.45 85.25 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 121.51 -0.744 . . . . 0.0 112.846 171.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.24 93.69 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.596 1.089 . . . . 0.0 112.136 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.9 mt -63.06 -50.49 70.41 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.256 1.023 . . . . 0.0 111.697 172.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.55 -49.02 79.22 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.53 0.732 . . . . 0.0 112.644 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.8 ttm105 -60.39 -41.16 93.26 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.949 1.3 . . . . 0.0 111.287 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 39.2 ttp -60.2 -49.14 78.79 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.351 0.978 . . . . 0.0 112.917 170.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.78 -38.96 76.36 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.974 -0.454 . . . . 0.0 112.144 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.7 mt -75.5 -41.56 54.97 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.715 0.806 . . . . 0.0 112.683 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.0 p -75.14 -22.72 57.96 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -174.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -139.41 73.39 36.43 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.899 1.28 . . . . 0.0 109.914 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -48.9 -27.72 12.01 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 124.84 3.693 . . . . 0.0 115.441 -174.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -35.48 -45.88 0.36 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 128.038 2.535 . . . . 0.0 113.445 166.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.3 p -60.05 -27.37 66.88 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.477 1.511 . . . . 0.0 114.866 -177.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -60.22 -24.51 64.89 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.315 0.962 . . . . 0.0 113.239 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -57.62 -28.18 63.44 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -65.56 -21.88 66.64 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.454 -0.779 . . . . 0.0 112.981 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 t80 33.26 57.09 1.53 Allowed Pre-proline 0 CA--C 1.558 1.262 0 C-N-CA 127.938 2.495 . . . . 0.0 114.147 175.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -81.04 51.56 3.99 Favored 'Trans proline' 0 CA--C 1.549 1.229 0 C-N-CA 124.797 3.664 . . . . 0.0 113.718 -157.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.265 31.2 p80 46.38 31.56 1.31 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 127.107 2.163 . . . . 0.0 114.729 -169.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -90.55 152.39 20.93 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.671 1.188 . . . . 0.0 111.04 168.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -121.08 109.44 15.04 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.149 1.38 . . . . 0.0 108.63 168.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.6 mt -76.96 31.27 0.13 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.1 1.36 . . . . 0.0 112.975 -176.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.8 t -62.38 152.9 32.79 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.302 1.441 . . . . 0.0 112.015 177.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -56.57 116.48 3.14 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.736 0.814 . . . . 0.0 111.421 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.69 12.74 79.53 Favored Glycine 0 CA--C 1.539 1.559 0 CA-C-O 118.83 -0.983 . . . . 0.0 115.397 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.4 t -51.61 116.45 2.11 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.113 1.456 . . . . 0.0 114.071 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.44 -27.04 68.27 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.11 -45.09 87.83 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.934 0.788 . . . . 0.0 111.833 174.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.81 -42.45 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.668 0.787 . . . . 0.0 111.254 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.73 -47.88 81.66 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.178 0.591 . . . . 0.0 111.743 175.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.86 -50.88 59.95 Favored Glycine 0 N--CA 1.468 0.768 0 C-N-CA 124.764 1.173 . . . . 0.0 112.409 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -59.39 -39.49 83.54 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.445 1.122 . . . . 0.0 112.054 174.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.33 -51.81 48.65 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 121.293 -0.879 . . . . 0.0 113.306 168.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -57.3 -41.76 80.46 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.401 1.08 . . . . 0.0 113.013 172.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -63.0 -51.94 64.9 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.948 1.249 . . . . 0.0 112.469 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 77.0 t -56.02 -44.58 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-N 119.361 0.982 . . . . 0.0 110.923 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -64.59 -46.14 83.98 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 177.067 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.88 -36.05 83.09 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.163 -0.961 . . . . 0.0 111.875 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.464 ' HB2' HMA1 ' A' ' 201' ' ' HEC . . . -63.17 -37.92 89.11 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 169.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.97 -42.56 97.22 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 118.958 0.799 . . . . 0.0 112.069 168.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 57.1 m -58.68 -45.59 89.1 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.515 1.507 . . . . 0.0 111.788 172.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -57.96 -42.35 84.8 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.771 1.228 . . . . 0.0 112.497 172.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.93 -53.73 55.08 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.612 0.642 . . . . 0.0 111.328 171.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.9 t -56.7 -39.98 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.174 0.99 . . . . 0.0 111.993 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.06 -18.45 65.35 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -138.93 25.07 2.55 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.053 1.341 . . . . 0.0 112.313 -173.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.3 p -63.15 -23.42 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 -151.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.75 -4.38 57.7 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 174.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -124.02 2.32 8.65 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.769 2.428 . . . . 0.0 112.544 176.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.1 ptt? -54.67 -22.94 0.82 Allowed Pre-proline 0 CA--C 1.542 0.658 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 175.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -46.52 -23.38 2.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 123.236 2.624 . . . . 0.0 116.276 163.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -103.41 -42.43 5.71 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.611 1.096 . . . . 0.0 112.48 167.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.54 -11.05 21.23 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 88.1 mt -109.35 7.77 25.23 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.042 1.337 . . . . 0.0 113.537 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 94.9 p -56.03 -33.61 65.09 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -175.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.79 -17.54 49.95 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 174.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.2 mt -106.13 -39.44 5.96 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.233 1.013 . . . . 0.0 111.357 -169.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.8 p -55.82 -43.61 77.12 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.936 -0.554 . . . . 0.0 110.283 157.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -56.98 -52.77 63.93 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 171.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.1 pp -60.94 -37.29 81.82 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.987 1.267 . . . . 0.0 112.832 -175.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -72.37 -47.33 50.27 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.592 1.087 . . . . 0.0 111.264 173.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.2 70.43 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -116.02 12.3 15.61 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -173.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -145.17 -28.71 0.46 Allowed 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 116.747 2.129 . . . . 0.0 116.747 176.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 70.0 mt -139.49 -25.88 0.83 Allowed 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 117.061 2.245 . . . . 0.0 117.061 -166.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 27.71 42.78 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 130.392 3.477 . . . . 0.0 117.431 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 76.4 t -69.56 138.89 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 O-C-N 120.948 -1.095 . . . . 0.0 110.522 173.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.85 161.26 78.81 Favored Pre-proline 0 CA--C 1.556 1.208 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.34 -14.67 4.71 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 124.514 3.476 . . . . 0.0 118.761 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.2 p -55.45 -38.5 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 122.079 2.218 . . . . 0.0 112.415 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -65.34 -29.97 70.77 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.418 ' CD1' ' HB3' ' A' ' 133' ' ' SER . 0.0 OUTLIER -59.42 -57.51 12.65 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.828 1.195 . . . . 0.0 109.126 168.525 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -54.2 -48.92 70.46 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.139 0.576 . . . . 0.0 109.971 -172.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 56.9 mt -56.95 -61.11 2.67 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.36 1.064 . . . . 0.0 111.81 175.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.423 HD11 HBB3 ' A' ' 201' ' ' HEC . 0.2 OUTLIER -63.31 -35.68 81.18 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.602 1.092 . . . . 0.0 111.625 -174.159 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.1 m -65.39 -44.16 88.38 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.818 1.19 . . . . 0.0 113.165 174.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -57.78 -46.8 84.06 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.252 -0.905 . . . . 0.0 110.564 170.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 99.3 m -63.68 -33.77 76.37 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 178.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.3 mt -64.88 -54.17 35.13 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 124.589 1.156 . . . . 0.0 111.067 171.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.4 mt -51.66 -44.02 62.89 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.602 0.761 . . . . 0.0 110.781 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.9 t -53.94 -48.09 63.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.53 1.132 . . . . 0.0 112.639 171.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -40.14 95.6 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.557 1.526 . . . . 0.0 113.457 171.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.8 mt -63.99 -43.98 94.03 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.098 0.863 . . . . 0.0 110.073 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.16 -34.79 46.49 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.175 0.99 . . . . 0.0 113.519 171.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.19 -9.84 59.67 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 -174.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -132.98 -31.13 1.31 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -175.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -72.46 171.47 9.77 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 118.855 0.752 . . . . 0.0 109.808 166.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.43 -158.47 0.01 OUTLIER 'Trans proline' 0 CA--C 1.546 1.091 0 C-N-CA 124.153 3.235 . . . . 0.0 113.241 156.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.7 52.57 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.02 1.728 . . . . 0.0 114.511 173.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -6.29 0.11 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.762 2.425 . . . . 0.0 115.643 -178.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -79.77 14.5 1.7 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.565 1.546 . . . . 0.0 113.871 168.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.5 p -54.16 155.87 6.18 Favored Pre-proline 0 N--CA 1.472 0.664 0 CA-C-N 119.383 0.992 . . . . 0.0 111.189 174.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -52.37 -31.56 47.98 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.478 2.119 . . . . 0.0 115.055 168.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.27 -33.33 65.19 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 175.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.1 t -110.7 -29.03 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 O-C-N 121.081 -1.012 . . . . 0.0 112.746 -166.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.37 -53.09 21.2 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 120.501 -1.374 . . . . 0.0 112.603 177.111 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.88 91.2 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 118.587 0.63 . . . . 0.0 110.539 172.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.6 t -49.2 -61.59 2.0 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.937 0.895 . . . . 0.0 111.943 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.05 -40.69 87.16 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.752 0.705 . . . . 0.0 112.717 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.66 -52.96 54.58 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.644 1.111 . . . . 0.0 111.984 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER -69.29 -25.42 64.24 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.319 0.648 . . . . 0.0 112.006 178.499 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -64.75 -54.87 24.67 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.912 1.233 . . . . 0.0 112.222 165.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.95 -37.47 82.48 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.894 1.224 . . . . 0.0 112.324 177.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.39 90.94 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 170.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.8 t -63.54 -42.01 98.42 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 120.384 -1.447 . . . . 0.0 112.318 170.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 66.8 t -58.73 -48.98 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 O-C-N 120.984 -1.073 . . . . 0.0 111.183 174.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.418 ' HB3' ' CD1' ' A' ' 98' ' ' PHE . 84.3 p -69.06 -40.62 78.41 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.338 0.972 . . . . 0.0 113.108 177.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.9 m -47.77 -51.15 23.42 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.001 1.32 . . . . 0.0 110.339 167.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 26.8 t -62.78 -44.76 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 O-C-N 121.438 -0.789 . . . . 0.0 111.586 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -13.64 23.79 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 176.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 2.5 t -115.59 -5.01 12.19 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.928 1.291 . . . . 0.0 113.051 175.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 68.7 m -66.58 178.0 1.41 Allowed 'General case' 0 CA--C 1.547 0.865 0 O-C-N 120.662 -1.274 . . . . 0.0 110.971 149.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm 57.79 23.49 9.68 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.268 1.427 . . . . 0.0 114.494 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -63.86 138.88 58.67 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.581 -0.699 . . . . 0.0 111.037 169.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.254 1.301 0 C-N-CA 129.665 3.186 . . . . 0.0 116.433 -171.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.339 2.6 p . . . . . 0 N--CA 1.513 2.709 0 CA-C-O 116.83 -1.557 . . . . 0.0 112.713 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 7.7 p80 24.7 71.51 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 127.581 2.352 . . . . 0.0 115.969 176.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.24 156.3 15.74 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.706 0.802 . . . . 0.0 111.64 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.6 p -68.12 160.88 72.46 Favored Pre-proline 0 N--CA 1.479 1.014 0 O-C-N 121.724 -0.61 . . . . 0.0 110.542 163.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.52 -40.24 84.54 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 122.571 2.181 . . . . 0.0 113.673 172.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.66 -40.76 72.81 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.273 0.629 . . . . 0.0 112.196 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -60.66 -51.3 69.98 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.675 -0.64 . . . . 0.0 111.01 172.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -57.34 -44.37 84.21 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 118.055 -0.974 . . . . 0.0 111.604 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.5 t -55.85 -49.97 71.87 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.651 0.659 . . . . 0.0 111.078 175.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.0 -51.11 71.48 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.446 HG23 ' CE1' ' B' ' 130' ' ' TYR . 2.8 p -66.37 -50.4 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 119.47 1.032 . . . . 0.0 112.108 177.269 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 27.1 m -67.92 -37.99 82.36 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 121.418 -0.801 . . . . 0.0 111.426 -170.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.71 94.24 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.255 0.934 . . . . 0.0 112.582 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.25 -40.68 77.73 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.695 -0.628 . . . . 0.0 111.055 175.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -37.38 72.32 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.794 -1.191 . . . . 0.0 112.924 168.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.53 -30.04 70.92 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.797 1.189 . . . . 0.0 114.994 175.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -100.51 -10.54 20.96 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 176.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.47 141.16 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 124.213 1.005 . . . . 0.0 112.424 -176.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -88.87 79.41 7.37 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.049 0.94 . . . . 0.0 109.772 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 89.1 t -48.1 -45.13 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 125.129 1.372 . . . . 0.0 114.616 -166.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.45 -54.62 43.38 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.903 0.881 . . . . 0.0 112.349 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -68.6 -54.91 13.57 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.521 0.728 . . . . 0.0 111.311 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.02 -33.42 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 O-C-N 121.514 -0.741 . . . . 0.0 112.696 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.0 -43.04 50.28 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.566 -0.574 . . . . 0.0 111.811 175.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.78 -45.83 94.91 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-N 118.05 0.925 . . . . 0.0 112.465 173.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -44.9 91.68 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 117.936 0.868 . . . . 0.0 111.028 172.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.22 -51.01 70.75 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 120.144 1.338 . . . . 0.0 112.709 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 tp -68.43 -35.72 78.03 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.569 -0.707 . . . . 0.0 111.825 -178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.25 -54.69 32.63 Favored Glycine 0 C--N 1.338 0.668 0 CA-C-N 119.391 0.996 . . . . 0.0 111.493 170.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.552 ' CD ' HG22 ' B' ' 113' ' ' VAL . 5.0 mtt-85 -45.42 -41.39 9.22 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 125.167 1.387 . . . . 0.0 113.648 175.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 31.7 tp -49.17 -52.76 24.61 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 124.022 0.826 . . . . 0.0 110.797 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.433 HD22 ' H ' ' B' ' 32' ' ' LEU . 0.6 OUTLIER -72.55 -32.73 66.3 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.278 179.824 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' B' ' 30' ' ' ARG . 0.8 OUTLIER -69.05 -9.1 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 178.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.44 -7.6 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-N 119.613 1.097 . . . . 0.0 112.997 166.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 10.3 t80 51.44 49.75 7.57 Favored Pre-proline 0 CA--C 1.561 1.379 0 O-C-N 120.466 -1.396 . . . . 0.0 113.915 -165.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -84.64 164.88 12.21 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.85 2.367 . . . . 0.0 113.182 -177.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -58.4 -30.24 66.69 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 165.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 64.6 p -56.6 -27.34 57.92 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 120.99 -1.069 . . . . 0.0 113.25 176.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -7.22 20.35 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 178.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -54.15 -24.74 19.12 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 121.463 1.938 . . . . 0.0 114.564 175.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -93.68 4.46 53.9 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 176.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.08 -18.84 1.59 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.83 -30.3 63.63 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.584 1.154 . . . . 0.0 113.629 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 80.8 p -79.69 -12.55 59.8 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -82.95 -15.4 51.44 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 120.992 -1.068 . . . . 0.0 111.873 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.82 25.63 74.11 Favored Glycine 0 N--CA 1.477 1.37 0 C-N-CA 125.397 1.475 . . . . 0.0 116.385 161.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -155.16 -119.33 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.247 1.019 . . . . 0.0 110.91 -164.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . 0.271 0.0 OUTLIER 51.64 3.52 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 130.513 3.525 . . . . 0.0 118.893 166.793 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 59.4 p -64.14 -17.92 63.93 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.345 1.458 . . . . 0.0 114.235 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 23.6 p -138.66 157.35 72.18 Favored Pre-proline 0 N--CA 1.473 0.698 0 C-N-CA 125.173 1.389 . . . . 0.0 111.437 172.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -63.94 -37.57 43.11 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.951 2.434 . . . . 0.0 113.989 177.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -71.33 -26.79 62.98 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.66 -51.57 26.88 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.622 0.769 . . . . 0.0 112.355 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -60.01 -35.6 62.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -171.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 27.3 ttm -83.72 -6.43 59.43 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.98 -20.67 5.19 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 125.14 1.352 . . . . 0.0 114.802 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -51.5 119.34 12.87 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 126.235 1.814 . . . . 0.0 113.067 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -47.09 -40.0 26.21 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 124.307 3.338 . . . . 0.0 115.308 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.88 -38.46 86.35 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.653 1.115 . . . . 0.0 112.556 178.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 85.1 t -69.53 -37.72 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 118.915 0.779 . . . . 0.0 111.253 173.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -61.46 -49.29 77.38 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.395 0.998 . . . . 0.0 112.024 171.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.42 -52.13 62.87 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.663 1.185 . . . . 0.0 112.717 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -34.03 72.27 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 120.89 -1.131 . . . . 0.0 111.324 173.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.12 -47.13 91.18 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.716 1.627 . . . . 0.0 113.957 169.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -57.76 -46.2 84.87 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 118.341 1.07 . . . . 0.0 111.003 169.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.72 -52.58 64.85 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.582 0.753 . . . . 0.0 112.619 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 p -58.31 -45.47 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-N 119.558 1.072 . . . . 0.0 112.019 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 tt -63.76 -40.21 96.14 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.78 -0.575 . . . . 0.0 111.681 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.01 -34.6 72.98 Favored Glycine 0 N--CA 1.473 1.101 0 C-N-CA 125.556 1.55 . . . . 0.0 114.926 177.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.17 -44.67 83.39 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.086 -1.244 . . . . 0.0 111.709 167.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.504 ' CE2' HD23 ' B' ' 110' ' ' LEU . 1.8 m-85 -62.91 -41.49 99.47 Favored 'General case' 0 CA--C 1.553 1.06 0 O-C-N 120.677 -1.265 . . . . 0.0 111.759 178.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.0 p -68.77 -39.04 80.42 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.761 -1.212 . . . . 0.0 113.12 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -58.4 -39.91 80.99 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 119.319 0.963 . . . . 0.0 111.868 169.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.85 -52.39 52.45 Favored Glycine 0 N--CA 1.467 0.744 0 C-N-CA 124.035 0.826 . . . . 0.0 112.132 174.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 32.0 mt -59.31 -8.97 1.92 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -111.74 -6.47 14.31 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.07 1.748 . . . . 0.0 114.262 176.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -138.43 30.02 2.4 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.891 1.677 . . . . 0.0 112.984 -177.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 76.4 mt -56.58 -20.69 22.15 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 -177.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -58.86 -40.75 85.24 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.126 0.97 . . . . 0.0 113.094 175.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -149.02 35.45 0.75 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.807 1.243 . . . . 0.0 113.286 -173.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -48.41 -28.05 3.01 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -54.12 -31.84 53.39 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.698 1.599 . . . . 0.0 113.523 176.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -89.12 -37.15 7.29 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.136 0.874 . . . . 0.0 113.855 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.95 -23.39 67.38 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 118.59 1.195 . . . . 0.0 113.955 -175.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -102.49 4.56 38.78 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -178.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.53 -35.1 52.66 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 120.784 1.629 . . . . 0.0 115.168 -170.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 24.7 p -66.66 -38.04 86.03 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.618 1.167 . . . . 0.0 112.947 173.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 30.0 mt -68.33 -41.46 80.75 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.778 0.831 . . . . 0.0 110.875 171.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -60.1 -38.39 82.82 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.011 0.823 . . . . 0.0 111.786 175.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.83 -49.3 75.46 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.616 -0.677 . . . . 0.0 112.199 171.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 45.8 tp -55.26 -51.18 67.46 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.099 -1.001 . . . . 0.0 111.57 174.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -76.07 -11.26 59.91 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -175.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 49.3 t -107.95 -80.87 0.57 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.326 1.05 . . . . 0.0 110.647 171.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -56.99 -20.69 25.36 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -172.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -116.33 -5.26 11.8 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 176.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 96.1 mt -144.07 -37.07 0.33 Allowed 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 -174.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 40.54 25.77 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.265 2.626 . . . . 0.0 116.129 -172.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 3.7 m -58.44 132.06 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.225 1.01 . . . . 0.0 111.93 -176.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.74 146.59 94.46 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 125.212 1.405 . . . . 0.0 113.499 -168.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -49.97 -36.5 44.28 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.842 3.028 . . . . 0.0 116.691 -175.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.96 -28.27 56.3 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.916 0.886 . . . . 0.0 112.893 174.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -69.38 -42.29 75.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.537 1.135 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -61.22 -47.76 84.6 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 122.883 0.473 . . . . 0.0 110.677 171.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -58.8 -41.27 86.32 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.699 0.8 . . . . 0.0 112.226 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.99 -48.29 82.52 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.37 0.668 . . . . 0.0 112.598 174.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.7 tt -61.98 -37.63 85.53 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.25 0.477 . . . . 0.0 111.162 175.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -50.92 -60.84 6.63 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 124.686 1.136 . . . . 0.0 114.162 167.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -50.12 -51.03 46.43 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.185 0.994 . . . . 0.0 111.595 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 48.6 t -57.07 -52.31 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 123.41 0.684 . . . . 0.0 111.963 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.504 HD23 ' CE2' ' B' ' 71' ' ' PHE . 46.3 tp -58.82 -50.38 74.17 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.812 0.845 . . . . 0.0 111.579 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 15.1 m -64.61 -32.41 57.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 118.628 0.649 . . . . 0.0 111.752 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 34.5 t -70.31 -29.01 65.63 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.458 -0.776 . . . . 0.0 112.485 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' VAL . . . . . 0.552 HG22 ' CD ' ' B' ' 30' ' ' ARG . 1.1 t -62.63 -36.96 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 O-C-N 120.705 -1.247 . . . . 0.0 111.025 171.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.81 -40.45 88.06 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.408 0.683 . . . . 0.0 110.033 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.27 -29.27 65.68 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 172.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -74.1 -62.89 1.35 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.665 1.12 . . . . 0.0 113.029 168.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -64.54 -24.0 67.46 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -171.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -126.91 36.46 4.45 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.057 1.743 . . . . 0.0 110.737 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.38 -13.63 23.21 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 125.572 1.558 . . . . 0.0 116.215 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -84.91 -7.75 59.04 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.718 1.207 . . . . 0.0 113.425 169.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -130.06 -4.28 4.48 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.379 1.871 . . . . 0.0 113.57 -170.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.39 40.7 0.08 Allowed 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 127.847 2.459 . . . . 0.0 115.713 -173.264 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 61.1 p -49.57 145.99 7.51 Favored Pre-proline 0 N--CA 1.477 0.894 0 O-C-N 119.776 -1.827 . . . . 0.0 113.149 -172.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_exo -42.63 -44.3 8.58 Favored 'Trans proline' 0 CA--C 1.548 1.189 0 C-N-CA 123.162 2.575 . . . . 0.0 115.84 174.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.24 -27.05 35.25 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.798 1.665 . . . . 0.0 115.381 173.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.91 -46.71 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 122.358 2.345 . . . . 0.0 112.483 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -63.63 -35.68 81.32 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.944 1.247 . . . . 0.0 111.667 174.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.84 95.55 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.972 0.806 . . . . 0.0 112.665 171.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.6 -47.1 87.72 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.326 0.65 . . . . 0.0 111.401 177.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 130' ' ' TYR . . . . . 0.446 ' CE1' HG23 ' B' ' 11' ' ' VAL . 30.2 m-85 -53.86 -55.47 26.46 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 122.458 0.303 . . . . 0.0 111.747 168.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -56.68 -36.19 69.32 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.807 -1.183 . . . . 0.0 113.233 -176.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -67.48 -38.48 84.47 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 120.189 1.359 . . . . 0.0 114.045 173.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.6 -33.69 50.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 CA-C-N 120.495 1.498 . . . . 0.0 112.429 171.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.44 HG22 ' CE2' ' B' ' 71' ' ' PHE . 47.2 t -68.61 -34.74 66.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-N 119.017 0.826 . . . . 0.0 111.866 175.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.17 -43.48 82.64 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 119.935 -1.728 . . . . 0.0 111.0 167.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.53 -52.58 50.98 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-O 119.636 -0.536 . . . . 0.0 113.222 170.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -42.91 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 118.378 1.089 . . . . 0.0 111.835 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.25 -47.43 79.67 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.883 0.873 . . . . 0.0 111.921 177.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -62.08 -36.3 81.26 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.3 -44.01 80.3 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.641 0.655 . . . . 0.0 112.441 174.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.49 -39.38 93.3 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.055 1.298 . . . . 0.0 111.896 172.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.97 -4.67 13.89 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 173.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -57.45 -37.82 73.46 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.126 -1.609 . . . . 0.0 113.557 -176.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -74.27 -4.07 33.91 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 174.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.84 -12.18 15.24 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.746 2.019 . . . . 0.0 113.255 -175.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.259 1.575 0 C-N-CA 127.229 2.212 . . . . 0.0 116.565 -173.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.274 9.4 p . . . . . 0 N--CA 1.511 2.609 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 47.7 mt -110.89 176.06 5.18 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 120.502 1.501 . . . . 0.0 111.999 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 59.6 p -93.92 163.6 23.3 Favored Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 125.296 1.439 . . . . 0.0 110.726 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.84 -43.1 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.036 1.824 . . . . 0.0 112.948 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.03 -45.67 73.33 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.781 -0.575 . . . . 0.0 112.096 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -66.44 -33.01 74.75 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.432 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -52.83 -53.01 54.86 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 119.408 1.003 . . . . 0.0 111.619 170.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 88.0 m -58.27 -39.94 80.56 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.558 0.743 . . . . 0.0 111.09 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -69.47 -34.09 73.84 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 72.6 t -64.14 -50.09 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 119.317 0.962 . . . . 0.0 110.48 167.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -56.48 -47.19 79.75 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 119.226 0.921 . . . . 0.0 111.742 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.58 -48.0 82.4 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.225 1.01 . . . . 0.0 111.908 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.16 -51.86 61.82 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.959 0.504 . . . . 0.0 112.205 175.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -65.36 -25.41 67.57 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.228 -0.92 . . . . 0.0 113.214 -176.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.77 -42.15 94.33 Favored Glycine 0 CA--C 1.537 1.411 0 O-C-N 121.174 -0.954 . . . . 0.0 113.164 167.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -68.97 -31.62 70.62 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 118.138 0.969 . . . . 0.0 112.288 174.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' C' ' 21' ' ' ALA . 77.5 t -68.63 -14.53 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.803 1.641 . . . . 0.0 113.509 176.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.45 135.12 4.01 Favored Glycine 0 CA--C 1.542 1.762 0 C-N-CA 124.837 1.208 . . . . 0.0 114.638 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 59.44 -32.0 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 128.641 2.776 . . . . 0.0 116.961 -171.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -78.49 -11.25 59.94 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.068 1.347 . . . . 0.0 114.024 172.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.462 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -49.85 -49.02 50.73 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.793 1.237 . . . . 0.0 113.509 -175.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.19 -37.85 91.57 Favored Glycine 0 N--CA 1.474 1.202 0 O-C-N 121.622 -0.674 . . . . 0.0 113.932 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.92 -45.85 89.36 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.515 1.126 . . . . 0.0 111.418 170.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -64.68 -39.24 93.32 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.187 -0.946 . . . . 0.0 112.841 174.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.78 -47.45 90.91 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-N 118.885 0.766 . . . . 0.0 112.594 172.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.8 -47.09 87.91 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.765 0.826 . . . . 0.0 111.678 176.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -59.13 -40.38 85.3 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 171.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.05 93.23 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.63 1.104 . . . . 0.0 112.364 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.8 -50.87 69.3 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.44 1.096 . . . . 0.0 111.672 172.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -60.54 -48.94 79.54 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.368 0.667 . . . . 0.0 112.462 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 ttm105 -60.22 -41.48 93.16 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.899 1.279 . . . . 0.0 111.157 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 39.3 ttp -60.03 -49.18 78.66 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.358 0.981 . . . . 0.0 112.923 171.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -57.75 -39.0 76.33 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.961 -0.462 . . . . 0.0 112.199 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 76.7 mt -75.48 -41.55 55.18 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.585 0.754 . . . . 0.0 112.684 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 70.4 p -75.0 -22.79 58.31 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -174.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -139.68 73.6 34.53 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 125.01 1.324 . . . . 0.0 109.945 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -49.08 -27.62 12.53 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 124.909 3.739 . . . . 0.0 115.405 -174.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -35.39 -45.89 0.35 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 128.095 2.558 . . . . 0.0 113.382 166.198 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 77.0 p -60.71 -26.93 67.52 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.433 1.493 . . . . 0.0 114.7 -176.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -60.01 -24.62 64.63 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.273 0.942 . . . . 0.0 113.3 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -57.69 -28.09 63.51 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -65.57 -21.85 66.63 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 t80 33.29 56.93 1.53 Allowed Pre-proline 0 CA--C 1.556 1.198 0 C-N-CA 127.796 2.438 . . . . 0.0 114.249 175.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -81.05 51.61 4.01 Favored 'Trans proline' 0 CA--C 1.548 1.209 0 C-N-CA 124.793 3.662 . . . . 0.0 113.758 -157.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.266 31.3 p80 46.4 31.51 1.3 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 127.07 2.148 . . . . 0.0 114.715 -169.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -90.46 152.27 21.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.644 1.178 . . . . 0.0 111.139 168.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -120.92 109.45 15.12 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.243 1.417 . . . . 0.0 108.681 168.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 69.9 mt -76.76 31.23 0.13 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.973 1.309 . . . . 0.0 113.126 -176.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 14.0 t -62.32 153.04 32.11 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.2 1.4 . . . . 0.0 112.04 177.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -56.76 116.5 3.2 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.763 0.825 . . . . 0.0 111.432 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.82 12.67 79.45 Favored Glycine 0 CA--C 1.538 1.481 0 CA-C-O 118.862 -0.965 . . . . 0.0 115.348 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 47.5 t -51.61 116.45 2.11 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.225 1.512 . . . . 0.0 114.124 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -27.11 68.29 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.258 1.023 . . . . 0.0 113.703 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.18 -45.11 88.1 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 119.016 0.826 . . . . 0.0 111.809 175.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.83 -42.27 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.59 0.756 . . . . 0.0 111.303 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -62.9 -47.81 81.7 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.101 0.56 . . . . 0.0 111.639 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.92 -50.73 61.18 Favored Glycine 0 N--CA 1.467 0.725 0 C-N-CA 124.714 1.149 . . . . 0.0 112.473 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -59.47 -39.62 84.29 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.456 1.128 . . . . 0.0 111.949 174.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.21 -51.83 48.06 Favored Glycine 0 CA--C 1.532 1.126 0 O-C-N 121.347 -0.846 . . . . 0.0 113.323 168.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -57.38 -41.57 80.46 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.3 1.04 . . . . 0.0 113.002 172.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -63.27 -51.86 64.41 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 119.819 1.19 . . . . 0.0 112.409 175.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 77.5 t -55.98 -44.78 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 119.441 1.019 . . . . 0.0 110.934 176.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 63' ' ' ALA . . . . . 0.462 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -64.07 -46.94 82.09 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 176.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.28 -35.9 82.34 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.132 -0.98 . . . . 0.0 111.866 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 65' ' ' ALA . . . . . 0.452 ' HB2' HMA1 ' C' ' 201' ' ' HEC . . . -63.4 -38.04 89.62 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 169.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.55 -42.58 98.37 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.12 0.873 . . . . 0.0 112.308 168.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 57.3 m -58.72 -45.71 88.98 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 120.36 1.437 . . . . 0.0 111.677 172.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -58.05 -42.16 84.83 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.813 1.245 . . . . 0.0 112.419 172.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.02 -54.05 51.54 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.564 0.62 . . . . 0.0 111.252 171.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -56.44 -40.11 65.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.17 0.988 . . . . 0.0 111.912 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.1 -18.3 65.26 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -138.97 25.06 2.54 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.935 1.294 . . . . 0.0 112.242 -172.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 1.3 p -63.12 -23.47 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 -151.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.64 -4.35 57.83 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 174.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -124.02 2.45 8.66 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 127.702 2.401 . . . . 0.0 112.63 176.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 20.0 ptt? -54.53 -23.18 0.87 Allowed Pre-proline 0 CA--C 1.544 0.718 0 N-CA-C 116.602 2.075 . . . . 0.0 116.602 175.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -46.36 -23.59 2.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 C-N-CA 123.252 2.635 . . . . 0.0 116.238 163.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -103.27 -42.54 5.71 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.703 1.138 . . . . 0.0 112.44 168.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.42 -11.21 21.35 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 115.818 1.785 . . . . 0.0 115.818 -176.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 88.5 mt -109.38 8.08 25.29 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.884 1.274 . . . . 0.0 113.56 175.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 95.8 p -56.25 -33.58 65.57 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -175.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.59 -17.68 48.06 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 174.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 18.0 mt -105.98 -39.61 5.94 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.366 1.067 . . . . 0.0 111.391 -169.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 2.8 p -55.89 -43.79 77.56 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.989 -0.529 . . . . 0.0 110.091 157.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -56.86 -52.7 64.1 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 171.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 pp -60.91 -37.35 81.96 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.872 1.214 . . . . 0.0 112.767 -175.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -72.43 -47.28 50.26 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.638 1.108 . . . . 0.0 111.179 173.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.84 -32.45 70.68 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -177.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -115.82 12.38 15.85 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -173.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 9.8 ttpp -145.17 -28.79 0.45 Allowed 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 176.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 69.9 mt -139.33 -26.09 0.83 Allowed 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 -166.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 27.91 42.69 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 130.362 3.465 . . . . 0.0 117.37 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.41 138.65 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 O-C-N 121.016 -1.053 . . . . 0.0 110.538 172.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.67 161.21 78.63 Favored Pre-proline 0 CA--C 1.557 1.237 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -53.37 -14.77 4.87 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 124.516 3.477 . . . . 0.0 118.784 -178.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 5.1 p -55.24 -38.5 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 122.126 2.239 . . . . 0.0 112.579 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -65.42 -29.92 70.67 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 175.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 98' ' ' PHE . . . . . 0.419 ' CD1' ' HB3' ' C' ' 133' ' ' SER . 0.0 OUTLIER -59.53 -57.49 12.74 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 119.774 1.17 . . . . 0.0 109.13 168.514 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -54.04 -49.0 69.95 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.081 0.552 . . . . 0.0 110.075 -172.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 57.5 mt -57.36 -60.51 3.53 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.975 0.91 . . . . 0.0 111.945 175.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 101' ' ' LEU . . . . . 0.423 HD11 HBB3 ' C' ' 201' ' ' HEC . 0.2 OUTLIER -63.56 -35.37 80.26 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.774 1.17 . . . . 0.0 111.801 -174.266 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 58.0 m -65.51 -44.23 87.64 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.648 1.113 . . . . 0.0 113.151 174.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 60.0 m170 -57.64 -47.05 83.31 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.285 0.948 . . . . 0.0 110.697 169.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 98.5 m -63.36 -34.04 76.85 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 19.8 mt -65.12 -53.51 44.1 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.54 1.136 . . . . 0.0 111.149 171.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 61.4 mt -51.87 -44.06 63.54 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.287 1.035 . . . . 0.0 110.64 176.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 10.1 t -54.15 -48.23 66.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 124.56 1.144 . . . . 0.0 112.539 171.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -40.68 96.99 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.361 1.437 . . . . 0.0 113.263 172.102 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.73 -43.74 95.62 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.296 0.953 . . . . 0.0 110.184 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.31 -34.77 48.43 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 171.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.89 -10.03 59.68 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -174.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -132.86 -31.38 1.32 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -174.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.2 mp -72.33 171.12 10.44 Favored Pre-proline 0 CA--C 1.554 1.125 0 CA-C-N 118.758 0.708 . . . . 0.0 109.894 166.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.31 -158.32 0.01 OUTLIER 'Trans proline' 0 CA--C 1.548 1.19 0 C-N-CA 124.145 3.23 . . . . 0.0 113.307 156.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.75 52.17 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.072 1.749 . . . . 0.0 114.716 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.16 -6.51 0.1 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 127.92 2.488 . . . . 0.0 115.626 -178.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -80.07 14.78 1.71 Allowed 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.494 1.518 . . . . 0.0 113.792 168.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 5.6 p -54.44 156.16 6.36 Favored Pre-proline 0 N--CA 1.468 0.474 0 CA-C-N 119.169 0.895 . . . . 0.0 110.991 174.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -52.8 -31.43 51.43 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 122.391 2.061 . . . . 0.0 115.082 168.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.21 -33.38 65.34 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 175.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 47.2 t -110.82 -28.97 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 121.092 -1.005 . . . . 0.0 112.605 -166.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.37 -53.2 20.65 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.662 -1.274 . . . . 0.0 112.532 177.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.83 91.08 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 118.797 0.726 . . . . 0.0 110.648 172.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 7.5 t -49.17 -61.85 1.85 Allowed 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.039 0.936 . . . . 0.0 111.961 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.76 -41.16 88.22 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.754 0.706 . . . . 0.0 112.851 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.0 -53.91 42.58 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.562 1.074 . . . . 0.0 112.007 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . 0.272 0.0 OUTLIER -68.39 -25.55 65.11 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.324 0.65 . . . . 0.0 112.405 177.82 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -64.9 -54.87 23.95 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.868 1.213 . . . . 0.0 112.054 165.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.02 -37.3 82.06 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 120.027 1.285 . . . . 0.0 112.351 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.48 -38.48 91.29 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.471 0.708 . . . . 0.0 112.676 170.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 21.9 t -63.4 -42.14 98.77 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 120.445 -1.409 . . . . 0.0 112.49 169.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.6 -48.93 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 120.909 -1.12 . . . . 0.0 111.307 174.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 133' ' ' SER . . . . . 0.419 ' HB3' ' CD1' ' C' ' 98' ' ' PHE . 84.9 p -68.9 -40.78 78.96 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.275 0.943 . . . . 0.0 113.121 177.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 1.9 m -47.71 -51.3 22.45 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.954 1.302 . . . . 0.0 110.313 167.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 32.9 t -63.31 -42.16 95.36 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 O-C-N 121.406 -0.809 . . . . 0.0 112.917 175.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -13.48 40.08 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 174.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 2.4 t -115.35 -5.01 12.31 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.893 1.277 . . . . 0.0 113.185 175.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 68.5 m -66.56 177.96 1.41 Allowed 'General case' 0 CA--C 1.546 0.799 0 O-C-N 120.606 -1.309 . . . . 0.0 110.962 149.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm 57.69 23.64 9.69 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 125.33 1.452 . . . . 0.0 114.514 -177.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -63.86 138.94 58.7 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.54 -0.725 . . . . 0.0 111.024 169.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.181 0 C-N-CA 129.571 3.148 . . . . 0.0 116.391 -171.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.338 2.6 p . . . . . 0 N--CA 1.514 2.766 0 CA-C-O 116.849 -1.548 . . . . 0.0 112.712 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 7.7 p80 24.84 71.39 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 127.452 2.301 . . . . 0.0 115.983 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.07 156.14 15.58 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.803 0.841 . . . . 0.0 111.697 178.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 20.0 p -68.01 160.93 71.72 Favored Pre-proline 0 N--CA 1.477 0.905 0 O-C-N 121.692 -0.63 . . . . 0.0 110.607 163.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -54.53 -40.25 84.57 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 122.734 2.289 . . . . 0.0 113.646 172.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.67 -40.89 72.71 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.38 0.672 . . . . 0.0 112.252 178.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -60.42 -51.46 69.38 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.729 -0.607 . . . . 0.0 111.032 171.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -57.17 -44.47 83.55 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.626 177.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 34.5 t -55.77 -50.1 71.34 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 118.532 0.605 . . . . 0.0 110.995 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.77 -51.28 70.67 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 11' ' ' VAL . . . . . 0.443 HG23 ' CE1' ' D' ' 130' ' ' TYR . 2.6 p -67.73 -47.05 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 119.576 1.08 . . . . 0.0 112.556 178.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 27.6 m -69.83 -38.43 76.53 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 120.319 -1.488 . . . . 0.0 111.281 -171.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.95 -39.07 92.93 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.008 -1.058 . . . . 0.0 112.268 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.67 -40.58 76.33 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.988 -0.445 . . . . 0.0 110.925 175.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -37.27 72.08 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.031 -1.043 . . . . 0.0 112.971 168.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.65 -29.7 70.48 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.673 1.13 . . . . 0.0 114.995 175.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -100.74 -10.61 20.66 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.38 141.21 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.192 0.997 . . . . 0.0 112.496 -176.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -88.97 79.4 7.3 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.06 0.944 . . . . 0.0 109.677 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 88.1 t -48.05 -45.11 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 125.192 1.397 . . . . 0.0 114.604 -166.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -60.53 -54.88 40.16 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.775 0.83 . . . . 0.0 112.249 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -68.12 -55.1 13.63 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.443 0.697 . . . . 0.0 111.339 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 p -64.99 -33.38 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 O-C-N 121.492 -0.755 . . . . 0.0 112.583 -175.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.02 -42.87 50.65 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-N 118.474 0.579 . . . . 0.0 111.763 175.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.93 -45.54 95.45 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-N 118.031 0.916 . . . . 0.0 112.505 173.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -44.74 92.76 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 117.847 0.824 . . . . 0.0 111.027 172.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.91 -51.41 69.4 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 120.044 1.293 . . . . 0.0 112.688 176.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 tp -68.57 -35.44 77.39 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.641 -0.662 . . . . 0.0 111.892 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.416 ' O ' HG13 ' D' ' 33' ' ' VAL . . . -62.23 -54.6 33.34 Favored Glycine 0 N--CA 1.466 0.671 0 CA-C-N 119.463 1.029 . . . . 0.0 111.463 170.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 30' ' ' ARG . . . . . 0.536 ' CD ' HG22 ' D' ' 113' ' ' VAL . 4.7 mtt-85 -44.75 -44.91 9.63 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.642 1.577 . . . . 0.0 112.0 175.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 32.5 tp -46.38 -53.52 10.8 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.91 0.756 . . . . 0.0 110.563 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 32' ' ' LEU . . . . . 0.418 ' H ' HD22 ' D' ' 32' ' ' LEU . 0.6 OUTLIER -72.21 -32.84 67.12 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.02 0.827 . . . . 0.0 111.002 -179.528 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 33' ' ' VAL . . . . . 0.416 HG13 ' O ' ' D' ' 29' ' ' GLY . 0.8 OUTLIER -69.08 -9.03 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 178.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.52 -7.44 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-N 119.543 1.065 . . . . 0.0 112.996 166.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 10.3 t80 51.31 49.73 7.6 Favored Pre-proline 0 CA--C 1.564 1.511 0 O-C-N 120.48 -1.388 . . . . 0.0 113.878 -165.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -84.44 164.83 12.59 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.81 2.34 . . . . 0.0 113.191 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -58.3 -30.22 66.48 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 165.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 59.7 p -56.58 -27.34 57.68 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 120.843 -1.161 . . . . 0.0 113.184 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -6.97 19.44 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 178.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -54.47 -24.59 20.98 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 121.26 1.845 . . . . 0.0 114.649 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -93.63 4.41 53.99 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.748 1.219 . . . . 0.0 114.041 176.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.35 -18.72 1.72 Allowed 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 116.39 1.996 . . . . 0.0 116.39 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -56.61 -30.48 63.3 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.601 1.16 . . . . 0.0 113.743 177.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 81.0 p -79.66 -12.3 59.82 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 175.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -83.14 -15.43 50.73 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 121.106 -0.996 . . . . 0.0 111.795 177.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.88 25.69 74.15 Favored Glycine 0 N--CA 1.476 1.361 0 C-N-CA 125.391 1.472 . . . . 0.0 116.303 161.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -155.22 -119.26 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 124.249 1.02 . . . . 0.0 110.994 -164.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . 0.267 0.0 OUTLIER 51.52 3.59 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 130.717 3.607 . . . . 0.0 118.826 166.769 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 59.6 p -64.09 -17.73 63.7 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.202 1.401 . . . . 0.0 114.38 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 22.8 p -138.76 157.27 72.14 Favored Pre-proline 0 N--CA 1.475 0.78 0 C-N-CA 125.195 1.398 . . . . 0.0 111.332 172.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -63.9 -37.45 44.23 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.922 2.415 . . . . 0.0 114.013 177.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.96 -28.67 64.64 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.29 -51.59 35.75 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.653 0.781 . . . . 0.0 112.378 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.93 -35.57 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -171.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 27.4 ttm -83.9 -6.27 59.39 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.82 -20.81 5.21 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.093 1.33 . . . . 0.0 114.918 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -51.35 119.39 12.66 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 126.304 1.842 . . . . 0.0 113.043 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.16 -39.97 26.7 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 124.248 3.299 . . . . 0.0 115.275 174.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.87 -38.44 86.32 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.671 1.123 . . . . 0.0 112.584 178.326 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 85.2 t -69.6 -37.69 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 118.78 0.718 . . . . 0.0 111.3 173.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -61.41 -49.49 76.65 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.339 0.972 . . . . 0.0 111.957 171.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.39 -51.88 63.97 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.502 1.121 . . . . 0.0 112.846 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -33.79 72.29 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.685 -1.259 . . . . 0.0 111.444 173.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.29 -47.12 91.47 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.799 1.666 . . . . 0.0 113.941 169.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -57.67 -46.19 84.58 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.366 1.083 . . . . 0.0 111.074 169.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.95 -52.34 65.9 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-O 118.454 -0.784 . . . . 0.0 112.668 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 p -58.12 -46.05 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 119.636 1.107 . . . . 0.0 112.116 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 tt -63.29 -40.1 96.42 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.587 -0.696 . . . . 0.0 111.768 176.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.44 -37.64 82.97 Favored Glycine 0 N--CA 1.47 0.961 0 C-N-CA 125.672 1.606 . . . . 0.0 113.145 177.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.38 -44.22 92.03 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 117.973 0.886 . . . . 0.0 111.898 169.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 71' ' ' PHE . . . . . 0.503 ' CE2' HD23 ' D' ' 110' ' ' LEU . 1.8 m-85 -63.1 -41.24 99.34 Favored 'General case' 0 CA--C 1.551 0.99 0 O-C-N 120.646 -1.284 . . . . 0.0 111.586 178.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 78.6 p -69.39 -37.96 77.77 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.931 -1.106 . . . . 0.0 113.336 174.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -58.43 -40.33 82.26 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.501 1.046 . . . . 0.0 111.552 168.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.95 -52.32 52.96 Favored Glycine 0 C--N 1.339 0.712 0 C-N-CA 124.073 0.844 . . . . 0.0 112.153 174.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 32.2 mt -59.11 -9.25 1.9 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.328 1.451 . . . . 0.0 114.91 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -111.49 -6.72 14.39 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.299 1.839 . . . . 0.0 114.382 176.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -138.34 30.04 2.42 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.702 1.601 . . . . 0.0 112.918 -177.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 75.5 mt -56.67 -20.45 21.61 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -177.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -59.05 -40.63 85.69 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.175 0.99 . . . . 0.0 113.067 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -149.06 35.44 0.75 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 124.753 1.221 . . . . 0.0 113.289 -173.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -48.39 -28.04 2.97 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -54.17 -31.81 53.75 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.64 1.576 . . . . 0.0 113.495 176.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -89.14 -37.06 7.31 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.15 0.881 . . . . 0.0 113.907 176.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.99 -23.47 67.46 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 118.576 1.188 . . . . 0.0 113.988 -175.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -102.41 4.53 38.95 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -177.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.53 -34.96 52.29 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 120.814 1.643 . . . . 0.0 115.23 -170.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 24.6 p -66.79 -38.09 85.86 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.708 1.203 . . . . 0.0 112.924 173.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 29.8 mt -68.31 -41.64 80.58 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.716 0.806 . . . . 0.0 110.918 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 3.5 m -59.72 -38.46 81.74 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.073 0.851 . . . . 0.0 111.906 174.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -62.94 -49.29 75.33 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.638 -0.664 . . . . 0.0 112.144 171.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 45.7 tp -55.26 -51.17 67.52 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.037 -1.04 . . . . 0.0 111.6 174.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -75.94 -11.43 59.96 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -175.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 49.2 t -107.95 -80.73 0.57 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.146 0.978 . . . . 0.0 110.696 171.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -56.95 -20.65 24.85 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 -172.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -116.32 -5.25 11.8 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 175.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 96.2 mt -144.19 -37.1 0.32 Allowed 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 40.67 25.76 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.163 2.585 . . . . 0.0 116.217 -172.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 3.6 m -58.54 132.01 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.235 1.014 . . . . 0.0 111.887 -176.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.56 146.6 93.74 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 125.198 1.399 . . . . 0.0 113.532 -168.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -50.0 -36.53 44.63 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.941 3.094 . . . . 0.0 116.734 -175.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.9 -27.91 54.22 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.986 0.915 . . . . 0.0 113.001 174.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -70.22 -41.97 72.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.302 1.041 . . . . 0.0 110.901 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -61.1 -47.9 84.18 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.172 0.589 . . . . 0.0 110.719 171.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -58.82 -40.82 85.29 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.969 0.908 . . . . 0.0 112.604 178.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.26 -48.42 81.5 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.593 0.757 . . . . 0.0 112.85 173.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.01 -37.83 86.33 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 118.569 0.622 . . . . 0.0 110.869 175.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -51.48 -60.34 7.43 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 125.045 1.307 . . . . 0.0 114.357 167.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -49.62 -51.74 35.41 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.796 1.238 . . . . 0.0 111.923 173.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.42 -53.52 39.47 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.949 0.9 . . . . 0.0 111.591 177.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 110' ' ' LEU . . . . . 0.503 HD23 ' CE2' ' D' ' 71' ' ' PHE . 46.2 tp -58.63 -49.88 75.89 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.09 0.859 . . . . 0.0 111.521 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 m -64.42 -32.47 57.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 C-N-CA 120.053 -0.659 . . . . 0.0 112.367 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 35.3 t -70.24 -28.26 65.11 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.08 -1.013 . . . . 0.0 112.398 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 113' ' ' VAL . . . . . 0.536 HG22 ' CD ' ' D' ' 30' ' ' ARG . 1.1 t -63.06 -37.27 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 O-C-N 120.753 -1.217 . . . . 0.0 111.346 171.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 mt -65.96 -41.05 91.73 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.939 0.896 . . . . 0.0 110.248 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.1 -29.34 65.39 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 172.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -74.23 -62.93 1.35 Allowed 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.802 1.183 . . . . 0.0 112.869 168.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -64.55 -23.98 67.45 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -171.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -127.14 36.4 4.43 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.002 1.721 . . . . 0.0 110.724 -177.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.28 -13.58 22.21 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 125.539 1.542 . . . . 0.0 116.253 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -84.99 -7.82 58.99 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.625 1.17 . . . . 0.0 113.468 169.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -129.69 -4.72 4.67 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.442 1.897 . . . . 0.0 113.671 -170.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.79 40.65 0.07 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 127.761 2.425 . . . . 0.0 115.935 -173.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 66.6 p -49.99 146.13 8.42 Favored Pre-proline 0 N--CA 1.473 0.682 0 O-C-N 119.719 -1.863 . . . . 0.0 113.179 -172.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -42.57 -44.54 8.45 Favored 'Trans proline' 0 CA--C 1.55 1.276 0 C-N-CA 123.184 2.589 . . . . 0.0 115.859 174.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.05 -26.96 36.52 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 121.709 1.606 . . . . 0.0 115.378 173.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.02 -46.49 78.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 122.364 2.347 . . . . 0.0 112.452 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -63.62 -36.05 82.53 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.177 1.353 . . . . 0.0 111.424 174.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.48 -45.58 93.21 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.989 0.813 . . . . 0.0 112.64 171.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.07 -48.1 82.84 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.908 0.883 . . . . 0.0 111.286 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 130' ' ' TYR . . . . . 0.443 ' CE1' HG23 ' D' ' 11' ' ' VAL . 29.2 m-85 -54.38 -54.43 40.62 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 122.074 -0.391 . . . . 0.0 111.509 169.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -57.28 -35.85 70.3 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.921 -1.112 . . . . 0.0 113.207 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -67.83 -38.12 82.79 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 120.021 1.282 . . . . 0.0 114.059 173.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 11.0 p -71.74 -33.77 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 120.469 1.486 . . . . 0.0 112.244 171.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 134' ' ' VAL . . . . . 0.448 HG22 ' CE2' ' D' ' 71' ' ' PHE . 48.6 t -68.69 -34.49 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 119.029 0.831 . . . . 0.0 111.847 174.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.9 -42.97 85.8 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.036 -1.04 . . . . 0.0 111.109 168.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.43 -52.68 50.29 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 123.519 0.58 . . . . 0.0 113.284 170.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.8 -43.15 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 118.416 1.108 . . . . 0.0 111.891 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.81 -47.88 79.08 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.015 0.926 . . . . 0.0 111.747 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -62.13 -36.24 81.19 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.764 -0.585 . . . . 0.0 112.563 174.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.0 -44.26 80.79 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.694 0.679 . . . . 0.0 112.422 174.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 8.3 mt -62.27 -39.69 93.74 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.273 1.397 . . . . 0.0 111.918 172.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.77 -4.64 13.04 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 173.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -57.65 -37.83 74.03 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 120.054 -1.654 . . . . 0.0 113.41 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -74.11 -4.13 33.79 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 174.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.84 -12.3 15.22 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.816 2.047 . . . . 0.0 113.201 -175.427 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.256 1.447 0 C-N-CA 127.201 2.201 . . . . 0.0 116.535 -173.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.478 ' HHD' HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 201' ' ' HEC . . . . . 0.472 HBC3 ' HHD' ' C' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.509 2.486 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.8 mt -142.06 -167.41 2.46 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.738 1.615 . . . . 0.0 112.956 -170.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.26 164.0 30.5 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 127.899 2.48 . . . . 0.0 111.03 -178.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.04 -44.25 0.13 Allowed 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.436 2.09 . . . . 0.0 113.269 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.17 72.35 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.597 -0.689 . . . . 0.0 112.453 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.44 -45.52 84.59 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.615 0.643 . . . . 0.0 110.921 176.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -53.81 -49.54 68.12 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.863 0.865 . . . . 0.0 110.766 175.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.2 m -56.04 -45.58 79.17 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.384 0.674 . . . . 0.0 112.127 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -67.41 -35.62 79.65 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.555 -0.716 . . . . 0.0 112.611 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.5 t -65.22 -51.19 68.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 118.628 0.649 . . . . 0.0 111.192 172.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.3 -41.15 83.78 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.189 0.996 . . . . 0.0 111.036 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.7 -53.98 50.87 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.655 0.782 . . . . 0.0 111.841 173.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.46 -54.76 41.93 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.492 0.587 . . . . 0.0 111.352 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -62.14 -26.16 68.15 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.76 -41.36 98.94 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.761 1.172 . . . . 0.0 113.717 172.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -22.1 39.77 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 118.607 1.203 . . . . 0.0 112.867 170.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.7 t -62.18 -44.41 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-O 117.948 -1.025 . . . . 0.0 111.69 168.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 40.38 -128.88 2.96 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 124.976 1.274 . . . . 0.0 115.683 168.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.76 -24.59 67.83 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 121.168 -1.195 . . . . 0.0 114.048 175.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -67.46 -12.79 61.14 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.145 1.378 . . . . 0.0 113.197 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.545 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -46.68 -49.95 18.54 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.644 1.178 . . . . 0.0 114.131 -177.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.09 -39.92 97.64 Favored Glycine 0 CA--C 1.528 0.858 0 CA-C-O 119.531 -0.594 . . . . 0.0 113.605 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -40.7 91.94 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 117.885 0.843 . . . . 0.0 111.522 175.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -66.78 -38.59 86.84 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.269 -0.895 . . . . 0.0 112.124 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.62 -50.55 65.99 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-N 119.011 0.823 . . . . 0.0 112.296 169.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.13 -51.12 69.11 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.998 0.919 . . . . 0.0 112.522 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.04 -43.47 91.66 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 123.193 0.597 . . . . 0.0 112.187 174.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.06 -35.71 77.68 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 118.816 0.735 . . . . 0.0 112.884 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.8 mt -67.28 -53.68 27.65 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.622 0.769 . . . . 0.0 111.72 174.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -55.61 -45.33 77.5 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.951 0.882 . . . . 0.0 112.214 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.469 HH12 ' HB ' ' A' ' 107' ' ' VAL . 10.7 mmm-85 -55.12 -48.29 73.85 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.279 1.432 . . . . 0.0 112.96 170.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.9 tmm? -60.74 -41.8 96.09 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.544 1.065 . . . . 0.0 111.833 176.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -59.14 -43.32 92.03 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 120.226 1.375 . . . . 0.0 113.765 174.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.4 mt -75.61 -46.86 29.24 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.148 0.579 . . . . 0.0 111.437 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 t -86.5 -7.62 58.24 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.006 1.722 . . . . 0.0 114.253 -170.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CG ' HD13 ' A' ' 100' ' ' LEU . 2.0 t80 -144.27 72.15 16.17 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 123.993 0.917 . . . . 0.0 109.879 174.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -44.4 -29.53 3.18 Favored 'Trans proline' 0 C--N 1.359 1.104 1 C-N-CA 125.413 4.075 . . . . 0.0 116.556 -170.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.9 m -45.0 -35.53 2.96 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 125.849 1.659 . . . . 0.0 114.595 170.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 37.5 p -67.26 -26.07 66.38 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 121.225 1.83 . . . . 0.0 113.391 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -62.32 -26.4 68.41 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.627 -1.296 . . . . 0.0 112.446 166.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.542 HG21 ' HB2' ' D' ' 93' ' ' CYS . 0.4 OUTLIER -65.32 -17.33 64.43 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 170.638 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -0.45 6.73 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.767 1.167 . . . . 0.0 114.142 174.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 t80 47.99 59.82 16.21 Favored Pre-proline 0 CA--C 1.554 1.11 0 C-N-CA 125.252 1.421 . . . . 0.0 112.298 -171.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -55.05 133.7 59.6 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.262 1.975 . . . . 0.0 111.29 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -73.81 -11.35 60.35 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 172.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.76 155.51 30.01 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.636 1.974 . . . . 0.0 113.816 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.0 -33.8 17.05 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -176.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.9 mt 45.61 36.29 2.53 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 126.346 1.859 . . . . 0.0 114.246 -173.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.5 t -87.28 29.79 0.83 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.098 1.759 . . . . 0.0 114.229 -169.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.6 t60 61.79 138.04 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 127.65 2.38 . . . . 0.0 114.124 -165.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.93 15.92 58.8 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.698 1.142 . . . . 0.0 115.402 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -53.15 123.16 11.0 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.38 1.872 . . . . 0.0 115.017 -166.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.59 -29.19 64.27 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.087 1.355 . . . . 0.0 114.197 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -76.76 -36.31 57.15 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.529 -0.732 . . . . 0.0 112.788 176.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.9 t -72.65 -39.45 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.215 -0.928 . . . . 0.0 111.485 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -61.92 -39.57 92.5 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 119.664 1.12 . . . . 0.0 112.957 172.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.03 -47.15 39.6 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 124.104 0.859 . . . . 0.0 112.74 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -59.61 -44.38 93.43 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.958 -0.73 . . . . 0.0 111.059 171.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.24 -51.74 40.11 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 124.903 1.24 . . . . 0.0 113.403 173.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -55.71 -40.73 72.83 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 118.976 1.388 . . . . 0.0 112.931 171.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -46.15 69.51 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.536 1.062 . . . . 0.0 113.173 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.0 t -55.96 -46.15 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 124.564 1.145 . . . . 0.0 110.383 171.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.545 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -62.88 -46.77 86.28 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 177.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.51 -37.14 86.17 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 119.392 0.996 . . . . 0.0 111.828 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.33 -34.22 77.81 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.178 -0.951 . . . . 0.0 113.531 169.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.33 -44.95 93.46 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 120.176 1.353 . . . . 0.0 112.126 165.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.4 m -54.77 -44.5 73.74 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 120.583 1.538 . . . . 0.0 111.723 170.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -60.42 -40.81 92.39 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.262 1.025 . . . . 0.0 112.176 173.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.6 82.98 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 118.459 0.572 . . . . 0.0 111.237 172.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.0 t -58.74 -44.97 91.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 119.676 1.125 . . . . 0.0 112.029 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.21 -23.12 67.19 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.245 1.418 . . . . 0.0 113.923 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -137.11 34.81 2.56 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 125.266 1.426 . . . . 0.0 111.268 -171.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . 0.255 2.5 p -63.57 -21.79 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 O-C-N 119.359 -2.088 . . . . 0.0 115.459 -159.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -106.0 5.14 30.1 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.848 1.659 . . . . 0.0 113.007 173.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -133.92 -1.86 2.97 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.95 2.5 . . . . 0.0 112.393 -168.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.3 ptt? -73.09 -10.0 0.17 Allowed Pre-proline 0 CA--C 1.546 0.791 0 CA-C-O 114.199 -2.81 . . . . 0.0 118.008 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -38.91 -42.22 1.94 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 123.834 3.023 . . . . 0.0 116.37 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -101.75 -18.4 15.82 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 171.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.0 -23.81 64.14 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 120.529 1.513 . . . . 0.0 114.093 -176.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.7 mt -96.52 7.5 46.37 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.595 0.758 . . . . 0.0 112.121 169.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.4 t -57.97 -39.93 79.4 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.057 1.299 . . . . 0.0 113.115 -174.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.65 -32.9 67.75 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 119.169 0.895 . . . . 0.0 112.6 173.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.64 -34.47 34.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.59 1.156 . . . . 0.0 111.551 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.0 t -59.6 -51.88 67.91 Favored 'General case' 0 N--CA 1.462 0.143 0 O-C-N 122.226 -0.296 . . . . 0.0 110.986 166.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -56.75 -37.87 71.62 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.433 1.093 . . . . 0.0 111.637 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.03 -71.27 0.09 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 118.045 -0.979 . . . . 0.0 111.431 161.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -19.17 64.03 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.999 1.272 . . . . 0.0 113.697 -165.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.73 -67.96 0.83 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 126.289 1.836 . . . . 0.0 110.349 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -64.87 -15.11 61.51 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -130.7 153.15 49.28 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.446 1.898 . . . . 0.0 110.42 169.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.0 mt 57.51 -17.73 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 117.972 2.582 . . . . 0.0 117.972 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.435 ' HD3' ' HA ' ' D' ' 41' ' ' PHE . 0.0 OUTLIER 52.77 22.29 2.25 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.878 2.471 . . . . 0.0 117.05 -171.453 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.2 t -35.19 105.89 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.435 1.894 . . . . 0.0 112.927 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.66 123.74 75.76 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-O 118.42 -0.8 . . . . 0.0 111.151 -177.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -55.52 -19.86 24.7 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.993 2.462 . . . . 0.0 114.583 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.1 t -57.92 -34.69 49.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 O-C-N 119.803 -1.811 . . . . 0.0 111.034 168.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -57.12 -36.8 71.09 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 120.256 1.389 . . . . 0.0 113.91 172.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 133' ' ' SER . 3.3 t80 -56.62 -45.13 81.66 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -59.18 -34.02 71.63 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.615 -0.678 . . . . 0.0 111.57 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.434 ' H ' ' HG ' ' A' ' 100' ' ' LEU . 1.4 mt -69.48 -51.03 39.77 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 124.821 1.249 . . . . 0.0 110.153 -178.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.27 -35.36 78.74 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 117.676 0.217 . . . . 0.0 110.812 176.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.7 m -66.62 -46.54 75.49 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.618 1.167 . . . . 0.0 113.146 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.479 ' CG ' HD21 ' B' ' 108' ' ' ASN . 0.4 OUTLIER -49.4 -49.98 42.47 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.477 0.58 . . . . 0.0 109.781 162.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 72.7 m -58.65 -40.08 82.42 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 117.727 -1.13 . . . . 0.0 113.821 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.3 mt -59.62 -58.42 8.67 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 117.522 -1.227 . . . . 0.0 111.674 168.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -45.15 -46.25 11.86 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.537 1.135 . . . . 0.0 110.933 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.529 HG22 ' HA ' ' B' ' 112' ' ' CYS . 55.4 t -59.15 -52.19 63.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 174.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.7 m -64.23 -36.84 85.39 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 122.015 -0.428 . . . . 0.0 112.138 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.3 mt -60.54 -46.93 88.36 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.336 0.654 . . . . 0.0 109.327 172.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.56 70.51 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.96 -5.07 3.95 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 172.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -134.81 -26.64 1.34 Allowed 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.4 mp -91.84 165.95 19.08 Favored Pre-proline 0 CA--C 1.559 1.293 0 C-N-CA 125.695 1.598 . . . . 0.0 113.294 -177.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.48 -56.97 1.21 Allowed 'Trans proline' 0 C--N 1.361 1.234 0 C-N-CA 124.001 3.134 . . . . 0.0 115.124 -170.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.67 -50.77 2.07 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.391 1.476 . . . . 0.0 111.115 171.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 64.3 -22.36 0.07 Allowed 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 -171.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -98.18 13.77 30.04 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.155 1.782 . . . . 0.0 114.842 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.46 163.86 13.53 Favored Pre-proline 0 N--CA 1.488 1.431 0 CA-C-N 120.445 1.475 . . . . 0.0 110.397 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -56.91 -50.25 12.05 Favored 'Trans proline' 0 C--N 1.348 0.552 0 CA-C-N 121.561 1.593 . . . . 0.0 111.486 169.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.5 86.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.993 0.917 . . . . 0.0 112.185 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.4 t -89.35 -41.47 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 121.297 -0.877 . . . . 0.0 112.564 -177.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -72.46 -50.32 26.97 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 120.202 1.365 . . . . 0.0 112.391 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.99 -45.49 82.95 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 119.456 1.026 . . . . 0.0 110.07 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 31.1 t -56.87 -58.7 7.0 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 174.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 58.8 mt -68.54 -33.32 73.89 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 120.466 1.485 . . . . 0.0 112.493 -174.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -62.08 -49.7 74.88 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 120.22 1.373 . . . . 0.0 112.012 170.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -29.81 57.61 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -178.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -66.02 -55.02 18.77 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 125.313 1.445 . . . . 0.0 109.736 170.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -58.61 -40.81 84.33 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.248 0.931 . . . . 0.0 108.73 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.82 -41.15 67.03 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 119.403 -2.061 . . . . 0.0 114.299 170.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.8 p -72.02 -35.47 69.42 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.946 1.703 . . . . 0.0 113.761 173.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.78 -41.96 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-N 119.814 1.188 . . . . 0.0 109.716 167.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.47 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . 3.6 t -59.39 -58.22 9.57 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.382 1.073 . . . . 0.0 111.771 169.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 55.3 m -49.66 -38.58 33.1 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.722 1.609 . . . . 0.0 112.71 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 77.5 t -83.99 -40.88 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 124.455 1.102 . . . . 0.0 112.155 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -26.28 60.36 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.59 1.541 . . . . 0.0 112.394 164.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 4.9 t -105.93 21.37 17.41 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.648 1.579 . . . . 0.0 112.56 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.9 m . . . . . 0 CA--C 1.542 0.653 0 O-C-N 120.743 -1.223 . . . . 0.0 112.543 163.077 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.306 2.6 p . . . . . 0 N--CA 1.516 2.836 0 CA-C-O 118.021 -0.99 . . . . 0.0 112.728 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 3.3 m80 31.32 63.4 0.22 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 128.109 2.564 . . . . 0.0 115.411 175.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.85 158.45 13.04 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 121.551 -0.718 . . . . 0.0 112.742 -175.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.23 148.74 95.88 Favored Pre-proline 0 N--CA 1.476 0.853 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.17 171.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -49.68 -41.91 44.51 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.5 2.8 . . . . 0.0 116.544 -177.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.54 -41.68 92.8 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.59 1.086 . . . . 0.0 113.152 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.37 -49.4 77.75 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.239 0.615 . . . . 0.0 110.448 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -55.06 -48.65 73.19 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.115 0.966 . . . . 0.0 111.103 175.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.7 t -55.37 -47.93 75.04 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.903 0.774 . . . . 0.0 111.151 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.36 -56.05 27.08 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.578 -0.701 . . . . 0.0 112.862 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.535 HG23 ' CE2' ' B' ' 130' ' ' TYR . 2.6 p -64.56 -42.75 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 120.027 1.285 . . . . 0.0 111.804 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -77.09 -29.82 55.13 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.067 0.849 . . . . 0.0 111.356 -173.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.11 -34.01 65.9 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.417 1.008 . . . . 0.0 112.52 171.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -39.59 93.46 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.189 -0.944 . . . . 0.0 110.516 169.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -56.66 -45.74 81.47 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.442 0.697 . . . . 0.0 112.314 167.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.01 -27.06 43.96 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.855 1.217 . . . . 0.0 115.919 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -102.61 -6.81 22.37 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 118.693 1.246 . . . . 0.0 113.524 173.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.87 134.32 27.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 124.108 0.963 . . . . 0.0 111.819 -172.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -83.2 81.71 8.58 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 175.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 96.0 t -51.52 -37.58 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -167.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -70.17 -34.06 72.53 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.206 1.402 . . . . 0.0 114.399 174.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -98.75 -43.11 6.91 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.086 -1.009 . . . . 0.0 111.995 -173.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.35 -32.77 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 119.272 0.942 . . . . 0.0 110.69 163.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.88 -47.85 10.99 Favored Glycine 0 C--N 1.342 0.895 0 CA-C-N 119.566 1.076 . . . . 0.0 111.87 176.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.25 -42.41 55.86 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 117.869 0.835 . . . . 0.0 113.217 169.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.57 -29.69 27.61 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 117.736 -1.126 . . . . 0.0 112.903 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.63 -56.9 13.58 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 121.378 1.899 . . . . 0.0 109.641 168.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.24 -44.17 89.06 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 118.78 -0.628 . . . . 0.0 109.866 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -47.44 -60.23 5.38 Favored Glycine 0 N--CA 1.47 0.927 0 C-N-CA 125.194 1.378 . . . . 0.0 113.954 165.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -47.68 -45.52 28.34 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.486 1.515 . . . . 0.0 112.215 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.408 HD23 ' HG ' ' B' ' 32' ' ' LEU . 0.3 OUTLIER -63.68 -56.17 17.79 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.664 0.786 . . . . 0.0 110.663 174.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.408 ' HG ' HD23 ' B' ' 31' ' ' LEU . 92.9 mt -57.49 -36.2 71.21 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.862 0.865 . . . . 0.0 113.097 -174.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.424 HG13 HG11 ' B' ' 54' ' ' VAL . 34.6 m -74.34 -10.91 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -176.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -69.71 0.28 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 CA-C-N 121.018 1.735 . . . . 0.0 111.7 171.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 50.48 36.36 0.34 Allowed Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 126.089 1.756 . . . . 0.0 114.216 -165.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -77.6 -177.53 3.92 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.115 1.876 . . . . 0.0 110.779 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -48.69 -25.35 1.75 Allowed 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 175.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 81.3 p -67.77 -23.58 65.24 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 120.454 -1.403 . . . . 0.0 113.368 175.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -56.93 -21.59 31.17 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-O 118.326 -0.845 . . . . 0.0 112.715 169.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -58.09 -25.15 60.96 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 121.657 2.026 . . . . 0.0 113.52 171.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . 0.45 ' HA ' ' HD3' ' C' ' 92' ' ' ARG . 0.2 OUTLIER -88.71 5.66 42.25 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 173.468 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -48.82 -30.77 6.12 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 176.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.83 -30.63 71.7 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 57.8 m -80.43 -32.05 37.42 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.22 0.918 . . . . 0.0 111.982 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -68.6 -36.95 79.38 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.393 1.077 . . . . 0.0 111.155 171.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.94 -18.67 4.84 Favored Glycine 0 CA--C 1.539 1.556 0 O-C-N 119.978 -1.701 . . . . 0.0 114.184 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -144.53 125.82 14.75 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.907 1.683 . . . . 0.0 110.018 172.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 tt -165.36 -27.75 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.726 1.21 . . . . 0.0 113.311 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 2.3 m -54.53 -10.18 0.39 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 128.34 2.656 . . . . 0.0 117.099 -171.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.2 p -142.7 165.38 26.96 Favored Pre-proline 0 N--CA 1.476 0.871 0 C-N-CA 127.168 2.187 . . . . 0.0 109.475 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -56.7 -55.31 2.82 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 121.673 1.582 . . . . 0.0 112.168 173.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -61.0 -36.89 80.69 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.057 0.543 . . . . 0.0 111.53 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.22 -56.16 25.42 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.918 0.887 . . . . 0.0 111.855 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.424 HG11 HG13 ' B' ' 33' ' ' VAL . 0.3 OUTLIER -72.79 -41.29 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 120.315 1.416 . . . . 0.0 113.339 -176.624 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 23.8 mmt -66.66 -33.72 76.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.151 0.58 . . . . 0.0 111.801 -175.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.2 3.99 62.23 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.567 1.079 . . . . 0.0 114.971 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.475 ' OD1' HG23 ' B' ' 60' ' ' VAL . 8.2 t-20 -72.2 114.67 31.39 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-N 119.604 1.702 . . . . 0.0 112.118 -176.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -57.55 -32.47 94.4 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.072 1.848 . . . . 0.0 112.869 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -71.57 -36.68 70.99 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.475 HG23 ' OD1' ' B' ' 57' ' ' ASN . 55.5 t -67.17 -40.9 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-N 120.699 1.59 . . . . 0.0 110.746 170.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -63.3 -51.45 65.99 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.201 0.91 . . . . 0.0 111.169 174.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.13 -48.88 77.59 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.922 1.289 . . . . 0.0 113.226 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -62.52 -40.05 95.52 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.693 -1.254 . . . . 0.0 111.544 174.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.09 -46.07 33.56 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.491 1.52 . . . . 0.0 113.154 166.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -60.02 -41.14 91.52 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.172 0.986 . . . . 0.0 112.221 173.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -68.04 -50.27 56.29 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.155 0.888 . . . . 0.0 112.607 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 3.8 m -59.8 -40.66 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 CA-C-N 118.997 0.817 . . . . 0.0 112.006 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 tt -83.29 -30.81 27.28 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.418 -0.802 . . . . 0.0 112.036 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.57 -44.41 93.87 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 120.511 -1.368 . . . . 0.0 111.735 168.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.71 -45.0 94.79 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.974 -0.721 . . . . 0.0 112.853 169.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.443 ' CE2' ' CE1' ' B' ' 130' ' ' TYR . 88.4 t80 -53.09 -38.38 62.5 Favored 'General case' 0 CA--C 1.55 0.969 0 O-C-N 120.715 -1.24 . . . . 0.0 113.023 171.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 6.0 t -69.29 -38.81 78.48 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.458 1.103 . . . . 0.0 113.376 172.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -56.1 -32.49 64.22 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.815 0.734 . . . . 0.0 111.256 168.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.27 -67.38 2.24 Favored Glycine 0 C--N 1.342 0.868 0 C-N-CA 124.735 1.159 . . . . 0.0 112.299 164.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.05 -21.61 32.74 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.49 -25.62 35.87 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.369 1.468 . . . . 0.0 114.203 171.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -146.04 48.61 1.21 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.688 1.595 . . . . 0.0 111.953 -168.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 97.9 mt -62.36 -19.45 63.39 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 120.201 -1.562 . . . . 0.0 113.52 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -59.79 -15.18 18.52 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 166.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -94.14 -90.71 0.2 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.248 1.019 . . . . 0.0 111.267 176.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 mm? 52.85 18.03 0.98 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -174.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -148.81 -25.55 0.31 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 128.169 2.587 . . . . 0.0 112.924 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -116.72 -41.44 0.72 Allowed Glycine 0 N--CA 1.48 1.626 0 C-N-CA 125.163 1.363 . . . . 0.0 114.652 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.4 p -61.05 -34.1 74.35 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 119.059 1.429 . . . . 0.0 113.326 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -97.53 -7.14 32.03 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 124.102 0.961 . . . . 0.0 113.02 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.33 -40.94 83.43 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 120.92 1.691 . . . . 0.0 114.467 -169.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 12.1 p -60.96 -35.5 76.94 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.044 0.938 . . . . 0.0 112.103 171.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 18.7 mt -70.37 -48.59 55.59 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.251 172.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -55.21 -37.19 66.79 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 121.038 1.744 . . . . 0.0 112.772 176.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.44 -55.84 21.0 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.127 1.771 . . . . 0.0 112.773 168.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 54.8 tp -51.65 -52.49 47.47 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.236 -0.915 . . . . 0.0 110.295 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -74.84 25.5 0.09 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 129.123 2.969 . . . . 0.0 113.569 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . 0.568 ' HB2' HG21 ' C' ' 41' ' ' THR . 5.0 p -152.78 -67.3 0.16 Allowed 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 118.682 -0.675 . . . . 0.0 112.073 154.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -53.27 -20.07 3.85 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.671 2.388 . . . . 0.0 114.908 -177.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -121.15 -22.54 6.05 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.443 1.497 . . . . 0.0 114.34 169.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 17.2 mt -138.35 85.12 2.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.776 2.03 . . . . 0.0 108.085 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -56.99 -27.93 61.96 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -7.25 115.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 129.244 3.018 . . . . 0.0 115.195 169.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.65 140.6 96.49 Favored Pre-proline 0 CA--C 1.545 0.773 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -163.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . 0.43 ' HD3' ' CE2' ' B' ' 145' ' ' TYR . 52.5 Cg_endo -70.68 -12.43 31.14 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.435 2.757 . . . . 0.0 114.295 -174.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -45.08 -39.13 5.57 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.59 1.156 . . . . 0.0 111.906 159.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.05 -39.74 94.74 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.328 1.851 . . . . 0.0 111.55 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -68.06 -42.66 80.17 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.661 1.585 . . . . 0.0 111.231 177.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -55.67 -46.7 77.51 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.321 1.049 . . . . 0.0 110.77 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 18.3 mt -63.26 -49.99 71.92 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 117.313 -1.327 . . . . 0.0 112.835 175.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 tt -54.72 -48.58 72.35 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 120.275 1.398 . . . . 0.0 110.402 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' GLY . . . . . 0.479 ' HA3' HG13 ' B' ' 134' ' ' VAL . . . -49.85 -60.18 6.74 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 124.034 0.826 . . . . 0.0 114.298 172.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . 0.479 HD21 ' CG ' ' A' ' 103' ' ' HIS . 27.1 t-20 -53.1 -48.47 67.77 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.824 0.821 . . . . 0.0 111.039 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 2.9 t -58.9 -38.87 75.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 125.282 1.433 . . . . 0.0 113.564 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 51.6 tp -55.94 -51.96 65.82 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.655 -0.688 . . . . 0.0 109.782 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -52.66 -40.18 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 118.551 0.614 . . . . 0.0 111.293 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . 0.529 ' HA ' HG22 ' A' ' 107' ' ' VAL . 11.5 m -61.7 -49.79 75.04 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 178.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 5.1 p -63.96 -36.24 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 119.512 1.051 . . . . 0.0 111.87 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.439 HD13 ' CZ ' ' B' ' 130' ' ' TYR . 5.1 mt -58.39 -43.64 88.63 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 119.329 0.968 . . . . 0.0 111.755 174.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -68.98 -27.08 65.39 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -63.18 -56.99 12.09 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 120.172 1.351 . . . . 0.0 110.537 164.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -68.55 -25.81 65.1 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.986 0.915 . . . . 0.0 112.41 -167.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -132.35 41.87 3.17 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.111 1.764 . . . . 0.0 111.104 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -56.76 -17.87 22.71 Favored Glycine 0 N--CA 1.477 1.391 0 C-N-CA 125.757 1.646 . . . . 0.0 117.093 -176.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -84.97 -1.9 57.29 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 118.371 1.086 . . . . 0.0 113.025 173.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -136.03 4.65 3.0 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.923 2.089 . . . . 0.0 112.305 -168.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -78.73 30.56 0.2 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 126.407 1.883 . . . . 0.0 115.786 -166.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 7.5 p -40.0 148.26 0.32 Allowed Pre-proline 0 N--CA 1.487 1.387 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 -163.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -44.15 -45.96 11.65 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.683 2.255 . . . . 0.0 115.645 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.12 -29.26 6.67 Favored 'Trans proline' 0 C--N 1.354 0.853 0 CA-C-O 116.06 -1.725 . . . . 0.0 114.435 173.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.65 -37.77 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 CA-C-N 123.66 2.936 . . . . 0.0 112.525 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -69.19 -44.67 71.68 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.372 0.669 . . . . 0.0 111.732 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.46 93.79 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 170.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.73 -49.08 78.92 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.353 1.061 . . . . 0.0 110.034 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.535 ' CE2' HG23 ' B' ' 11' ' ' VAL . 0.3 OUTLIER -49.76 -54.69 17.51 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.916 0.886 . . . . 0.0 111.833 166.518 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.07 -37.51 71.94 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 118.247 -0.883 . . . . 0.0 112.824 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -62.88 -45.43 92.57 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 121.005 1.729 . . . . 0.0 112.516 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.67 -44.85 99.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 CA-C-N 118.786 0.721 . . . . 0.0 110.622 173.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.479 HG13 ' HA3' ' B' ' 107' ' ' GLY . 5.1 t -63.54 -47.65 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 125.628 1.571 . . . . 0.0 112.74 -177.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.55 91.24 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.605 1.162 . . . . 0.0 110.3 176.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.8 -53.77 28.21 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.977 162.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -45.59 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 119.268 1.534 . . . . 0.0 112.747 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.38 -45.18 85.09 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.657 -0.652 . . . . 0.0 111.198 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -61.64 -36.35 80.52 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.958 0.903 . . . . 0.0 112.293 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.12 -49.75 63.84 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.983 0.913 . . . . 0.0 111.406 176.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.58 -37.12 82.7 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.524 1.056 . . . . 0.0 111.601 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.64 -6.69 45.99 Favored 'General case' 0 CA--C 1.553 1.077 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 173.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -56.11 -42.35 76.67 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 119.832 -1.792 . . . . 0.0 112.7 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -63.46 -2.4 1.55 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.978 2.111 . . . . 0.0 114.718 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 145' ' ' TYR . . . . . 0.43 ' CE2' ' HD3' ' B' ' 100' ' ' PRO . 1.3 m-85 . . . . . 0 CA--C 1.552 1.045 0 C-N-CA 127.457 2.303 . . . . 0.0 111.686 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.507 2.398 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 39.3 mt -142.08 -167.29 2.43 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.598 1.559 . . . . 0.0 112.803 -170.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.36 164.05 30.4 Favored Pre-proline 0 N--CA 1.476 0.834 0 C-N-CA 127.874 2.469 . . . . 0.0 111.007 -178.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.1 -44.27 0.13 Allowed 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.397 2.065 . . . . 0.0 113.152 -176.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.15 -31.99 71.95 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.586 -0.696 . . . . 0.0 112.371 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.54 -45.54 84.95 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.745 0.702 . . . . 0.0 110.93 176.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -53.73 -49.56 67.87 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.96 0.904 . . . . 0.0 110.699 175.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 53.4 m -55.98 -45.72 78.89 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.398 0.679 . . . . 0.0 112.059 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -67.46 -35.59 79.48 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.616 -0.677 . . . . 0.0 112.488 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 91.9 t -65.24 -51.16 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 118.645 0.657 . . . . 0.0 111.146 172.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.42 -41.14 84.36 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.159 0.984 . . . . 0.0 111.0 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.56 -53.94 51.46 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.49 0.716 . . . . 0.0 111.959 173.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.58 -54.64 43.55 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.466 0.575 . . . . 0.0 111.298 176.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -62.25 -26.2 68.25 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.53 -41.46 99.2 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.784 1.183 . . . . 0.0 113.785 172.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -22.11 39.87 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 118.631 1.216 . . . . 0.0 112.796 170.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.28 -44.25 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 117.962 -1.018 . . . . 0.0 111.717 168.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 40.29 -128.78 2.89 Favored Glycine 0 CA--C 1.541 1.697 0 C-N-CA 125.179 1.371 . . . . 0.0 115.551 168.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.85 -24.61 67.82 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.236 -1.155 . . . . 0.0 114.018 175.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -67.45 -12.63 60.75 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.129 1.371 . . . . 0.0 113.265 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.563 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -46.66 -50.05 18.31 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.702 1.201 . . . . 0.0 114.106 -177.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.16 -39.85 97.5 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-O 119.404 -0.664 . . . . 0.0 113.471 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.92 -40.76 91.75 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.032 0.916 . . . . 0.0 111.42 175.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -66.7 -38.67 87.21 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.212 -0.93 . . . . 0.0 112.1 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.62 -50.48 66.67 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-N 119.02 0.827 . . . . 0.0 112.279 169.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.01 -51.39 67.94 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.109 0.964 . . . . 0.0 112.511 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.84 -43.61 90.77 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.339 0.656 . . . . 0.0 112.128 174.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.7 77.71 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 118.822 0.737 . . . . 0.0 112.831 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 mt -67.25 -53.61 28.42 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.619 0.768 . . . . 0.0 111.742 174.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -55.63 -45.39 77.59 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.919 0.866 . . . . 0.0 112.2 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . 0.483 HH12 ' HB ' ' C' ' 107' ' ' VAL . 10.7 mmm-85 -55.01 -48.35 73.48 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.261 1.425 . . . . 0.0 112.927 170.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 3.8 tmm? -60.85 -41.49 95.94 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.67 1.123 . . . . 0.0 111.85 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -59.38 -43.24 92.93 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.245 1.384 . . . . 0.0 113.71 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 30.5 mt -75.71 -46.89 28.59 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.113 0.565 . . . . 0.0 111.299 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 2.9 t -86.35 -7.77 58.21 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.02 1.728 . . . . 0.0 114.202 -170.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' PHE . . . . . 0.406 ' CG ' HD13 ' C' ' 100' ' ' LEU . 2.0 t80 -144.24 72.19 16.22 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 123.978 0.911 . . . . 0.0 109.876 174.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -44.25 -29.82 3.19 Favored 'Trans proline' 0 C--N 1.357 0.999 1 C-N-CA 125.488 4.125 . . . . 0.0 116.473 -170.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 2.8 m -44.88 -35.56 2.87 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 125.878 1.671 . . . . 0.0 114.588 170.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 38.5 p -67.16 -26.07 66.47 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 121.259 1.845 . . . . 0.0 113.417 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -62.38 -26.42 68.46 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.524 -1.36 . . . . 0.0 112.43 167.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . 0.568 HG21 ' HB2' ' B' ' 93' ' ' CYS . 0.4 OUTLIER -65.26 -17.3 64.39 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 170.589 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -0.62 6.89 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 174.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 t80 48.12 59.82 16.26 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 125.219 1.408 . . . . 0.0 112.266 -171.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -55.02 133.64 59.26 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.145 1.896 . . . . 0.0 111.425 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -73.8 -11.24 60.32 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 172.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.9 155.54 30.41 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.682 1.993 . . . . 0.0 113.812 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.04 -33.67 17.06 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -176.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 35.3 mt 45.52 36.3 2.44 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 126.422 1.889 . . . . 0.0 114.159 -173.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 2.5 t -87.09 29.76 0.81 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.104 1.762 . . . . 0.0 114.261 -169.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 22.8 t60 61.99 137.92 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 127.583 2.353 . . . . 0.0 114.034 -166.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.98 15.95 58.96 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 124.628 1.109 . . . . 0.0 115.356 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 49.3 m -53.12 123.19 11.05 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.323 1.849 . . . . 0.0 115.013 -166.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.59 -29.22 64.3 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.106 1.363 . . . . 0.0 114.168 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -76.72 -36.39 57.2 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.59 -0.693 . . . . 0.0 112.772 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 39.8 t -72.72 -39.4 60.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 O-C-N 121.073 -1.017 . . . . 0.0 111.542 -178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -61.95 -39.57 92.56 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 119.7 1.136 . . . . 0.0 112.909 172.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.92 -47.18 40.33 Favored Glycine 0 N--CA 1.472 1.05 0 C-N-CA 124.107 0.86 . . . . 0.0 112.851 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -59.66 -44.27 93.62 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.97 -0.723 . . . . 0.0 111.041 171.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.28 -51.81 39.96 Favored Glycine 0 C--N 1.34 0.801 0 C-N-CA 124.992 1.282 . . . . 0.0 113.331 173.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -55.72 -40.73 72.86 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.069 1.434 . . . . 0.0 113.049 171.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -46.1 69.85 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.505 1.048 . . . . 0.0 113.197 178.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 88.4 t -56.04 -46.13 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.669 1.188 . . . . 0.0 110.346 171.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 63' ' ' ALA . . . . . 0.563 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -62.81 -46.86 86.01 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 177.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -63.62 -36.93 85.43 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.31 0.959 . . . . 0.0 111.866 175.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.44 -34.23 77.8 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 169.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.31 -45.02 93.28 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 120.103 1.32 . . . . 0.0 112.112 165.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 61.3 m -54.65 -44.65 73.42 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 120.659 1.572 . . . . 0.0 111.685 170.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -60.15 -40.99 91.8 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.295 1.038 . . . . 0.0 112.298 173.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.49 83.46 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 118.95 -0.547 . . . . 0.0 111.248 172.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 86.0 t -58.86 -44.93 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.743 1.156 . . . . 0.0 112.015 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.07 -23.2 67.24 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.166 1.387 . . . . 0.0 113.991 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -137.06 34.73 2.58 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 125.198 1.399 . . . . 0.0 111.285 -171.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 2.6 p -63.58 -21.57 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 O-C-N 119.489 -2.007 . . . . 0.0 115.458 -159.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -106.09 5.21 29.96 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 125.763 1.625 . . . . 0.0 112.987 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -133.84 -2.08 2.98 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 128.004 2.521 . . . . 0.0 112.413 -168.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 15.2 ptt? -73.02 -9.95 0.16 Allowed Pre-proline 0 CA--C 1.545 0.77 0 CA-C-O 114.176 -2.821 . . . . 0.0 118.029 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -38.88 -42.28 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 C-N-CA 123.898 3.066 . . . . 0.0 116.34 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -101.81 -18.3 15.82 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 171.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.93 -23.99 64.23 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 120.603 1.547 . . . . 0.0 114.134 -176.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 39.5 mt -96.4 7.47 46.4 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.561 0.744 . . . . 0.0 112.154 169.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 35.2 t -57.85 -40.09 79.28 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 120.061 1.301 . . . . 0.0 113.095 -174.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.45 -33.06 67.55 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.192 -0.942 . . . . 0.0 112.621 173.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.51 -34.54 35.57 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.496 1.118 . . . . 0.0 111.531 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 40.1 t -59.57 -51.66 68.89 Favored 'General case' 0 C--N 1.34 0.167 0 O-C-N 122.051 -0.406 . . . . 0.0 111.104 166.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.08 -37.68 72.22 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.472 1.109 . . . . 0.0 111.6 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.01 -71.41 0.09 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 118.017 -0.992 . . . . 0.0 111.314 161.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -19.19 63.92 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 120.017 1.281 . . . . 0.0 113.676 -165.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.84 -67.83 0.84 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.3 1.84 . . . . 0.0 110.312 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -64.84 -15.13 61.44 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -175.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -130.72 153.1 49.35 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.615 1.966 . . . . 0.0 110.442 169.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 21.8 mt 57.37 -17.54 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 118.057 2.614 . . . . 0.0 118.057 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . 0.45 ' HD3' ' HA ' ' B' ' 41' ' ' PHE . 0.0 OUTLIER 52.64 22.34 2.19 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 127.864 2.466 . . . . 0.0 117.058 -171.543 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 5.2 t -35.21 106.04 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.52 1.928 . . . . 0.0 112.748 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.88 123.84 76.91 Favored Pre-proline 0 CA--C 1.544 0.744 0 CA-C-O 118.455 -0.783 . . . . 0.0 111.06 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -55.54 -19.84 24.76 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.861 2.374 . . . . 0.0 114.551 175.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 74.6 t -57.91 -34.64 49.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 119.721 -1.862 . . . . 0.0 111.018 169.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -57.13 -36.72 71.04 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 120.298 1.408 . . . . 0.0 113.943 172.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . 0.462 ' CD1' ' HB2' ' C' ' 133' ' ' SER . 3.3 t80 -56.72 -45.03 82.13 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -59.31 -33.86 71.62 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.488 -0.758 . . . . 0.0 111.554 -176.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 100' ' ' LEU . . . . . 0.426 ' H ' ' HG ' ' C' ' 100' ' ' LEU . 1.4 mt -69.61 -51.14 37.77 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 124.898 1.279 . . . . 0.0 110.069 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.29 -35.39 78.87 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 117.805 0.275 . . . . 0.0 110.756 176.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 66.4 m -66.53 -46.5 75.95 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.432 1.093 . . . . 0.0 113.254 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 103' ' ' HIS . . . . . 0.473 ' CG ' HD21 ' D' ' 108' ' ' ASN . 0.4 OUTLIER -49.25 -49.92 41.12 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.637 0.653 . . . . 0.0 109.857 162.708 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 73.9 m -58.8 -40.11 83.11 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 117.698 -1.144 . . . . 0.0 113.819 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 60.6 mt -59.48 -58.54 8.14 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 117.397 -1.287 . . . . 0.0 111.683 168.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 mt -45.07 -46.3 11.48 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.395 1.078 . . . . 0.0 110.957 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . 0.529 HG22 ' HA ' ' D' ' 112' ' ' CYS . 55.1 t -58.95 -52.44 60.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 174.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 87.1 m -63.97 -37.04 85.97 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.966 -0.459 . . . . 0.0 112.213 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 mt -60.42 -46.86 88.49 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.411 0.684 . . . . 0.0 109.36 172.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.52 70.68 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 177.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.75 -5.3 3.98 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 172.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -134.72 -26.67 1.36 Allowed 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 -176.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.4 mp -91.97 165.87 19.12 Favored Pre-proline 0 CA--C 1.556 1.205 0 C-N-CA 125.66 1.584 . . . . 0.0 113.339 -177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -58.4 -56.66 1.41 Allowed 'Trans proline' 0 C--N 1.363 1.307 0 C-N-CA 123.937 3.091 . . . . 0.0 115.24 -170.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.94 -50.95 2.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.338 1.455 . . . . 0.0 111.007 171.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 64.38 -22.31 0.07 Allowed 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -171.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -98.26 13.71 30.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.188 1.795 . . . . 0.0 114.89 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.5 163.87 13.61 Favored Pre-proline 0 N--CA 1.487 1.41 0 CA-C-N 120.349 1.431 . . . . 0.0 110.279 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -56.89 -50.17 12.32 Favored 'Trans proline' 0 C--N 1.351 0.695 0 CA-C-N 121.589 1.603 . . . . 0.0 111.592 169.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.6 87.09 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.018 0.927 . . . . 0.0 112.06 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 39.1 t -89.27 -41.42 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.273 -0.892 . . . . 0.0 112.581 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -72.38 -50.53 25.93 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.23 1.377 . . . . 0.0 112.282 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.34 83.41 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.319 0.963 . . . . 0.0 110.001 175.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 30.9 t -56.94 -58.68 7.12 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-O 118.4 -0.81 . . . . 0.0 113.181 174.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 59.0 mt -68.53 -33.3 73.88 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 120.483 1.492 . . . . 0.0 112.497 -174.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.17 -49.65 74.98 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 120.164 1.347 . . . . 0.0 112.051 170.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.14 -29.97 58.0 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -178.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -65.93 -54.94 19.95 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 125.19 1.396 . . . . 0.0 109.892 170.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -58.74 -40.75 84.73 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.214 0.915 . . . . 0.0 108.734 175.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.64 -41.34 66.66 Favored 'General case' 0 CA--C 1.55 0.978 0 O-C-N 119.391 -2.068 . . . . 0.0 114.23 170.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 28.4 p -71.87 -35.78 69.9 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 120.929 1.695 . . . . 0.0 113.672 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 56.3 t -56.7 -41.93 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 119.823 1.192 . . . . 0.0 109.627 167.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 133' ' ' SER . . . . . 0.462 ' HB2' ' CD1' ' C' ' 98' ' ' PHE . 3.6 t -59.33 -58.42 8.71 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.587 1.155 . . . . 0.0 111.671 169.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 55.3 m -49.65 -38.56 32.81 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.732 1.613 . . . . 0.0 112.612 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 76.4 t -83.93 -40.88 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 124.491 1.116 . . . . 0.0 112.303 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -26.35 60.48 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.533 1.515 . . . . 0.0 112.244 164.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 4.9 t -105.9 21.39 17.38 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.717 1.607 . . . . 0.0 112.591 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 27.1 m . . . . . 0 CA--C 1.542 0.64 0 O-C-N 120.75 -1.219 . . . . 0.0 112.483 163.098 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.303 2.6 p . . . . . 0 N--CA 1.519 2.985 0 CA-C-O 117.985 -1.007 . . . . 0.0 112.711 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 3.3 m80 31.35 63.31 0.22 Allowed 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 128.082 2.553 . . . . 0.0 115.375 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 158.38 13.04 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 121.567 -0.708 . . . . 0.0 112.78 -175.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.36 148.62 95.62 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.121 171.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -49.54 -41.87 43.5 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 123.399 2.733 . . . . 0.0 116.625 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.6 -41.73 92.44 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.714 1.143 . . . . 0.0 113.152 174.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.21 -49.59 77.03 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.408 0.683 . . . . 0.0 110.385 172.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -54.78 -48.9 72.12 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.063 0.945 . . . . 0.0 111.176 175.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -55.13 -48.05 74.19 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.935 0.789 . . . . 0.0 111.202 175.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.29 -56.04 27.25 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.451 -0.78 . . . . 0.0 112.93 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 11' ' ' VAL . . . . . 0.543 HG23 ' CE2' ' D' ' 130' ' ' TYR . 2.6 p -64.61 -42.66 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 119.973 1.26 . . . . 0.0 111.812 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -77.29 -29.75 53.93 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.016 0.825 . . . . 0.0 111.251 -173.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.17 -33.91 65.71 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.548 1.067 . . . . 0.0 112.439 171.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -39.19 92.23 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.167 -0.958 . . . . 0.0 110.664 169.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -56.81 -45.65 82.12 Favored 'General case' 0 C--O 1.21 -0.978 0 C-N-CA 123.489 0.715 . . . . 0.0 112.52 166.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.83 -27.37 43.66 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 124.829 1.204 . . . . 0.0 115.949 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -102.45 -6.97 22.34 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.671 1.236 . . . . 0.0 113.553 173.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.75 134.17 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 124.174 0.989 . . . . 0.0 111.852 -172.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -83.11 81.71 8.57 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 96.3 t -51.5 -37.56 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 119.766 1.166 . . . . 0.0 114.087 -167.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -70.27 -34.11 72.41 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.07 1.348 . . . . 0.0 114.347 174.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -98.61 -43.01 7.0 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.135 -0.978 . . . . 0.0 112.223 -173.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.44 -32.83 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 121.241 -0.912 . . . . 0.0 110.755 163.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.71 -48.11 10.88 Favored Glycine 0 C--N 1.344 1.006 0 CA-C-N 119.585 1.084 . . . . 0.0 111.857 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.01 -42.57 54.54 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 117.899 0.849 . . . . 0.0 113.127 169.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.54 -29.44 27.87 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-O 117.783 -1.103 . . . . 0.0 112.839 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.93 -56.8 14.01 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 121.401 1.909 . . . . 0.0 109.355 168.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.42 -44.09 88.49 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 118.813 -0.613 . . . . 0.0 109.808 -176.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -47.53 -60.17 5.47 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 125.055 1.312 . . . . 0.0 113.965 165.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -47.7 -45.45 28.5 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.496 1.518 . . . . 0.0 112.146 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . 0.421 HD23 ' HG ' ' D' ' 32' ' ' LEU . 0.3 OUTLIER -63.87 -56.14 17.57 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.724 0.809 . . . . 0.0 110.579 174.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . 0.421 ' HG ' HD23 ' D' ' 31' ' ' LEU . 93.4 mt -57.52 -36.04 71.06 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -175.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' VAL . . . . . 0.429 HG13 HG11 ' D' ' 54' ' ' VAL . 34.6 m -74.3 -10.89 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 116.172 1.916 . . . . 0.0 116.172 -177.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.66 0.22 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 120.953 1.706 . . . . 0.0 111.72 171.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 50.56 36.29 0.34 Allowed Pre-proline 0 CA--C 1.556 1.175 0 C-N-CA 125.976 1.71 . . . . 0.0 114.291 -165.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -77.51 -177.63 3.99 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.184 1.923 . . . . 0.0 110.862 -176.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -48.7 -25.32 1.74 Allowed 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 175.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 81.0 p -67.66 -23.51 65.33 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 120.443 -1.41 . . . . 0.0 113.324 175.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -56.76 -21.57 29.34 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 118.279 -0.867 . . . . 0.0 112.911 169.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -58.17 -25.34 61.41 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.631 2.014 . . . . 0.0 113.649 171.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 41' ' ' PHE . . . . . 0.435 ' HA ' ' HD3' ' A' ' 92' ' ' ARG . 0.2 OUTLIER -88.57 5.59 42.07 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 173.409 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -48.77 -30.91 6.19 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 176.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.69 -30.65 71.73 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 58.0 m -80.56 -31.99 36.73 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 119.218 0.917 . . . . 0.0 111.793 174.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -68.75 -36.82 78.84 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.344 1.058 . . . . 0.0 111.081 171.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.9 -18.57 4.88 Favored Glycine 0 CA--C 1.539 1.543 0 O-C-N 120.067 -1.646 . . . . 0.0 114.165 176.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -144.51 126.48 15.43 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.906 1.682 . . . . 0.0 110.048 171.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 tt -165.92 -27.79 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.907 1.283 . . . . 0.0 113.222 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 2.3 m -54.56 -10.02 0.38 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 128.278 2.631 . . . . 0.0 117.159 -171.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 2.2 p -142.87 165.26 27.38 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 127.242 2.217 . . . . 0.0 109.469 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.6 -55.4 2.78 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 121.74 1.627 . . . . 0.0 112.13 173.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -60.93 -36.9 80.53 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.169 0.588 . . . . 0.0 111.593 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.13 -56.28 23.8 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.885 0.874 . . . . 0.0 111.821 174.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . 0.429 HG11 HG13 ' D' ' 33' ' ' VAL . 0.3 OUTLIER -72.83 -41.24 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 120.159 1.345 . . . . 0.0 113.333 -176.573 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 23.8 mmt -66.6 -33.81 76.5 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.149 0.58 . . . . 0.0 111.776 -175.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.08 3.9 62.4 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.665 1.126 . . . . 0.0 115.009 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 57' ' ' ASN . . . . . 0.481 ' OD1' HG23 ' D' ' 60' ' ' VAL . 8.2 t-20 -72.47 114.92 34.2 Favored Pre-proline 0 CA--C 1.542 0.637 0 CA-C-N 119.589 1.694 . . . . 0.0 112.037 -175.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -57.36 -33.18 95.76 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.165 1.91 . . . . 0.0 112.797 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -71.08 -36.53 72.27 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 60' ' ' VAL . . . . . 0.481 HG23 ' OD1' ' D' ' 57' ' ' ASN . 55.8 t -67.45 -40.69 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 CA-C-N 120.648 1.567 . . . . 0.0 110.68 170.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -63.38 -51.49 65.63 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.269 0.941 . . . . 0.0 111.107 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.1 -48.8 77.72 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.898 1.279 . . . . 0.0 113.361 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -62.78 -39.69 94.97 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.756 -1.215 . . . . 0.0 111.626 174.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.37 -46.01 36.05 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.408 1.48 . . . . 0.0 113.128 166.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -59.81 -41.23 90.8 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.255 1.028 . . . . 0.0 112.385 173.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -67.92 -50.34 56.64 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.033 0.833 . . . . 0.0 112.599 178.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 3.8 m -59.84 -40.64 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 CA-C-N 119.013 0.824 . . . . 0.0 112.081 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 tt -83.39 -30.81 27.07 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.402 -0.811 . . . . 0.0 111.901 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.55 -44.38 93.84 Favored Glycine 0 CA--C 1.533 1.191 0 O-C-N 120.45 -1.406 . . . . 0.0 111.773 168.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.8 95.17 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 169.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . 0.439 ' CE2' ' CE1' ' D' ' 130' ' ' TYR . 88.5 t80 -53.32 -38.37 63.14 Favored 'General case' 0 CA--C 1.549 0.917 0 O-C-N 120.771 -1.205 . . . . 0.0 112.877 171.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 6.0 t -69.33 -38.69 78.31 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.404 1.082 . . . . 0.0 113.387 172.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -56.18 -32.45 64.35 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.836 0.743 . . . . 0.0 111.212 168.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.21 -67.44 2.21 Favored Glycine 0 C--N 1.34 0.756 0 C-N-CA 124.789 1.185 . . . . 0.0 112.325 164.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.09 -21.65 33.6 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.41 -25.6 36.06 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.381 1.472 . . . . 0.0 114.295 171.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -145.99 48.74 1.21 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.68 1.592 . . . . 0.0 111.956 -168.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 98.2 mt -62.57 -19.43 63.68 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 120.125 -1.61 . . . . 0.0 113.366 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -59.82 -15.13 18.4 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.458 1.503 . . . . 0.0 115.043 166.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -94.26 -90.69 0.21 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.091 0.956 . . . . 0.0 111.203 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 mm? 52.74 18.16 0.97 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -174.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -148.81 -25.69 0.31 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 128.131 2.572 . . . . 0.0 112.801 -176.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -116.61 -41.46 0.73 Allowed Glycine 0 N--CA 1.48 1.601 0 C-N-CA 125.231 1.396 . . . . 0.0 114.67 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.3 p -61.1 -34.18 74.53 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 119.08 1.44 . . . . 0.0 113.296 175.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -97.47 -7.12 32.26 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 124.164 0.986 . . . . 0.0 112.972 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.48 -40.81 83.78 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 121.046 1.748 . . . . 0.0 114.433 -169.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 11.9 p -61.08 -35.41 76.91 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.121 0.968 . . . . 0.0 112.022 171.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 18.8 mt -70.55 -48.44 55.38 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-O 117.851 -1.071 . . . . 0.0 110.294 172.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -55.12 -37.36 66.79 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 121.104 1.775 . . . . 0.0 112.726 176.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.49 -55.57 23.04 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.12 1.768 . . . . 0.0 112.883 168.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 54.6 tp -51.84 -52.54 48.67 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.234 -0.916 . . . . 0.0 110.177 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -74.74 25.5 0.09 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 129.062 2.945 . . . . 0.0 113.567 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 93' ' ' CYS . . . . . 0.542 ' HB2' HG21 ' A' ' 41' ' ' THR . 4.8 p -152.86 -67.3 0.16 Allowed 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 118.685 -0.674 . . . . 0.0 112.028 154.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -53.35 -20.16 4.14 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 127.715 2.406 . . . . 0.0 114.805 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -121.04 -22.73 6.04 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.404 1.481 . . . . 0.0 114.279 169.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 16.8 mt -138.22 85.07 2.07 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.841 2.057 . . . . 0.0 108.243 -177.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -56.89 -27.99 61.34 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -7.26 115.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 129.299 3.04 . . . . 0.0 115.158 169.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.62 140.58 96.52 Favored Pre-proline 0 CA--C 1.546 0.793 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -163.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 100' ' ' PRO . . . . . 0.434 ' HD3' ' CE2' ' D' ' 145' ' ' TYR . 52.6 Cg_endo -70.71 -12.27 30.84 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.372 2.714 . . . . 0.0 114.305 -174.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -45.12 -39.24 5.79 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.668 1.187 . . . . 0.0 111.781 159.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -63.99 -39.59 94.46 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.245 1.818 . . . . 0.0 111.588 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -68.21 -42.67 79.49 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.865 1.666 . . . . 0.0 111.142 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -55.7 -46.7 77.61 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.308 1.043 . . . . 0.0 110.796 174.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 18.3 mt -63.18 -49.92 72.37 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 117.327 -1.32 . . . . 0.0 112.928 175.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 tt -54.86 -48.16 73.28 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 120.293 1.406 . . . . 0.0 110.398 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 107' ' ' GLY . . . . . 0.489 ' HA3' HG13 ' D' ' 134' ' ' VAL . . . -50.61 -59.82 7.5 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 123.93 0.776 . . . . 0.0 114.06 172.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 108' ' ' ASN . . . . . 0.473 HD21 ' CG ' ' C' ' 103' ' ' HIS . 27.2 t-20 -53.07 -48.46 67.7 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 122.006 0.908 . . . . 0.0 110.963 178.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.12 -38.48 74.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 125.343 1.457 . . . . 0.0 113.572 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 50.7 tp -56.39 -51.86 66.75 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.377 0.671 . . . . 0.0 109.642 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -52.62 -40.24 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 118.551 0.614 . . . . 0.0 111.267 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 112' ' ' CYS . . . . . 0.529 ' HA ' HG22 ' C' ' 107' ' ' VAL . 11.7 m -61.67 -50.02 74.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 178.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 5.3 p -63.6 -36.23 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 119.508 1.049 . . . . 0.0 112.067 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 114' ' ' LEU . . . . . 0.432 HD13 ' CZ ' ' D' ' 130' ' ' TYR . 5.1 mt -58.53 -43.51 89.24 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.056 0.844 . . . . 0.0 111.821 174.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.09 -26.97 65.2 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 173.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -63.2 -57.05 11.8 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 120.203 1.365 . . . . 0.0 110.5 164.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -68.52 -25.85 65.15 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.005 0.922 . . . . 0.0 112.432 -167.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -132.23 41.72 3.2 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.199 1.8 . . . . 0.0 111.208 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -56.69 -18.0 22.68 Favored Glycine 0 N--CA 1.477 1.43 0 C-N-CA 125.775 1.655 . . . . 0.0 117.017 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -84.79 -1.97 57.07 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 118.372 1.086 . . . . 0.0 113.084 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -136.13 4.68 2.98 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.857 2.063 . . . . 0.0 112.216 -168.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -78.62 30.55 0.19 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 126.47 1.908 . . . . 0.0 115.794 -166.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 7.4 p -40.15 148.37 0.33 Allowed Pre-proline 0 N--CA 1.486 1.353 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -163.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -44.08 -46.09 11.41 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.698 2.265 . . . . 0.0 115.664 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.94 -29.36 6.88 Favored 'Trans proline' 0 C--N 1.353 0.812 0 CA-C-O 116.162 -1.683 . . . . 0.0 114.463 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.69 -37.85 80.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 CA-C-N 123.663 2.938 . . . . 0.0 112.567 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -69.07 -44.91 71.62 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.363 0.665 . . . . 0.0 111.773 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.64 92.9 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 169.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.38 77.46 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.146 0.978 . . . . 0.0 109.988 176.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 130' ' ' TYR . . . . . 0.543 ' CE2' HG23 ' D' ' 11' ' ' VAL . 0.3 OUTLIER -49.5 -54.71 16.37 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.925 0.89 . . . . 0.0 111.735 166.738 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -37.48 71.89 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 118.318 -0.848 . . . . 0.0 112.737 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -63.2 -45.26 92.56 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.951 1.705 . . . . 0.0 112.35 175.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.79 -44.72 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 CA-C-N 118.853 0.752 . . . . 0.0 110.639 173.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 134' ' ' VAL . . . . . 0.489 HG13 ' HA3' ' D' ' 107' ' ' GLY . 5.1 t -63.61 -47.58 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.577 1.551 . . . . 0.0 112.658 -177.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.43 91.2 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.557 1.143 . . . . 0.0 110.405 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.79 -53.91 27.53 Favored Glycine 0 C--N 1.343 0.958 0 CA-C-O 119.12 -0.822 . . . . 0.0 113.067 162.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -56.9 -45.75 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 119.267 1.533 . . . . 0.0 112.78 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.28 -45.1 85.79 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.618 -0.676 . . . . 0.0 111.272 177.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -61.86 -36.07 80.16 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.981 0.913 . . . . 0.0 112.237 174.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.34 -49.69 63.04 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 124.064 0.946 . . . . 0.0 111.335 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.61 -36.98 82.28 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.645 1.112 . . . . 0.0 111.662 174.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.72 -6.65 46.0 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 114.989 1.478 . . . . 0.0 114.989 173.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -56.08 -42.41 76.67 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 119.909 -1.745 . . . . 0.0 112.659 -177.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -63.46 -2.29 1.51 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.931 2.092 . . . . 0.0 114.724 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 145' ' ' TYR . . . . . 0.434 ' CE2' ' HD3' ' D' ' 100' ' ' PRO . 1.3 m-85 -100.0 6.68 45.08 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 127.508 2.323 . . . . 0.0 111.51 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.365 0 C-N-CA 127.653 2.381 . . . . 0.0 114.437 163.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 24.3 m . . . . . 0 N--CA 1.507 2.377 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.461 HD13 HG22 ' A' ' 73' ' ' VAL . 5.1 mp -140.56 -171.11 3.15 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 119.974 -1.704 . . . . 0.0 110.749 172.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 p -112.76 141.3 25.17 Favored Pre-proline 0 N--CA 1.476 0.853 0 C-N-CA 126.188 1.795 . . . . 0.0 112.033 -176.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.25 -48.74 20.2 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 124.049 3.166 . . . . 0.0 116.126 -169.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.2 -40.0 92.34 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 122.155 -0.34 . . . . 0.0 111.5 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.98 -39.87 95.09 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.79 0.436 . . . . 0.0 111.062 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -55.91 -49.9 72.18 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.628 0.649 . . . . 0.0 110.991 171.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.7 m -59.37 -44.66 92.69 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.63 0.772 . . . . 0.0 111.79 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -62.18 -41.79 98.66 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.56 -0.713 . . . . 0.0 111.975 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.2 t -61.15 -49.16 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.841 1.256 . . . . 0.0 111.463 173.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -58.44 -46.45 86.52 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 118.912 0.778 . . . . 0.0 111.637 175.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.91 -52.6 64.83 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.467 0.707 . . . . 0.0 111.514 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.88 -51.88 67.33 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.307 0.643 . . . . 0.0 111.954 177.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -64.01 -28.03 69.52 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.501 -0.749 . . . . 0.0 112.994 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.05 -42.45 99.59 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.497 1.046 . . . . 0.0 113.256 170.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -70.25 -35.08 73.58 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.664 1.232 . . . . 0.0 111.365 174.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.46 -50.47 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.043 0.937 . . . . 0.0 111.595 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.55 -139.15 9.64 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.02 0.819 . . . . 0.0 114.23 178.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.11 -22.44 50.86 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -69.94 -6.57 33.95 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 174.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.68 -47.15 29.71 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.416 1.007 . . . . 0.0 113.158 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.33 -37.89 95.56 Favored Glycine 0 N--CA 1.471 0.989 0 O-C-N 121.979 -0.45 . . . . 0.0 113.579 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -63.84 -46.15 86.36 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.953 0.901 . . . . 0.0 110.76 174.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -68.6 -36.86 79.25 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.35 -51.52 58.29 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 118.849 0.749 . . . . 0.0 112.164 170.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.69 -50.47 68.19 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.522 0.729 . . . . 0.0 111.617 175.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -67.78 -35.62 79.0 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -177.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.85 83.44 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.098 0.863 . . . . 0.0 112.674 172.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.4 mt -64.37 -51.45 63.22 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.698 0.681 . . . . 0.0 111.534 173.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -57.28 -46.05 83.5 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.026 0.83 . . . . 0.0 112.257 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.5 ttm105 -58.81 -47.31 85.23 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 125.075 1.35 . . . . 0.0 111.64 174.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 61.8 ttp -53.49 -46.33 69.96 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.515 1.052 . . . . 0.0 112.922 173.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -61.34 -17.47 54.01 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 174.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.1 mt -100.63 -46.53 5.15 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.387 1.075 . . . . 0.0 110.299 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.2 m -68.07 -29.2 68.1 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 126.926 2.09 . . . . 0.0 114.668 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -135.15 76.12 58.4 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 125.861 1.664 . . . . 0.0 109.826 -177.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -46.64 -25.6 3.7 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 124.74 3.626 . . . . 0.0 115.476 -178.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.591 ' O ' HG22 ' A' ' 41' ' ' THR . 3.9 m -46.28 -38.74 8.99 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.848 1.659 . . . . 0.0 114.508 170.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.8 p -65.12 -31.42 72.61 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 119.695 -1.878 . . . . 0.0 112.349 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -58.57 -34.58 71.21 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.983 1.313 . . . . 0.0 112.344 173.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.596 HG21 ' SG ' ' D' ' 93' ' ' CYS . 0.6 OUTLIER -65.87 -19.06 65.74 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 179.147 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.583 ' CE2' HG22 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -67.4 -9.52 42.38 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 121.212 -0.93 . . . . 0.0 113.237 175.781 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 46.71 64.36 8.49 Favored Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 124.927 1.291 . . . . 0.0 112.352 -168.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -47.81 145.02 10.44 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 123.869 3.046 . . . . 0.0 114.861 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.46 4.45 4.79 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 -175.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.88 -175.94 3.95 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.752 1.621 . . . . 0.0 113.406 -168.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -122.67 142.8 50.28 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.88 1.272 . . . . 0.0 111.179 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -145.62 31.29 1.08 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.923 1.289 . . . . 0.0 113.114 -165.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.5 t -73.81 38.4 0.1 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.609 1.964 . . . . 0.0 114.347 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.1 m170 63.24 147.13 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 129.0 2.92 . . . . 0.0 114.385 -170.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.91 17.5 51.12 Favored Glycine 0 CA--C 1.543 1.813 0 C-N-CA 124.522 1.058 . . . . 0.0 115.551 -176.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -62.31 133.01 54.53 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.775 1.23 . . . . 0.0 113.562 -170.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.69 -27.47 67.89 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.107 1.363 . . . . 0.0 113.266 171.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -82.94 -40.72 19.74 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.437 0.695 . . . . 0.0 111.471 177.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.92 -41.69 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 O-C-N 121.489 -0.757 . . . . 0.0 111.962 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -62.12 -38.86 90.54 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 119.783 1.174 . . . . 0.0 112.696 175.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.63 -53.49 27.73 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 124.174 0.893 . . . . 0.0 111.936 176.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -56.2 -44.68 79.72 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 117.661 0.731 . . . . 0.0 111.56 174.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.52 -48.68 64.02 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.281 0.943 . . . . 0.0 114.123 172.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -56.18 -42.93 77.87 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 118.55 1.175 . . . . 0.0 112.926 170.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.46 -42.02 68.68 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.063 0.847 . . . . 0.0 111.157 -178.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.8 t -55.4 -49.07 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.723 1.209 . . . . 0.0 110.437 169.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.28 86.94 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -63.77 -39.16 93.59 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.127 0.876 . . . . 0.0 112.253 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.05 81.68 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.421 -0.799 . . . . 0.0 112.626 169.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.94 -42.88 94.29 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.38 -0.825 . . . . 0.0 111.635 170.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.9 m -57.39 -44.38 84.44 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.851 1.205 . . . . 0.0 111.96 171.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -58.47 -47.66 83.33 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.804 0.842 . . . . 0.0 110.933 171.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.21 -32.08 70.77 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 174.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.2 t -71.89 -48.79 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 120.125 1.33 . . . . 0.0 110.679 171.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.47 -27.8 67.83 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.217 1.407 . . . . 0.0 113.588 -177.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -124.07 28.03 6.93 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 125.572 1.549 . . . . 0.0 112.105 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.461 HG22 HD13 ' A' ' 2' ' ' LEU . 14.3 p -50.32 -37.21 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 115.17 1.544 . . . . 0.0 115.17 -171.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -103.34 9.48 37.92 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -142.03 33.8 1.55 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.003 2.121 . . . . 0.0 111.122 -171.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.0 ptt? -116.49 55.75 1.39 Allowed Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 125.711 1.605 . . . . 0.0 113.178 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -65.15 -37.25 33.1 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 122.028 1.818 . . . . 0.0 112.269 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -142.76 19.3 2.0 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.532 1.533 . . . . 0.0 113.08 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.81 -10.36 36.98 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 120.131 -1.605 . . . . 0.0 114.548 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.1 mt -113.41 17.67 18.28 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.943 1.697 . . . . 0.0 111.55 171.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.0 t -56.83 -38.74 73.05 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.601 1.16 . . . . 0.0 112.746 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.15 -28.8 59.38 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 173.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mt -84.0 -41.94 16.74 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.007 0.923 . . . . 0.0 111.395 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.4 t -54.81 -42.55 71.98 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 122.682 0.393 . . . . 0.0 111.08 166.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -63.07 -45.81 90.4 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.004 1.322 . . . . 0.0 112.315 174.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.91 -44.82 70.86 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.885 0.766 . . . . 0.0 111.364 173.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -67.51 -63.27 1.09 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.458 0.572 . . . . 0.0 110.888 174.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.06 -30.92 71.97 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -169.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -103.18 2.45 34.5 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.165 0.986 . . . . 0.0 113.159 -171.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -149.76 -32.68 0.2 Allowed 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -174.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 97.2 mt -124.92 -117.91 0.28 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.063 1.745 . . . . 0.0 107.872 168.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 155.64 48.03 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.263 0 C-N-CA 130.495 3.518 . . . . 0.0 113.206 163.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.583 HG22 ' CE2' ' A' ' 42' ' ' TYR . 23.9 t -68.65 140.17 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 O-C-N 120.584 -1.322 . . . . 0.0 112.692 -169.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.71 143.03 51.58 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 126.365 1.866 . . . . 0.0 113.629 175.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.63 -22.14 65.74 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.951 2.434 . . . . 0.0 113.251 165.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 36.9 t -52.38 -46.57 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 O-C-N 120.776 -1.203 . . . . 0.0 110.756 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -60.99 -40.97 95.55 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.896 0.771 . . . . 0.0 112.189 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 3.3 t80 -54.06 -46.78 72.06 Favored 'General case' 0 C--N 1.343 0.287 0 O-C-N 121.539 -0.725 . . . . 0.0 111.264 173.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -56.67 -34.8 67.71 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 118.73 0.695 . . . . 0.0 111.741 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.0 mt -63.77 -52.05 62.1 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.149 0.979 . . . . 0.0 110.678 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -41.44 92.94 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.305 1.042 . . . . 0.0 111.99 174.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.0 t -54.3 -52.17 62.3 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.805 1.242 . . . . 0.0 111.927 173.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -58.3 -42.39 86.54 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.197 -0.939 . . . . 0.0 111.246 173.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 87.6 m -70.16 -9.34 55.38 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 175.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.5 mt -92.13 -47.81 7.05 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.139 1.776 . . . . 0.0 111.767 168.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 54.5 mt -51.22 -46.85 62.38 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.611 1.165 . . . . 0.0 111.128 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.475 HG23 ' HA ' ' B' ' 112' ' ' CYS . 7.1 p -52.55 -44.8 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 169.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -64.1 -43.18 96.16 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 123.314 0.646 . . . . 0.0 111.029 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.4 -45.92 88.82 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.41 -32.19 64.6 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.95 -17.61 62.06 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 175.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -118.99 -30.41 5.02 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -174.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.6 mp -78.34 175.91 4.17 Favored Pre-proline 0 CA--C 1.554 1.132 0 C-N-CA 124.55 1.14 . . . . 0.0 110.835 172.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.49 -154.46 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.653 3.569 . . . . 0.0 113.316 156.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.39 57.95 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.779 1.632 . . . . 0.0 114.488 174.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -42.47 -27.61 0.17 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 127.772 2.429 . . . . 0.0 114.249 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -69.8 6.89 1.02 Allowed 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 116.318 1.97 . . . . 0.0 116.318 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.76 160.48 2.82 Favored Pre-proline 0 N--CA 1.49 1.571 0 CA-C-N 121.281 1.855 . . . . 0.0 112.523 175.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -54.45 -50.3 13.92 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.154 1.902 . . . . 0.0 112.491 169.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.49 -54.43 43.43 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.58 0.352 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 46.0 t -75.07 -40.72 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 120.999 -1.063 . . . . 0.0 111.994 -172.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -74.7 -47.5 31.16 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 120.155 1.343 . . . . 0.0 112.709 178.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.63 -47.43 84.44 Favored 'General case' 0 C--N 1.345 0.413 0 CA-C-N 120.1 1.318 . . . . 0.0 110.718 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 99.5 p -60.57 -48.22 82.75 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 117.324 -1.322 . . . . 0.0 113.453 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.2 mt -67.42 -43.83 80.29 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 120.798 1.635 . . . . 0.0 111.886 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.63 -51.09 71.29 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.402 1.001 . . . . 0.0 112.014 177.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -29.27 64.44 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 178.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -62.97 -53.78 48.62 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 119.586 1.085 . . . . 0.0 110.786 170.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.7 mt -59.13 -39.62 82.91 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.688 176.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.23 -42.98 74.1 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 120.796 1.635 . . . . 0.0 113.179 168.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.0 t -64.15 -43.45 95.15 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.11 -0.994 . . . . 0.0 113.096 172.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.5 t -55.07 -43.84 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 O-C-N 121.279 -0.888 . . . . 0.0 110.317 171.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.4 t -57.28 -52.19 66.34 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.782 1.233 . . . . 0.0 112.754 172.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 58.0 m -51.86 -46.31 64.4 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.078 0.951 . . . . 0.0 111.528 175.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.28 -41.2 80.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 O-C-N 121.413 -0.805 . . . . 0.0 112.283 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.91 -15.5 22.14 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.61 1.164 . . . . 0.0 113.737 168.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 20.3 m -101.28 -11.5 19.42 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.87 1.668 . . . . 0.0 111.771 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 N--CA 1.471 0.584 0 C-N-CA 124.972 1.309 . . . . 0.0 112.997 -176.892 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.33 3.3 p . . . . . 0 N--CA 1.513 2.723 0 CA-C-O 116.93 -1.509 . . . . 0.0 113.344 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 26.84 62.06 0.09 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 127.392 2.277 . . . . 0.0 115.931 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 146.99 37.11 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 120.966 -1.084 . . . . 0.0 109.808 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.67 157.98 62.87 Favored Pre-proline 0 N--CA 1.481 1.103 0 CA-C-O 118.667 -0.682 . . . . 0.0 109.873 171.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -52.9 -36.92 76.64 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.595 2.197 . . . . 0.0 114.68 172.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -75.92 -37.86 58.28 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.154 0.888 . . . . 0.0 112.05 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -63.2 -49.55 73.79 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 118.693 -0.67 . . . . 0.0 111.155 171.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -54.23 -49.18 70.07 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.164 1.385 . . . . 0.0 111.072 174.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.6 t -54.2 -46.98 72.56 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.827 0.74 . . . . 0.0 111.194 175.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.54 74.43 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 p -63.93 -52.9 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 CA-C-N 120.13 1.332 . . . . 0.0 111.716 176.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -73.84 -31.0 62.99 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.138 -0.976 . . . . 0.0 112.891 -171.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.86 -37.16 81.47 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 120.511 1.505 . . . . 0.0 112.073 172.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -40.54 95.45 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.596 0.634 . . . . 0.0 110.776 168.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -54.46 -45.83 73.21 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.142 0.883 . . . . 0.0 111.323 171.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.6 -25.97 56.36 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 125.721 1.629 . . . . 0.0 115.578 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -102.05 -12.75 17.89 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.786 1.293 . . . . 0.0 113.581 172.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.89 137.49 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 124.518 1.127 . . . . 0.0 111.977 -173.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -87.41 82.2 7.61 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.621 0.769 . . . . 0.0 108.94 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 61.5 t -53.04 -39.43 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 124.123 0.969 . . . . 0.0 113.237 -169.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.21 -6.17 50.15 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -122.17 -51.88 1.98 Allowed 'General case' 0 N--CA 1.473 0.704 0 O-C-N 120.365 -1.46 . . . . 0.0 110.769 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.75 -29.27 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 119.431 1.014 . . . . 0.0 112.351 170.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.81 -42.22 46.8 Favored Glycine 0 N--CA 1.472 1.053 0 CA-C-N 119.48 1.036 . . . . 0.0 112.303 173.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.89 -41.07 99.61 Favored Glycine 0 N--CA 1.47 0.953 0 CA-C-N 117.812 0.806 . . . . 0.0 112.499 171.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -64.21 -39.5 94.11 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 125.073 1.349 . . . . 0.0 111.823 171.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.49 -53.69 48.08 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 120.145 1.339 . . . . 0.0 110.428 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.05 -42.33 99.08 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.083 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -52.5 -62.94 5.34 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-N 119.494 1.043 . . . . 0.0 112.832 170.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 ttt-85 -47.84 -36.78 12.5 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 126.016 1.726 . . . . 0.0 113.611 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tp -69.83 -62.26 1.45 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.693 1.197 . . . . 0.0 110.396 170.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.401 HD22 HD11 ' B' ' 48' ' ' LEU . 9.4 mt -64.98 -12.65 52.4 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.426 1.091 . . . . 0.0 113.749 -170.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.41 ' C ' ' H ' ' B' ' 35' ' ' TYR . 18.2 m -99.46 -3.69 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 115.872 1.805 . . . . 0.0 115.872 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.87 8.36 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 CA-C-N 122.509 2.413 . . . . 0.0 112.585 167.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . 0.41 ' H ' ' C ' ' B' ' 33' ' ' VAL . 3.8 t80 44.77 41.94 0.85 Allowed Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 126.674 1.99 . . . . 0.0 113.699 -158.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -75.87 175.29 11.49 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 121.917 1.745 . . . . 0.0 110.402 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -55.48 -22.67 21.89 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 166.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -21.86 66.06 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 119.109 -2.244 . . . . 0.0 113.504 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -56.15 -23.36 34.31 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 171.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -54.95 -22.85 16.44 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 176.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.03 5.51 46.31 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 175.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.74 -25.96 8.52 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.21 -34.63 68.74 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 173.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 77.6 p -90.19 -5.33 56.53 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.581 1.082 . . . . 0.0 112.995 172.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -106.93 -2.8 20.87 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.145 1.378 . . . . 0.0 113.597 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.32 -123.57 29.84 Favored Glycine 0 CA--C 1.535 1.332 0 CA-C-N 120.929 1.695 . . . . 0.0 113.048 175.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.55 111.87 2.23 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.614 0.766 . . . . 0.0 111.428 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.401 HD11 HD22 ' B' ' 32' ' ' LEU . 6.2 tt -146.3 -24.39 0.44 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 24.5 p -60.92 -4.08 0.92 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 -171.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . 0.415 ' HB ' ' HD2' ' B' ' 51' ' ' PRO . 6.5 p -143.07 163.72 36.1 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 126.606 1.962 . . . . 0.0 109.775 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . 0.415 ' HD2' ' HB ' ' B' ' 50' ' ' THR . 4.6 Cg_endo -57.8 -53.43 4.46 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.989 1.792 . . . . 0.0 112.372 175.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -63.09 -27.77 69.62 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.581 1.152 . . . . 0.0 113.108 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.17 -64.25 0.91 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.762 0.71 . . . . 0.0 111.022 169.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 p -68.04 -37.47 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -169.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.76 -26.16 63.23 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 178.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.85 -25.08 10.01 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 123.789 0.709 . . . . 0.0 114.692 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.463 HD22 HG23 ' B' ' 60' ' ' VAL . 9.6 t30 -62.26 120.51 59.16 Favored Pre-proline 0 CA--C 1.555 1.16 0 C-N-CA 124.878 1.271 . . . . 0.0 114.05 -172.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.74 -45.98 32.59 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 124.442 3.428 . . . . 0.0 115.389 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -62.83 -34.95 78.39 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.98 0.912 . . . . 0.0 112.949 -175.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.463 HG23 HD22 ' B' ' 57' ' ' ASN . 73.5 t -64.87 -45.1 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 C-N-CA 124.437 1.095 . . . . 0.0 110.332 171.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.54 -40.39 89.08 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 118.61 0.641 . . . . 0.0 112.253 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.2 99.39 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.396 1.078 . . . . 0.0 113.052 171.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -62.2 -37.59 85.9 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.619 -1.301 . . . . 0.0 112.38 169.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.71 -51.46 33.33 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.614 1.102 . . . . 0.0 113.016 166.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -57.64 -37.97 74.23 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 118.252 1.026 . . . . 0.0 113.225 173.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -69.82 -54.42 13.66 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.11 0.868 . . . . 0.0 113.087 176.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 4.2 m -60.75 -41.83 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 120.253 1.388 . . . . 0.0 111.85 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 tt -78.76 -33.53 46.38 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.483 -0.761 . . . . 0.0 111.646 -176.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.8 -41.27 90.75 Favored Glycine 0 CA--C 1.534 1.219 0 O-C-N 121.06 -1.025 . . . . 0.0 112.212 166.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.03 -41.22 95.47 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.208 1.004 . . . . 0.0 112.434 171.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.405 ' CD2' HD22 ' B' ' 110' ' ' LEU . 9.1 m-30 -58.71 -35.65 72.99 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.297 -1.502 . . . . 0.0 112.075 171.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -41.34 81.58 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.862 0.865 . . . . 0.0 113.08 172.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -57.23 -32.56 66.66 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.04 0.836 . . . . 0.0 111.702 170.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.16 -66.0 3.01 Favored Glycine 0 C--N 1.339 0.695 0 C-N-CA 123.746 0.688 . . . . 0.0 111.428 166.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.32 -32.82 39.74 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -178.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.89 -26.73 59.86 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.769 1.627 . . . . 0.0 115.155 176.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -144.67 45.91 1.38 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.324 1.45 . . . . 0.0 112.31 -169.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 93.9 mt -58.78 -23.37 60.07 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -178.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -63.45 -21.31 66.23 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.382 1.073 . . . . 0.0 113.659 173.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -92.63 -68.03 0.82 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.526 0.73 . . . . 0.0 111.914 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 48.94 -17.02 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 118.455 2.761 . . . . 0.0 118.455 -168.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -97.35 -66.1 0.92 Allowed 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.602 1.546 . . . . 0.0 110.036 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.81 -32.39 69.9 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.031 0.824 . . . . 0.0 114.992 -176.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -26.42 65.27 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.37 1.468 . . . . 0.0 113.98 174.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -116.09 -11.46 11.39 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -173.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.57 -40.67 52.83 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.827 1.418 . . . . 0.0 114.827 -172.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 19.9 p -66.78 -34.11 77.11 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.276 1.031 . . . . 0.0 112.949 173.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 41.4 mt -74.69 -38.43 62.37 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.245 1.018 . . . . 0.0 111.691 172.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.0 m -64.73 -37.37 87.37 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.981 1.264 . . . . 0.0 111.624 173.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.58 -55.65 28.53 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.932 1.293 . . . . 0.0 111.56 167.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 27.1 tp -52.91 -58.6 6.41 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.306 1.042 . . . . 0.0 111.36 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -78.25 41.04 0.37 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.254 1.422 . . . . 0.0 112.355 176.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . 0.607 ' SG ' HG21 ' C' ' 41' ' ' THR . 8.4 t -155.13 -74.61 0.11 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.503 1.121 . . . . 0.0 109.957 165.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -26.76 68.59 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.361 1.465 . . . . 0.0 114.158 -178.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.63 -35.43 9.12 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.997 0.919 . . . . 0.0 111.762 173.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mt -135.61 86.04 2.21 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.67 1.988 . . . . 0.0 109.065 -174.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -53.39 -28.81 31.49 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.733 1.213 . . . . 0.0 114.207 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 6.63 101.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 129.721 3.208 . . . . 0.0 115.104 161.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -62.26 139.27 96.28 Favored Pre-proline 0 CA--C 1.548 0.892 0 O-C-N 120.625 -1.297 . . . . 0.0 113.458 -164.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . 0.428 ' HD3' ' CE2' ' B' ' 145' ' ' TYR . 31.0 Cg_endo -65.86 -15.88 50.7 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.69 2.927 . . . . 0.0 115.449 -169.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -49.15 -38.9 26.93 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.916 0.887 . . . . 0.0 112.027 163.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.05 -37.12 86.28 Favored 'General case' 0 CA--C 1.55 0.973 0 O-C-N 121.338 -0.851 . . . . 0.0 111.026 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -63.87 -47.68 79.73 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.636 1.107 . . . . 0.0 111.229 172.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -56.5 -50.01 73.04 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.734 0.813 . . . . 0.0 110.129 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 74.7 mt -58.83 -46.47 87.61 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.871 0.868 . . . . 0.0 112.073 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.25 -36.96 76.43 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.602 0.637 . . . . 0.0 111.835 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' GLY . . . . . 0.413 ' CA ' HG11 ' B' ' 134' ' ' VAL . . . -65.73 -51.92 42.8 Favored Glycine 0 N--CA 1.469 0.851 0 O-C-N 120.871 -1.143 . . . . 0.0 114.186 171.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -53.71 -27.66 29.37 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.733 0.813 . . . . 0.0 112.585 173.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 8.5 t -81.0 -47.61 20.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 124.524 1.13 . . . . 0.0 113.453 174.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.405 HD22 ' CD2' ' B' ' 71' ' ' PHE . 11.5 tp -48.61 -54.21 15.51 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.406 1.003 . . . . 0.0 110.217 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.655 HG12 ' HB3' ' B' ' 130' ' ' TYR . 5.6 m -58.36 -25.56 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -175.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . 0.475 ' HA ' HG23 ' A' ' 107' ' ' VAL . 78.8 m -77.7 -39.83 43.34 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.399 -0.813 . . . . 0.0 112.533 175.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 16.7 m -74.24 -28.99 23.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-N 119.617 1.098 . . . . 0.0 112.832 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.43 ' CD2' ' CZ ' ' B' ' 130' ' ' TYR . 8.4 mp -64.29 -46.03 85.43 Favored 'General case' 0 N--CA 1.463 0.181 0 O-C-N 121.322 -0.861 . . . . 0.0 110.645 170.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.17 72.92 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 171.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -60.21 -52.77 63.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.013 1.278 . . . . 0.0 111.445 171.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -69.52 -23.85 63.65 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -176.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -131.35 49.21 2.34 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.938 1.695 . . . . 0.0 110.908 -174.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.14 -21.65 66.22 Favored Glycine 0 N--CA 1.468 0.831 0 N-CA-C 115.754 1.062 . . . . 0.0 115.754 -169.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -81.36 -2.03 47.7 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.37 1.085 . . . . 0.0 112.434 173.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.52 3.76 3.91 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.567 1.947 . . . . 0.0 113.45 -173.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.32 30.14 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 129.489 3.116 . . . . 0.0 118.112 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 7.4 p -51.08 153.05 3.42 Favored Pre-proline 0 N--CA 1.482 1.146 0 C-N-CA 124.259 1.024 . . . . 0.0 113.52 -166.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -45.87 -49.09 11.51 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.603 2.202 . . . . 0.0 114.134 172.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.91 -26.23 22.4 Favored 'Trans proline' 0 C--N 1.354 0.854 0 CA-C-O 116.74 -1.442 . . . . 0.0 114.37 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 9.4 t -58.8 -52.99 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 CA-C-N 122.837 2.562 . . . . 0.0 111.458 173.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . 0.459 ' HG3' HG21 ' A' ' 107' ' ' VAL . 1.1 tm0? -62.45 -47.0 85.96 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.411 0.285 . . . . 0.0 110.533 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.01 -38.12 89.92 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.68 -50.29 65.45 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 124.113 0.965 . . . . 0.0 110.269 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.655 ' HB3' HG12 ' B' ' 111' ' ' VAL . 6.5 m-85 -51.89 -46.24 64.46 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.872 -0.517 . . . . 0.0 111.686 167.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -63.49 -35.36 80.2 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 117.776 -1.107 . . . . 0.0 113.881 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -67.39 -40.02 85.65 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 121.715 2.052 . . . . 0.0 113.124 173.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.8 -43.52 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 120.243 1.383 . . . . 0.0 111.754 171.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.413 HG11 ' CA ' ' B' ' 107' ' ' GLY . 25.6 t -73.42 -29.66 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 119.272 0.942 . . . . 0.0 113.097 -178.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.46 -45.42 90.94 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 120.555 1.525 . . . . 0.0 111.674 169.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -55.21 -45.25 83.25 Favored Glycine 0 N--CA 1.473 1.148 0 N-CA-C 111.976 -0.45 . . . . 0.0 111.976 169.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -44.33 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.203 1.001 . . . . 0.0 113.309 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.26 -44.57 96.23 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.474 -0.766 . . . . 0.0 110.551 177.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -63.92 -35.65 81.38 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.388 0.675 . . . . 0.0 112.349 174.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.64 -47.29 73.04 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.827 0.851 . . . . 0.0 111.842 175.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 13.7 mt -61.53 -37.75 84.91 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.221 0.919 . . . . 0.0 111.1 173.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.4 -6.74 20.46 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 171.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -59.6 -36.12 75.65 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 119.515 -1.991 . . . . 0.0 113.444 -176.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -67.7 -4.27 11.68 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 174.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 145' ' ' TYR . . . . . 0.428 ' CE2' ' HD3' ' B' ' 100' ' ' PRO . 2.2 m-85 . . . . . 0 CA--C 1.554 1.11 0 C-N-CA 126.173 1.789 . . . . 0.0 111.8 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.507 2.414 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.468 HD13 HG22 ' C' ' 73' ' ' VAL . 5.0 mp -140.6 -171.09 3.15 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 119.963 -1.711 . . . . 0.0 110.809 172.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 7.7 p -112.78 141.58 25.68 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 126.059 1.744 . . . . 0.0 111.986 -176.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -52.51 -48.59 21.12 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 124.126 3.217 . . . . 0.0 116.084 -169.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.19 93.82 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 122.108 -0.37 . . . . 0.0 111.431 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.52 -40.07 96.08 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.83 0.452 . . . . 0.0 111.393 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -55.54 -50.21 70.61 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 118.808 0.731 . . . . 0.0 111.054 170.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 56.1 m -59.2 -44.59 92.23 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.825 0.85 . . . . 0.0 111.831 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -62.34 -41.73 98.82 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.634 -0.666 . . . . 0.0 111.918 176.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.31 -49.08 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.836 1.254 . . . . 0.0 111.452 173.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -58.45 -46.57 86.28 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 118.864 0.756 . . . . 0.0 111.547 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.95 -52.42 65.57 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.386 0.675 . . . . 0.0 111.564 177.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.95 -51.88 67.4 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.351 0.66 . . . . 0.0 111.986 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -63.95 -28.14 69.62 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.72 -42.75 99.64 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.584 1.088 . . . . 0.0 113.413 169.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -70.15 -35.04 73.76 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 118.617 1.209 . . . . 0.0 111.303 174.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.47 -50.59 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.251 1.02 . . . . 0.0 111.514 175.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.62 -139.08 9.88 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.099 0.857 . . . . 0.0 114.296 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.06 -22.55 50.75 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -69.88 -6.55 33.46 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 174.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.57 -47.36 28.41 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.564 1.075 . . . . 0.0 113.282 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.28 -37.93 95.64 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 121.909 -0.494 . . . . 0.0 113.503 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -63.53 -46.47 85.85 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.154 0.982 . . . . 0.0 110.81 174.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -68.31 -37.07 80.23 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.22 -51.48 58.59 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-N 118.723 0.692 . . . . 0.0 112.067 170.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.94 -50.42 68.91 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.53 0.732 . . . . 0.0 111.652 175.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -67.62 -35.8 79.61 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.24 83.68 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.122 0.874 . . . . 0.0 112.701 172.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 54.0 mt -64.1 -51.51 63.68 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.555 0.616 . . . . 0.0 111.63 173.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -57.24 -46.14 83.27 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 121.288 -0.882 . . . . 0.0 112.18 177.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.3 ttm105 -58.83 -47.39 84.99 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 124.97 1.308 . . . . 0.0 111.561 174.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 61.7 ttp -53.43 -46.46 69.81 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.601 1.091 . . . . 0.0 112.898 173.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -61.24 -17.75 54.91 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 174.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 34.4 mt -100.12 -46.5 5.3 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.341 1.057 . . . . 0.0 110.474 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 74.4 m -68.16 -29.29 68.13 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 126.956 2.102 . . . . 0.0 114.527 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -135.14 75.92 58.89 Favored Pre-proline 0 CA--C 1.541 0.635 0 C-N-CA 125.934 1.694 . . . . 0.0 109.844 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -46.57 -25.59 3.61 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 124.686 3.591 . . . . 0.0 115.467 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . 0.59 ' O ' HG22 ' C' ' 41' ' ' THR . 3.9 m -46.15 -38.83 8.71 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.798 1.639 . . . . 0.0 114.537 170.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 81.8 p -65.02 -31.49 72.75 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 119.847 -1.783 . . . . 0.0 112.359 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -58.71 -34.39 71.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.03 1.332 . . . . 0.0 112.212 173.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . 0.607 HG21 ' SG ' ' B' ' 93' ' ' CYS . 0.6 OUTLIER -66.17 -18.92 65.65 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 179.213 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' TYR . . . . . 0.592 ' CE2' HG22 ' C' ' 93' ' ' VAL . 0.1 OUTLIER -67.4 -9.52 42.36 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 121.196 -0.94 . . . . 0.0 113.282 175.699 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 46.69 64.32 8.53 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 124.892 1.277 . . . . 0.0 112.368 -168.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -47.79 145.1 10.24 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 123.924 3.083 . . . . 0.0 114.831 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.48 4.37 4.91 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -175.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.91 -175.93 3.94 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.789 1.636 . . . . 0.0 113.458 -167.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -122.71 142.94 50.15 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.733 1.213 . . . . 0.0 111.145 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -145.61 31.27 1.08 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.887 1.275 . . . . 0.0 113.091 -165.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 2.6 t -73.88 38.45 0.1 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.61 1.964 . . . . 0.0 114.192 -176.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 11.2 m170 63.09 147.3 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 129.085 2.954 . . . . 0.0 114.366 -170.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.62 17.67 49.52 Favored Glycine 0 CA--C 1.542 1.77 0 C-N-CA 124.593 1.092 . . . . 0.0 115.572 -176.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -62.15 133.01 54.66 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.8 1.24 . . . . 0.0 113.623 -171.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.23 67.98 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.159 1.384 . . . . 0.0 113.147 171.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -83.3 -40.73 19.14 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.383 0.673 . . . . 0.0 111.446 177.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.79 -41.64 88.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 O-C-N 121.471 -0.768 . . . . 0.0 111.995 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -61.98 -39.06 90.87 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 119.756 1.162 . . . . 0.0 112.684 175.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.62 -53.38 28.39 Favored Glycine 0 N--CA 1.469 0.878 0 C-N-CA 124.06 0.838 . . . . 0.0 112.018 176.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -56.28 -44.56 79.91 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.905 -0.762 . . . . 0.0 111.699 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.54 -48.79 63.59 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.422 1.01 . . . . 0.0 113.932 172.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -56.16 -42.84 77.67 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 118.597 1.199 . . . . 0.0 112.903 171.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.65 -41.88 68.22 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.1 0.864 . . . . 0.0 111.086 -178.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 63.6 t -55.75 -48.73 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.594 1.158 . . . . 0.0 110.422 169.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.33 -47.29 86.6 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -63.81 -38.95 92.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.045 0.839 . . . . 0.0 112.298 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.36 -36.97 81.7 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.271 -0.893 . . . . 0.0 112.609 169.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -42.79 94.23 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.324 -0.86 . . . . 0.0 111.622 170.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 90.9 m -57.47 -44.38 84.79 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.917 1.235 . . . . 0.0 111.886 171.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -58.59 -47.5 84.11 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.108 0.867 . . . . 0.0 110.996 171.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.19 -32.21 70.87 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 174.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 77.1 t -71.74 -49.02 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 120.19 1.359 . . . . 0.0 110.628 171.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.21 -28.02 67.65 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.364 1.466 . . . . 0.0 113.561 -177.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -124.02 28.06 6.95 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.449 1.5 . . . . 0.0 112.053 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.468 HG22 HD13 ' C' ' 2' ' ' LEU . 14.4 p -50.26 -37.44 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -171.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -103.25 9.55 38.08 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -142.16 33.9 1.53 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.97 2.108 . . . . 0.0 111.068 -171.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -116.55 55.76 1.41 Allowed Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 125.545 1.538 . . . . 0.0 113.204 -177.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -64.93 -37.42 34.13 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 122.009 1.806 . . . . 0.0 112.34 178.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -142.72 19.28 2.0 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.496 1.518 . . . . 0.0 113.13 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.89 -10.23 36.57 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 120.097 -1.627 . . . . 0.0 114.595 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 30.8 mt -113.38 17.56 18.39 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.088 1.755 . . . . 0.0 111.498 171.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 41.1 t -56.67 -38.96 72.92 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.71 1.204 . . . . 0.0 112.749 -176.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.22 -28.62 59.06 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 173.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 10.6 mt -84.06 -42.02 16.56 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.069 0.948 . . . . 0.0 111.288 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 33.6 t -54.94 -42.48 72.36 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.572 0.349 . . . . 0.0 110.945 166.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -63.08 -45.79 90.45 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.067 1.347 . . . . 0.0 112.355 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -44.84 70.51 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.901 0.773 . . . . 0.0 111.405 173.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -67.55 -63.27 1.09 Allowed 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.609 -0.682 . . . . 0.0 110.909 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.08 -30.86 71.93 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -169.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -103.17 2.3 34.32 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.153 0.981 . . . . 0.0 113.049 -171.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -149.74 -32.61 0.2 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -174.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 97.2 mt -125.01 -117.71 0.28 Allowed 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 116.401 -1.761 . . . . 0.0 107.782 168.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . 0.25 0.0 OUTLIER 155.55 47.82 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.313 0 C-N-CA 130.523 3.529 . . . . 0.0 113.175 164.037 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . 0.592 HG22 ' CE2' ' C' ' 42' ' ' TYR . 23.6 t -68.42 140.11 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 O-C-N 120.657 -1.277 . . . . 0.0 112.722 -169.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.7 142.98 51.67 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 126.416 1.887 . . . . 0.0 113.619 175.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -59.48 -22.32 65.74 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 123.026 2.484 . . . . 0.0 113.232 165.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 37.7 t -52.34 -46.47 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 120.675 -1.266 . . . . 0.0 110.722 167.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -61.1 -41.07 95.99 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.847 0.749 . . . . 0.0 112.238 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 3.4 t80 -53.91 -46.84 71.56 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.492 -0.755 . . . . 0.0 111.275 172.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -56.53 -34.83 67.41 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 118.828 0.74 . . . . 0.0 111.944 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.79 -52.24 61.15 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.094 0.958 . . . . 0.0 110.868 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -40.89 91.49 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.292 1.037 . . . . 0.0 112.148 174.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 11.0 t -54.57 -52.34 62.4 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.766 1.226 . . . . 0.0 112.129 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -58.32 -42.43 86.75 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 120.997 -1.064 . . . . 0.0 111.237 173.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 92.0 m -69.29 -10.56 58.39 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 174.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 14.4 mt -91.42 -47.43 7.45 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.156 1.782 . . . . 0.0 111.852 168.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 53.8 mt -51.22 -46.99 62.43 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.645 1.178 . . . . 0.0 111.107 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . 0.473 HG23 ' HA ' ' D' ' 112' ' ' CYS . 7.2 p -52.44 -45.04 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 170.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -64.13 -43.17 96.09 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.295 0.638 . . . . 0.0 110.893 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.26 -46.0 88.87 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.46 -31.95 64.48 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.54 -17.3 61.74 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.594 1.701 . . . . 0.0 115.594 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -118.96 -30.42 5.03 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -174.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.6 mp -78.38 175.85 4.24 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 124.582 1.153 . . . . 0.0 110.939 172.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.56 -154.53 0.0 OUTLIER 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 124.722 3.615 . . . . 0.0 113.221 156.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.24 57.84 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.747 1.619 . . . . 0.0 114.502 174.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -42.46 -27.67 0.17 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.88 2.472 . . . . 0.0 114.105 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -69.85 7.14 0.97 Allowed 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.07 160.45 3.13 Favored Pre-proline 0 N--CA 1.489 1.499 0 CA-C-N 121.387 1.903 . . . . 0.0 112.512 175.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -54.28 -50.27 14.09 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.069 1.846 . . . . 0.0 112.627 169.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.54 -54.55 41.62 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.623 0.369 . . . . 0.0 110.616 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.26 -40.4 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 O-C-N 121.056 -1.027 . . . . 0.0 111.932 -172.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -74.95 -47.28 30.31 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 120.202 1.364 . . . . 0.0 112.761 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.76 -47.33 85.06 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 120.081 1.309 . . . . 0.0 110.604 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 99.7 p -60.73 -48.12 83.2 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 117.406 -1.283 . . . . 0.0 113.456 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 78.3 mt -67.38 -43.93 80.18 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 120.642 1.564 . . . . 0.0 111.778 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -59.54 -51.19 70.93 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.59 1.086 . . . . 0.0 112.058 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -29.46 64.77 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -63.23 -53.52 51.82 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 117.595 -1.193 . . . . 0.0 110.668 170.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.89 -40.1 83.43 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.467 1.031 . . . . 0.0 110.782 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.05 -42.91 73.31 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 120.137 -1.602 . . . . 0.0 113.143 169.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 17.3 t -64.24 -43.11 95.93 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 120.908 -1.12 . . . . 0.0 113.116 172.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 50.6 t -55.68 -43.55 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.289 -0.882 . . . . 0.0 110.158 171.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 4.4 t -57.28 -52.33 65.75 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.711 1.204 . . . . 0.0 112.746 172.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 59.4 m -51.83 -46.19 64.25 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.883 0.873 . . . . 0.0 111.562 175.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 61.5 t -69.41 -41.2 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 O-C-N 121.526 -0.734 . . . . 0.0 112.081 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -15.34 21.83 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.447 1.099 . . . . 0.0 113.757 168.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 20.4 m -101.44 -11.54 19.27 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.737 1.615 . . . . 0.0 111.734 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 N--CA 1.473 0.693 0 C-N-CA 124.854 1.262 . . . . 0.0 113.2 -177.095 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.335 3.4 p . . . . . 0 N--CA 1.515 2.808 0 CA-C-O 117.032 -1.461 . . . . 0.0 113.287 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 34.5 p-80 26.93 62.12 0.09 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 127.566 2.347 . . . . 0.0 115.811 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.19 147.04 36.83 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 120.919 -1.113 . . . . 0.0 109.751 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.61 157.98 62.46 Favored Pre-proline 0 N--CA 1.481 1.122 0 CA-C-O 118.679 -0.677 . . . . 0.0 109.949 171.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -52.85 -36.95 76.27 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.488 2.125 . . . . 0.0 114.788 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -75.97 -37.89 58.09 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.118 0.872 . . . . 0.0 112.012 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -63.15 -49.37 74.63 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.614 -0.679 . . . . 0.0 111.187 171.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -54.44 -49.27 70.4 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.183 1.393 . . . . 0.0 110.973 174.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 28.7 t -54.01 -47.16 71.78 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.855 0.752 . . . . 0.0 111.182 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.69 74.29 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 3.0 p -64.1 -52.86 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.275 0 CA-C-N 120.191 1.359 . . . . 0.0 111.625 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -73.98 -31.2 62.88 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.133 -0.979 . . . . 0.0 112.996 -171.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.64 -37.06 81.9 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 120.524 1.511 . . . . 0.0 112.019 172.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -40.07 94.05 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.625 -0.672 . . . . 0.0 110.824 169.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -54.53 -45.86 73.46 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.019 0.827 . . . . 0.0 111.522 170.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.21 -26.88 56.93 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.825 1.679 . . . . 0.0 115.461 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -101.53 -13.09 18.03 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.781 1.291 . . . . 0.0 113.524 172.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.48 137.52 21.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.611 1.164 . . . . 0.0 112.07 -173.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -87.43 82.19 7.6 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.75 0.82 . . . . 0.0 108.83 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 62.0 t -53.01 -39.41 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 C-N-CA 124.114 0.966 . . . . 0.0 113.366 -170.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.28 -6.07 49.83 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -122.29 -51.74 1.97 Allowed 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.326 -1.484 . . . . 0.0 110.842 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -29.49 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 119.438 1.017 . . . . 0.0 112.506 170.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.79 -42.36 46.43 Favored Glycine 0 N--CA 1.472 1.056 0 O-C-N 121.004 -1.06 . . . . 0.0 112.055 173.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.83 -41.17 99.6 Favored Glycine 0 N--CA 1.472 1.045 0 CA-C-N 117.959 0.879 . . . . 0.0 112.51 171.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -64.11 -39.63 94.47 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.978 1.311 . . . . 0.0 111.854 171.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.25 -53.98 44.56 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 120.191 1.36 . . . . 0.0 110.469 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 mp -61.8 -42.4 98.96 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.107 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -52.6 -63.07 5.25 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 119.585 1.084 . . . . 0.0 112.517 171.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 16.7 ttt-85 -47.94 -36.57 12.66 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.987 1.715 . . . . 0.0 113.515 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 tp -69.75 -62.24 1.46 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.651 1.18 . . . . 0.0 110.453 169.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mt -65.1 -12.99 56.82 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.532 1.133 . . . . 0.0 113.599 -170.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' VAL . . . . . 0.409 ' C ' ' H ' ' D' ' 35' ' ' TYR . 17.7 m -98.62 -4.14 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 176.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.86 8.33 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 CA-C-N 122.589 2.45 . . . . 0.0 112.601 168.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' TYR . . . . . 0.409 ' H ' ' C ' ' D' ' 33' ' ' VAL . 3.7 t80 44.65 41.99 0.85 Allowed Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 126.614 1.966 . . . . 0.0 113.727 -158.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -75.8 175.26 11.53 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.84 1.694 . . . . 0.0 110.501 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -55.65 -22.48 23.09 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 166.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -21.8 66.13 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 119.413 -2.054 . . . . 0.0 113.511 178.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -56.3 -23.27 35.73 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 171.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -55.03 -23.03 17.71 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 115.405 1.632 . . . . 0.0 115.405 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.74 5.64 45.09 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 175.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.81 -26.06 9.01 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.081 -1.637 . . . . 0.0 115.329 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.19 -34.5 68.55 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 173.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 78.2 p -90.26 -5.27 56.52 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.707 1.139 . . . . 0.0 112.996 172.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -107.12 -2.58 20.81 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.924 1.29 . . . . 0.0 113.526 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.34 -123.7 30.09 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-N 121.049 1.749 . . . . 0.0 113.045 175.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.51 111.99 2.28 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.537 0.735 . . . . 0.0 111.351 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 tt -146.33 -24.56 0.43 Allowed 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 24.7 p -60.65 -4.29 0.9 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 116.612 2.078 . . . . 0.0 116.612 -171.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 50' ' ' THR . . . . . 0.42 ' HB ' ' HD2' ' D' ' 51' ' ' PRO . 6.5 p -143.02 163.67 36.48 Favored Pre-proline 0 N--CA 1.475 0.792 0 C-N-CA 126.646 1.978 . . . . 0.0 109.766 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 51' ' ' PRO . . . . . 0.42 ' HD2' ' HB ' ' D' ' 50' ' ' THR . 4.5 Cg_endo -57.86 -53.42 4.44 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 122.032 1.822 . . . . 0.0 112.267 175.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -62.95 -27.91 69.72 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.648 1.179 . . . . 0.0 113.187 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.09 -64.4 0.87 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.635 0.652 . . . . 0.0 111.053 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 p -67.88 -37.49 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -169.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.89 -26.06 63.07 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.85 -25.02 10.05 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 123.726 0.679 . . . . 0.0 114.789 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 57' ' ' ASN . . . . . 0.464 HD22 HG23 ' D' ' 60' ' ' VAL . 9.5 t30 -62.16 120.52 58.87 Favored Pre-proline 0 CA--C 1.555 1.153 0 C-N-CA 124.888 1.275 . . . . 0.0 114.057 -172.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -50.7 -45.87 33.04 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 124.389 3.392 . . . . 0.0 115.531 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -62.99 -34.84 78.38 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.023 0.929 . . . . 0.0 112.899 -175.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 60' ' ' VAL . . . . . 0.464 HG23 HD22 ' D' ' 57' ' ' ASN . 74.4 t -65.04 -45.04 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 124.422 1.089 . . . . 0.0 110.282 171.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -40.55 89.21 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 118.463 0.574 . . . . 0.0 112.292 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.29 99.17 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.43 1.092 . . . . 0.0 113.11 171.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -62.41 -37.56 86.27 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.661 -1.274 . . . . 0.0 112.278 169.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.7 -51.38 33.57 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.476 1.036 . . . . 0.0 113.059 166.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -57.52 -38.19 74.26 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 118.174 0.987 . . . . 0.0 113.246 173.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -69.8 -54.45 13.58 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 118.049 -0.977 . . . . 0.0 112.995 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 m -60.51 -41.92 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 120.416 1.462 . . . . 0.0 112.119 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 3.8 tt -78.77 -33.59 46.28 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.248 -0.908 . . . . 0.0 111.461 -176.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.59 -41.33 89.17 Favored Glycine 0 CA--C 1.535 1.293 0 O-C-N 121.362 -0.836 . . . . 0.0 112.34 166.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.21 95.72 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 117.877 0.838 . . . . 0.0 112.543 170.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . 0.408 ' CD2' HD22 ' D' ' 110' ' ' LEU . 9.0 m-30 -58.82 -35.44 72.89 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 120.41 -1.432 . . . . 0.0 112.111 171.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -41.29 81.23 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.85 0.86 . . . . 0.0 113.065 172.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -57.24 -32.61 66.73 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.968 0.804 . . . . 0.0 111.641 170.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.11 -65.93 3.06 Favored Glycine 0 C--N 1.339 0.739 0 C-N-CA 123.643 0.64 . . . . 0.0 111.622 166.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.1 mt -52.5 -32.68 41.35 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.91 -26.66 59.8 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.735 1.614 . . . . 0.0 115.103 176.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -144.67 45.84 1.38 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.326 1.45 . . . . 0.0 112.351 -169.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 93.8 mt -58.78 -23.48 60.25 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -63.37 -21.27 66.18 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.344 1.058 . . . . 0.0 113.704 173.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -92.67 -68.04 0.82 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.47 0.708 . . . . 0.0 111.939 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 49.01 -17.07 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 118.488 2.773 . . . . 0.0 118.488 -168.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -97.43 -65.91 0.93 Allowed 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 120.587 1.54 . . . . 0.0 110.091 172.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.89 -32.48 70.43 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.001 0.81 . . . . 0.0 114.896 -176.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.67 -26.58 65.38 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.312 1.445 . . . . 0.0 114.077 174.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -115.78 -11.68 11.57 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -173.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.36 -40.73 50.15 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -171.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 20.3 p -66.72 -33.99 76.87 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.35 1.06 . . . . 0.0 113.014 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 41.3 mt -74.84 -38.54 61.97 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 124.157 0.983 . . . . 0.0 111.737 172.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 2.8 m -64.54 -37.53 87.89 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.852 1.206 . . . . 0.0 111.708 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -55.75 28.4 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.92 1.288 . . . . 0.0 111.535 167.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 26.9 tp -52.94 -58.68 6.12 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.256 1.023 . . . . 0.0 111.301 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -78.05 40.91 0.35 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.195 1.398 . . . . 0.0 112.541 176.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 93' ' ' CYS . . . . . 0.596 ' SG ' HG21 ' A' ' 41' ' ' THR . 8.4 t -155.08 -74.71 0.11 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.489 1.116 . . . . 0.0 109.888 165.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -26.87 68.57 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.432 1.493 . . . . 0.0 114.101 -177.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.81 -35.27 9.1 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.885 0.874 . . . . 0.0 111.666 173.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mt -135.73 85.95 2.2 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.803 2.041 . . . . 0.0 109.107 -174.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -53.41 -28.79 31.7 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 6.61 101.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 129.69 3.196 . . . . 0.0 115.229 161.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.15 139.25 96.09 Favored Pre-proline 0 CA--C 1.55 0.958 0 O-C-N 120.561 -1.337 . . . . 0.0 113.636 -164.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 100' ' ' PRO . . . . . 0.422 ' HD3' ' CE2' ' D' ' 145' ' ' TYR . 31.1 Cg_endo -65.76 -16.01 51.49 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.586 2.858 . . . . 0.0 115.359 -168.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -49.39 -38.57 29.27 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.166 -0.959 . . . . 0.0 111.924 163.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.29 -36.99 85.9 Favored 'General case' 0 CA--C 1.553 1.07 0 O-C-N 121.298 -0.876 . . . . 0.0 110.88 177.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -64.0 -47.76 79.05 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.624 1.102 . . . . 0.0 111.301 172.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -56.53 -50.31 72.23 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.707 0.803 . . . . 0.0 110.443 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 74.7 mt -57.79 -47.0 83.8 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.16 0.984 . . . . 0.0 112.337 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.16 -36.79 75.91 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.722 0.692 . . . . 0.0 111.82 176.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 107' ' ' GLY . . . . . 0.423 ' CA ' HG11 ' D' ' 134' ' ' VAL . . . -66.02 -51.85 41.89 Favored Glycine 0 N--CA 1.469 0.838 0 O-C-N 121.136 -0.977 . . . . 0.0 114.159 171.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -53.26 -27.94 25.12 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.867 0.867 . . . . 0.0 112.767 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 7.7 t -81.12 -47.76 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 124.524 1.13 . . . . 0.0 113.377 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . 0.408 HD22 ' CD2' ' D' ' 71' ' ' PHE . 12.1 tp -48.39 -53.51 17.38 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.528 1.058 . . . . 0.0 110.434 177.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 111' ' ' VAL . . . . . 0.655 HG12 ' HB3' ' D' ' 130' ' ' TYR . 5.2 m -59.19 -25.3 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -174.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 112' ' ' CYS . . . . . 0.473 ' HA ' HG23 ' C' ' 107' ' ' VAL . 79.5 m -77.63 -40.15 42.84 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.405 -0.809 . . . . 0.0 112.796 174.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 17.0 m -73.85 -28.93 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 119.698 1.135 . . . . 0.0 113.039 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 114' ' ' LEU . . . . . 0.437 ' CD2' ' CZ ' ' D' ' 130' ' ' TYR . 8.4 mp -64.27 -46.23 84.58 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 119.142 0.883 . . . . 0.0 110.398 170.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.06 -34.27 73.2 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.248 0.832 . . . . 0.0 113.248 172.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -60.12 -53.07 62.15 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.912 1.233 . . . . 0.0 111.425 171.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -69.2 -23.67 63.94 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -176.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -131.4 49.21 2.34 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.095 1.758 . . . . 0.0 110.997 -174.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.2 -21.65 66.36 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 115.761 1.064 . . . . 0.0 115.761 -169.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -81.48 -1.85 47.51 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.314 1.057 . . . . 0.0 112.378 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.45 3.71 3.92 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.612 1.965 . . . . 0.0 113.491 -173.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.21 30.1 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 129.389 3.076 . . . . 0.0 118.299 -178.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 7.5 p -51.04 153.11 3.32 Favored Pre-proline 0 N--CA 1.479 0.989 0 C-N-CA 124.398 1.079 . . . . 0.0 113.446 -166.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -46.08 -48.99 11.96 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 122.647 2.231 . . . . 0.0 114.1 172.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.95 -26.17 22.29 Favored 'Trans proline' 0 C--N 1.356 0.93 0 CA-C-O 116.757 -1.435 . . . . 0.0 114.465 174.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 9.9 t -58.91 -52.95 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 CA-C-N 122.822 2.555 . . . . 0.0 111.442 172.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 127' ' ' GLN . . . . . 0.47 ' HG3' HG21 ' C' ' 107' ' ' VAL . 1.1 tm0? -62.35 -47.05 85.91 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.481 0.312 . . . . 0.0 110.534 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.24 -37.88 89.07 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.83 -50.16 65.62 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.236 1.014 . . . . 0.0 110.323 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 130' ' ' TYR . . . . . 0.655 ' HB3' HG12 ' D' ' 111' ' ' VAL . 6.4 m-85 -51.96 -46.2 64.7 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.236 0.471 . . . . 0.0 111.763 167.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -63.51 -35.62 81.05 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 117.748 -1.12 . . . . 0.0 113.817 177.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -67.22 -40.23 86.36 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 121.701 2.046 . . . . 0.0 113.165 173.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 4.5 p -67.38 -43.93 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 CA-C-N 120.281 1.401 . . . . 0.0 111.745 171.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 134' ' ' VAL . . . . . 0.423 HG11 ' CA ' ' D' ' 107' ' ' GLY . 26.2 t -73.41 -29.82 28.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 119.29 0.95 . . . . 0.0 112.946 -177.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.3 -45.53 90.92 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 120.746 1.612 . . . . 0.0 111.687 169.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -54.96 -45.33 81.49 Favored Glycine 0 N--CA 1.473 1.109 0 O-C-N 121.979 -0.451 . . . . 0.0 112.202 168.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.59 -44.28 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.276 1.03 . . . . 0.0 113.284 176.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.24 -44.48 96.46 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.327 -0.858 . . . . 0.0 110.554 177.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -64.18 -35.78 81.9 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.407 0.683 . . . . 0.0 112.255 174.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.65 -47.45 72.47 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.678 0.791 . . . . 0.0 112.171 175.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.73 -38.23 84.4 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.581 1.082 . . . . 0.0 111.12 172.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.72 -6.34 20.43 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 172.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -59.49 -36.2 75.58 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 119.518 -1.989 . . . . 0.0 113.491 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -67.68 -4.18 11.35 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 174.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 145' ' ' TYR . . . . . 0.422 ' CE2' ' HD3' ' D' ' 100' ' ' PRO . 2.2 m-85 -95.61 11.03 34.64 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.334 1.854 . . . . 0.0 111.798 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.257 1.492 0 C-N-CA 127.924 2.49 . . . . 0.0 115.269 174.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.511 2.607 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -137.72 -177.19 4.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 119.522 -1.986 . . . . 0.0 113.03 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.04 -163.33 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.197 0 C-N-CA 126.267 1.827 . . . . 0.0 112.02 176.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -102.82 -38.79 0.02 OUTLIER 'Trans proline' 0 CA--C 1.546 1.116 0 C-N-CA 123.088 2.525 . . . . 0.0 115.074 169.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.68 -32.17 71.79 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 120.613 -1.305 . . . . 0.0 112.774 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -59.27 -48.64 80.86 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 125.006 1.322 . . . . 0.0 112.698 166.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -55.57 -49.08 73.67 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.035 0.834 . . . . 0.0 109.969 174.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.6 m -55.56 -50.23 70.6 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.648 0.779 . . . . 0.0 112.327 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -61.39 -39.77 91.91 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 118.592 0.633 . . . . 0.0 112.258 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.5 t -65.18 -44.19 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 123.954 0.901 . . . . 0.0 111.439 175.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -61.66 -46.16 90.93 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.551 1.068 . . . . 0.0 111.27 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.71 -52.8 63.93 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.392 0.677 . . . . 0.0 111.209 175.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.42 -51.53 69.04 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.523 1.129 . . . . 0.0 111.879 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -66.26 -27.46 67.96 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.329 -0.857 . . . . 0.0 113.095 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.77 -41.63 94.05 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.215 0.912 . . . . 0.0 112.986 167.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -69.43 -35.2 75.47 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 118.306 1.053 . . . . 0.0 111.847 171.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.426 HG12 ' HB2' ' A' ' 21' ' ' ALA . 86.3 t -65.69 -27.05 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 125.054 1.342 . . . . 0.0 113.765 177.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -35.87 123.06 0.69 Allowed Glycine 0 CA--C 1.541 1.715 0 C-N-CA 125.159 1.361 . . . . 0.0 114.394 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 78.85 -39.24 0.23 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 129.19 2.996 . . . . 0.0 114.539 -173.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -75.33 -17.42 60.26 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.341 1.056 . . . . 0.0 113.607 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -38.67 -54.35 1.56 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 127.144 2.177 . . . . 0.0 114.552 -178.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.36 -32.49 65.04 Favored Glycine 0 N--CA 1.467 0.705 0 O-C-N 121.641 -0.662 . . . . 0.0 114.149 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -59.27 -45.89 90.0 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.896 0.878 . . . . 0.0 109.531 170.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.511 ' HA ' HG21 ' A' ' 108' ' ' THR . 13.1 m-30 -65.99 -39.89 90.72 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.63 -47.0 93.33 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 123.308 0.48 . . . . 0.0 112.648 171.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.5 -45.73 90.85 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 117.979 0.889 . . . . 0.0 112.12 176.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -41.2 97.91 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 123.231 0.613 . . . . 0.0 112.301 174.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.21 -45.92 89.44 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.34 0.518 . . . . 0.0 112.048 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.3 mt -56.12 -54.41 45.43 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.063 0.945 . . . . 0.0 111.046 175.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -58.14 -41.0 82.78 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 122.838 0.455 . . . . 0.0 111.86 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.4 ttm105 -61.34 -35.3 77.03 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 117.222 -1.37 . . . . 0.0 113.031 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.3 mtm -61.24 -45.91 92.58 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.58 1.536 . . . . 0.0 111.56 171.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -66.43 -15.76 63.58 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -111.34 -22.76 11.17 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.845 1.258 . . . . 0.0 113.248 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 82.1 p -80.08 -36.28 35.75 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.027 1.285 . . . . 0.0 113.59 171.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -130.77 80.45 69.74 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 127.614 2.366 . . . . 0.0 109.219 -175.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.38 -17.09 3.84 Favored 'Trans proline' 0 CA--C 1.545 1.045 0 C-N-CA 123.784 2.989 . . . . 0.0 115.695 175.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.5 p -54.9 -30.26 57.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.254 1.422 . . . . 0.0 114.178 165.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.454 HG22 ' ND2' ' A' ' 97' ' ' ASN . 13.5 p -63.88 -39.31 93.88 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 120.853 1.661 . . . . 0.0 111.43 174.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -56.2 -37.7 70.0 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.724 1.61 . . . . 0.0 112.671 -176.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.19 -24.55 66.41 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 177.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -67.84 -12.44 60.63 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.229 -0.92 . . . . 0.0 112.525 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 32.5 57.54 1.33 Allowed Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 127.232 2.213 . . . . 0.0 112.892 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -77.8 64.0 8.13 Favored 'Trans proline' 0 CA--C 1.545 1.034 0 C-N-CA 124.217 3.278 . . . . 0.0 112.575 -162.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.291 3.4 p-80 49.45 20.55 0.48 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 128.737 2.815 . . . . 0.0 116.036 -168.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -111.74 149.2 32.01 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.163 1.385 . . . . 0.0 112.151 -173.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.27 -18.58 6.77 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.079 1.752 . . . . 0.0 113.402 -173.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt 51.71 38.25 22.37 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.704 1.601 . . . . 0.0 113.745 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.8 p -67.44 22.48 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 128.169 2.588 . . . . 0.0 116.898 -172.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.0 m80 73.36 114.23 0.06 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 128.646 2.778 . . . . 0.0 112.912 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.85 25.8 70.83 Favored Glycine 0 CA--C 1.539 1.552 0 O-C-N 121.512 -0.743 . . . . 0.0 113.978 -174.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.4 p -64.98 142.09 58.56 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.242 1.017 . . . . 0.0 113.412 -169.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.83 -33.27 75.31 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.546 -0.721 . . . . 0.0 112.718 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.48 -40.86 98.23 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.15 -44.42 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 119.864 1.211 . . . . 0.0 111.351 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -44.59 95.81 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.693 0.678 . . . . 0.0 112.068 174.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.22 -51.55 58.15 Favored Glycine 0 N--CA 1.471 1.012 0 C-N-CA 123.933 0.777 . . . . 0.0 112.366 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -58.63 -41.62 86.39 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.861 -0.788 . . . . 0.0 111.757 173.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.6 -49.85 44.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 121.537 -0.727 . . . . 0.0 113.222 170.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.1 -44.45 87.64 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 118.292 1.046 . . . . 0.0 112.256 173.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -59.4 -54.28 48.52 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.591 1.087 . . . . 0.0 111.941 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.2 t -53.79 -41.86 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.983 0.913 . . . . 0.0 110.943 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -65.91 -45.45 81.89 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 176.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -61.69 -35.69 78.73 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.057 1.299 . . . . 0.0 112.295 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.07 -43.72 98.23 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.435 -0.79 . . . . 0.0 112.405 169.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.97 -43.2 86.33 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.304 170.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.4 m -59.15 -45.56 90.66 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 119.866 1.212 . . . . 0.0 111.86 173.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -34.34 78.17 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.625 1.102 . . . . 0.0 111.802 177.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.64 79.88 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.461 -0.781 . . . . 0.0 111.05 169.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.8 t -56.89 -45.46 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 120.122 1.328 . . . . 0.0 111.449 174.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.6 -25.37 67.3 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -141.08 31.51 1.77 Allowed 'General case' 0 C--O 1.219 -0.533 0 C-N-CA 124.196 0.999 . . . . 0.0 112.823 -167.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.2 p -60.99 -16.38 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 119.374 -2.079 . . . . 0.0 115.956 -162.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -102.04 -0.42 33.6 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 172.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -130.61 -0.69 4.37 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 128.371 2.668 . . . . 0.0 113.322 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -60.86 -15.92 0.32 Allowed Pre-proline 0 CA--C 1.543 0.686 0 N-CA-C 117.352 2.353 . . . . 0.0 117.352 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -47.17 -30.21 10.24 Favored 'Trans proline' 0 C--N 1.358 1.035 0 CA-C-N 123.788 2.389 . . . . 0.0 115.657 163.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.8 -40.3 16.17 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.198 0.908 . . . . 0.0 113.171 170.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.53 -24.85 61.19 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -175.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 79.3 mt -97.53 2.81 50.56 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.966 1.307 . . . . 0.0 112.569 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.1 m -53.82 -41.02 66.88 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 120.172 1.351 . . . . 0.0 113.871 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.64 -15.7 31.08 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 176.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mt -109.26 -31.3 7.62 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.385 1.874 . . . . 0.0 111.082 -172.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.7 m -56.21 -42.39 77.16 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 119.155 -0.45 . . . . 0.0 110.387 153.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -61.96 -32.31 72.73 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.532 1.06 . . . . 0.0 112.902 172.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.0 -66.09 0.56 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 120.065 1.302 . . . . 0.0 108.762 162.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -61.3 -10.09 6.4 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 -173.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.52 -11.8 7.79 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.677 1.591 . . . . 0.0 114.729 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -134.69 -1.4 2.77 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 120.047 1.294 . . . . 0.0 114.429 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.84 98.77 2.22 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.886 1.274 . . . . 0.0 112.069 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.5 mt 69.78 81.25 0.17 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.442 1.497 . . . . 0.0 111.003 -175.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -63.73 -6.12 5.15 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 116.072 1.878 . . . . 0.0 116.072 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 24.3 t -1.31 114.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 129.904 3.282 . . . . 0.0 115.25 174.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -34.82 123.99 0.55 Allowed Pre-proline 0 CA--C 1.556 1.192 0 C-N-CA 125.125 1.37 . . . . 0.0 112.635 171.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -42.85 -13.12 0.04 OUTLIER 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 124.929 3.753 . . . . 0.0 117.017 168.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.5 p -42.36 -40.73 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 121.223 1.829 . . . . 0.0 112.681 161.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.454 ' ND2' HG22 ' A' ' 39' ' ' THR . 26.9 m120 -73.6 -25.42 60.32 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 117.652 -1.166 . . . . 0.0 113.028 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -57.91 -52.69 64.46 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 120.063 1.301 . . . . 0.0 108.885 166.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -55.89 -38.07 69.7 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.004 0.922 . . . . 0.0 111.612 -176.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 77.2 mt -69.58 -48.0 61.68 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 119.01 -0.519 . . . . 0.0 111.405 175.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.85 -42.87 98.68 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 119.307 0.958 . . . . 0.0 112.364 176.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 82.5 p -68.03 -46.01 72.38 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 119.34 0.973 . . . . 0.0 112.298 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -64.72 -44.37 90.41 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.473 1.033 . . . . 0.0 111.835 172.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 62.6 m -62.1 -38.56 89.34 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 118.039 -0.981 . . . . 0.0 112.456 176.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.9 -54.31 47.66 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.763 1.165 . . . . 0.0 110.933 169.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 45.0 mt -50.1 -43.33 51.47 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.698 1.135 . . . . 0.0 111.652 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.77 -42.89 98.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 123.805 0.842 . . . . 0.0 112.399 175.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.511 HG21 ' HA ' ' A' ' 24' ' ' TYR . 3.1 m -63.87 -45.74 88.05 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 120.155 1.343 . . . . 0.0 112.581 171.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 17.8 mt -64.15 -48.51 75.74 Favored 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 123.033 0.533 . . . . 0.0 109.659 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -48.86 -44.45 39.71 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.869 0.868 . . . . 0.0 113.077 171.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.15 -38.5 56.66 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -116.3 -34.83 4.51 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -168.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.1 tt -72.94 125.4 91.13 Favored Pre-proline 0 CA--C 1.544 0.742 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 172.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -70.97 71.93 2.09 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.265 2.644 . . . . 0.0 111.054 171.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.28 11.63 0.22 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.889 2.076 . . . . 0.0 113.403 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 49.53 21.37 0.6 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.354 2.262 . . . . 0.0 113.811 -175.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.7 p90 36.91 27.04 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.468 2.307 . . . . 0.0 115.541 -165.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.86 155.39 91.77 Favored Pre-proline 0 N--CA 1.48 1.03 0 O-C-N 120.696 -1.252 . . . . 0.0 111.69 -173.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -64.88 -46.99 5.5 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.158 1.905 . . . . 0.0 110.951 173.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.22 98.96 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 118.897 -0.573 . . . . 0.0 112.135 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 88.0 t -65.75 -41.96 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-N 120.261 1.392 . . . . 0.0 112.348 -177.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -37.51 87.77 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.447 1.021 . . . . 0.0 112.163 173.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.47 -55.35 36.19 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 117.91 0.323 . . . . 0.0 110.578 171.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.7 m -56.91 -48.3 78.55 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.572 1.549 . . . . 0.0 112.693 -177.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 75.5 mt -64.62 -43.94 92.11 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.493 0.588 . . . . 0.0 111.949 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.52 -54.86 33.67 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 119.553 1.069 . . . . 0.0 111.985 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -27.84 67.94 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -66.6 -49.97 64.56 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 118.885 0.766 . . . . 0.0 111.38 169.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.92 -32.81 68.13 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.07 -1.019 . . . . 0.0 111.763 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.82 -32.82 73.63 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 171.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 93.1 p -74.1 -42.52 59.98 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 120.061 -1.649 . . . . 0.0 111.281 170.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 95.0 t -53.52 -50.42 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.036 0.934 . . . . 0.0 110.274 174.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.408 ' CB ' ' CD1' ' A' ' 98' ' ' PHE . 96.6 p -66.01 -45.19 82.45 Favored 'General case' 0 C--O 1.227 -0.108 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 177.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 23.2 m -52.35 -44.39 65.18 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.202 0.91 . . . . 0.0 110.511 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 68.1 t -66.83 -47.81 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 122.992 0.517 . . . . 0.0 112.167 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -19.8 63.16 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 177.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 98.2 m -101.68 -2.63 29.85 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.134 2.174 . . . . 0.0 112.139 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.473 0.708 0 O-C-N 120.584 -1.322 . . . . 0.0 112.65 175.294 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.332 3.5 p . . . . . 0 N--CA 1.515 2.806 0 CA-C-O 116.909 -1.52 . . . . 0.0 112.92 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 m80 21.86 73.16 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 127.874 2.47 . . . . 0.0 114.527 -175.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.69 160.59 11.35 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.881 0.473 . . . . 0.0 111.41 -176.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p -62.75 150.67 86.48 Favored Pre-proline 0 N--CA 1.481 1.097 0 CA-C-O 118.29 -0.862 . . . . 0.0 109.071 168.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -53.09 -36.94 78.62 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.601 2.201 . . . . 0.0 114.336 173.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -64.34 -47.22 80.21 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.631 1.172 . . . . 0.0 112.16 173.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -72.0 -39.38 69.27 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.267 -0.896 . . . . 0.0 111.813 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.5 -45.3 73.24 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.677 1.191 . . . . 0.0 111.048 168.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.3 t -57.27 -51.64 68.53 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.505 1.048 . . . . 0.0 111.069 171.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.02 -50.09 64.94 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.913 0.885 . . . . 0.0 113.382 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.456 HG23 ' CE1' ' B' ' 130' ' ' TYR . 7.2 p -69.24 -57.51 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.431 -0.793 . . . . 0.0 112.369 174.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -68.5 -36.35 78.78 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 120.936 -1.103 . . . . 0.0 111.97 -167.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.63 -37.57 85.12 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.121 0.873 . . . . 0.0 112.035 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.53 -41.68 83.96 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.38 -0.825 . . . . 0.0 110.425 173.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -18.51 19.61 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 166.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.03 -34.31 42.47 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.966 1.27 . . . . 0.0 113.787 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.01 -15.15 19.17 Favored 'General case' 0 N--CA 1.483 1.225 0 CA-C-N 118.816 1.308 . . . . 0.0 114.211 174.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.51 142.34 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.527 1.131 . . . . 0.0 112.853 -177.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -91.53 90.45 7.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.076 0.95 . . . . 0.0 108.811 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.38 -38.68 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -167.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -62.1 -47.7 83.45 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 118.74 0.7 . . . . 0.0 112.686 173.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -82.79 -51.15 7.93 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 122.756 0.422 . . . . 0.0 110.967 -169.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.8 -32.56 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.45 -0.781 . . . . 0.0 111.67 172.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.21 -47.43 23.38 Favored Glycine 0 C--N 1.339 0.734 0 CA-C-N 119.216 0.917 . . . . 0.0 111.286 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.87 -38.46 95.39 Favored Glycine 0 N--CA 1.465 0.627 0 CA-C-N 117.807 0.804 . . . . 0.0 113.007 170.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -64.69 -42.32 95.4 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 117.815 -1.088 . . . . 0.0 111.832 170.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.591 ' HA ' HG11 ' B' ' 113' ' ' VAL . . . -65.34 -53.0 50.06 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 121.801 2.091 . . . . 0.0 112.657 178.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 tp -69.31 -34.01 74.04 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 118.503 -0.76 . . . . 0.0 111.245 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.94 -48.93 71.26 Favored Glycine 0 N--CA 1.466 0.675 0 CA-C-N 119.228 0.922 . . . . 0.0 112.082 171.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.408 ' HB3' HG13 ' B' ' 109' ' ' VAL . 0.4 OUTLIER -52.06 -37.57 54.16 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 118.776 1.288 . . . . 0.0 111.474 173.649 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' B' ' 106' ' ' LEU . 23.4 tp -52.46 -45.62 66.17 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.359 1.436 . . . . 0.0 112.216 174.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.663 HD13 HD12 ' B' ' 48' ' ' LEU . 6.9 mt -71.89 -32.78 67.77 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.143 1.777 . . . . 0.0 111.479 -176.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.95 -48.06 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 122.866 0.466 . . . . 0.0 111.633 174.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.27 -43.16 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.745 1.618 . . . . 0.0 110.62 -176.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -123.08 98.87 41.51 Favored Pre-proline 0 CA--C 1.537 0.451 0 C-N-CA 124.29 1.036 . . . . 0.0 110.992 174.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -67.34 -16.54 48.27 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.437 2.091 . . . . 0.0 113.106 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.28 -45.27 68.83 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.652 1.114 . . . . 0.0 110.753 170.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -14.47 9.25 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.485 1.514 . . . . 0.0 113.469 -176.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . 0.415 ' HG3' HD21 ' B' ' 48' ' ' LEU . 7.4 tt0 -53.15 -23.62 8.69 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.525 1.13 . . . . 0.0 113.531 170.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -39.49 64.74 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 121.574 1.988 . . . . 0.0 112.199 174.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -83.64 10.46 9.17 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 0.463 ' HB2' HD22 ' B' ' 48' ' ' LEU . 0.4 OUTLIER -61.04 -15.29 30.58 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 171.45 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.03 -27.49 19.83 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 118.972 0.805 . . . . 0.0 112.83 172.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -84.44 -41.69 16.38 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.987 0.915 . . . . 0.0 113.367 167.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -68.86 -26.67 65.25 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.45 -43.87 1.88 Allowed Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.523 1.535 . . . . 0.0 116.241 168.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -96.86 -111.87 0.14 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.644 1.222 . . . . 0.0 109.199 171.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.663 HD12 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER 58.19 -8.88 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -177.383 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.21 -15.39 2.3 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.799 2.04 . . . . 0.0 116.147 -169.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . 0.481 ' H ' ' HB3' ' B' ' 53' ' ' ALA . 18.9 p -139.88 162.08 52.56 Favored Pre-proline 0 N--CA 1.47 0.541 0 C-N-CA 127.351 2.261 . . . . 0.0 109.196 173.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.45 -43.66 55.6 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.726 2.284 . . . . 0.0 113.23 173.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.49 -43.01 99.85 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.451 -0.78 . . . . 0.0 111.829 174.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.481 ' HB3' ' H ' ' B' ' 50' ' ' THR . . . -57.92 -45.05 87.12 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.089 175.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.5 t -50.21 -47.46 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 CA-C-N 119.91 1.232 . . . . 0.0 112.549 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mmt -75.47 -27.86 59.03 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -174.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.69 -6.51 56.26 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.284 0.945 . . . . 0.0 115.164 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.6 112.37 5.17 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 125.929 1.692 . . . . 0.0 112.447 -173.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.94 -41.04 56.87 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.06 2.507 . . . . 0.0 113.625 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -63.4 -36.63 84.36 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.07 -1.019 . . . . 0.0 112.576 174.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 77.8 t -65.88 -36.7 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-N 120.284 1.402 . . . . 0.0 111.899 173.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -63.4 -51.45 65.77 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.211 0.914 . . . . 0.0 111.87 170.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.26 -44.13 97.24 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.24 1.016 . . . . 0.0 113.654 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -71.21 -34.57 70.97 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.272 1.429 . . . . 0.0 111.025 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.53 -43.49 98.79 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.724 1.63 . . . . 0.0 113.127 169.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -56.26 -45.19 80.17 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.203 1.002 . . . . 0.0 111.609 166.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.12 -51.87 67.77 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.216 0.916 . . . . 0.0 112.701 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 10.0 m -58.75 -40.02 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 119.58 1.082 . . . . 0.0 111.611 175.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 tt -71.6 -40.21 69.99 Favored 'General case' 0 C--O 1.223 -0.291 0 O-C-N 121.02 -1.05 . . . . 0.0 112.772 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.16 -40.68 52.39 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.381 0.991 . . . . 0.0 111.394 171.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.23 -49.32 72.39 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 169.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -57.56 -37.31 72.91 Favored 'General case' 0 CA--C 1.556 1.202 0 O-C-N 119.936 -1.728 . . . . 0.0 113.042 174.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 75.1 m -67.07 -46.13 75.23 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.715 1.606 . . . . 0.0 113.355 172.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -57.07 -27.39 61.69 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.844 0.747 . . . . 0.0 111.808 171.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.18 -60.73 7.16 Favored Glycine 0 C--N 1.34 0.787 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 168.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.62 -24.29 55.64 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.82 -15.43 41.99 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.702 1.601 . . . . 0.0 114.597 173.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -149.73 36.68 0.71 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -170.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 88.9 mt -56.66 -18.01 10.78 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.323 1.449 . . . . 0.0 114.672 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -55.01 -38.29 67.71 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.569 1.548 . . . . 0.0 113.496 177.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.9 87.25 0.93 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.587 1.155 . . . . 0.0 111.144 176.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.29 -44.43 96.54 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.778 -0.576 . . . . 0.0 111.735 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -61.19 -15.75 37.43 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 120.574 -1.329 . . . . 0.0 113.864 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.61 -14.59 49.67 Favored Glycine 0 CA--C 1.541 1.719 0 C-N-CA 125.99 1.757 . . . . 0.0 115.647 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.9 m -112.94 -26.59 8.44 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 118.861 1.33 . . . . 0.0 112.306 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -95.02 4.53 53.67 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.665 1.186 . . . . 0.0 113.23 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.1 -38.87 71.32 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.738 1.385 . . . . 0.0 114.738 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 7.2 p -67.28 -35.44 79.48 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.15 -0.969 . . . . 0.0 112.223 173.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 35.3 mt -77.48 -33.39 54.56 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 118.852 -0.594 . . . . 0.0 112.394 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 99.4 p -70.48 -38.4 74.38 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 120.632 1.56 . . . . 0.0 111.853 173.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.64 -47.03 87.2 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.719 -0.613 . . . . 0.0 112.041 166.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 46.9 tp -55.94 -53.81 52.38 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.924 -1.11 . . . . 0.0 111.646 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -80.91 24.45 0.5 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.708 1.203 . . . . 0.0 113.796 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 42.5 t -145.88 -63.0 0.32 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.646 0.778 . . . . 0.0 112.497 169.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.53 -36.19 78.49 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.679 -1.263 . . . . 0.0 113.102 -177.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.28 -35.6 12.36 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 174.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 17.1 mt -136.68 69.26 1.42 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.294 1.838 . . . . 0.0 109.943 -171.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -69.84 26.37 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 7.5 p -43.92 150.4 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 126.91 2.084 . . . . 0.0 111.514 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.28 128.46 1.71 Allowed Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 123.448 0.699 . . . . 0.0 112.14 171.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -64.59 -46.22 7.5 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 121.405 1.404 . . . . 0.0 110.943 -172.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.56 -40.26 0.84 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.42 1.888 . . . . 0.0 115.539 -177.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -56.79 -27.0 59.07 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . 0.415 ' CD2' ' HB1' ' B' ' 138' ' ' ALA . 0.0 OUTLIER -55.97 -38.38 70.31 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 120.343 1.429 . . . . 0.0 112.848 170.705 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -86.51 -37.96 17.71 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 125.1 1.36 . . . . 0.0 109.756 -176.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 94.6 mt -59.12 -46.82 87.35 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.901 170.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.428 ' HA ' HD13 ' B' ' 31' ' ' LEU . 5.0 tt -57.74 -45.12 86.26 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.415 1.007 . . . . 0.0 111.484 172.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -56.87 -53.84 41.2 Favored Glycine 0 CA--C 1.532 1.132 0 N-CA-C 115.087 0.795 . . . . 0.0 115.087 172.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.38 -23.81 63.78 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 120.783 -1.422 . . . . 0.0 112.189 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.408 HG13 ' HB3' ' B' ' 30' ' ' ARG . 23.7 t -68.56 -49.02 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 O-C-N 120.96 -1.087 . . . . 0.0 111.09 163.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 48.1 tp -54.43 -48.48 71.62 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 123.789 0.836 . . . . 0.0 110.466 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.556 HG12 ' HB3' ' B' ' 130' ' ' TYR . 3.1 m -60.94 -30.8 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 119.001 0.818 . . . . 0.0 112.278 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 9.1 t -76.59 -41.65 45.5 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.96 0.904 . . . . 0.0 112.253 -174.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . 0.591 HG11 ' HA ' ' B' ' 27' ' ' ALA . 0.1 OUTLIER -62.35 -39.9 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 O-C-N 120.907 -1.121 . . . . 0.0 112.236 172.75 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.65 -44.69 95.63 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.562 1.528 . . . . 0.0 109.193 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.08 -31.25 65.05 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 171.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -50.6 28.02 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.301 0.955 . . . . 0.0 112.682 173.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -74.71 -20.95 59.64 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -175.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -125.25 42.2 3.34 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.778 2.031 . . . . 0.0 110.903 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -53.5 -29.56 39.68 Favored Glycine 0 N--CA 1.474 1.207 0 C-N-CA 124.918 1.247 . . . . 0.0 115.829 -177.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -80.46 -2.23 44.99 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.914 1.286 . . . . 0.0 114.005 174.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -138.2 2.75 2.34 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.066 2.146 . . . . 0.0 113.361 -170.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -71.43 19.79 0.06 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 117.328 2.344 . . . . 0.0 117.328 -168.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 27.0 p -32.58 144.56 0.12 Allowed Pre-proline 0 N--CA 1.486 1.364 0 C-N-CA 127.827 2.451 . . . . 0.0 115.683 -157.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -42.85 -47.17 8.27 Favored 'Trans proline' 0 CA--C 1.552 1.383 0 C-N-CA 122.237 1.958 . . . . 0.0 115.753 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.83 -22.22 23.86 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.328 2.019 . . . . 0.0 115.822 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 1.1 t -51.14 -53.05 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 CA-C-N 121.705 2.048 . . . . 0.0 110.222 170.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -43.99 97.51 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.328 -0.858 . . . . 0.0 111.989 -178.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.32 96.99 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 121.817 -0.552 . . . . 0.0 112.466 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.55 81.25 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.2 0.6 . . . . 0.0 111.045 174.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.556 ' HB3' HG12 ' B' ' 111' ' ' VAL . 43.0 m-85 -56.52 -49.56 74.39 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 118.485 -0.769 . . . . 0.0 111.702 170.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -54.39 -37.04 64.56 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.722 1.147 . . . . 0.0 113.017 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -71.31 -41.7 69.57 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 120.642 1.565 . . . . 0.0 114.569 177.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 2.9 p -66.22 -43.01 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 CA-C-N 120.64 1.564 . . . . 0.0 111.113 171.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 28.6 t -58.63 -48.55 85.4 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 C-N-CA 124.464 1.106 . . . . 0.0 111.029 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.08 97.71 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.222 1.009 . . . . 0.0 112.158 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.17 -48.39 83.19 Favored Glycine 0 N--CA 1.471 0.982 0 O-C-N 121.76 -0.587 . . . . 0.0 112.978 175.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.11 -42.11 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 118.093 0.946 . . . . 0.0 111.127 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 138' ' ' ALA . . . . . 0.415 ' HB1' ' CD2' ' B' ' 103' ' ' PHE . . . -58.11 -47.02 84.55 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.341 1.056 . . . . 0.0 110.966 174.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -59.64 -37.79 79.62 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.242 -0.911 . . . . 0.0 112.604 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.64 96.53 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.741 0.701 . . . . 0.0 111.879 171.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.55 -39.78 92.34 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.892 1.223 . . . . 0.0 112.224 174.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.01 -10.01 50.23 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 172.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -60.9 -26.79 67.69 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 120.585 1.539 . . . . 0.0 114.204 -174.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -84.19 -13.34 53.03 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.212 1.005 . . . . 0.0 113.583 173.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 0.983 0 C-N-CA 125.984 1.714 . . . . 0.0 111.928 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.514 2.747 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -137.73 -177.23 4.71 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 121.552 1.978 . . . . 0.0 112.919 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.01 -163.4 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 126.182 1.793 . . . . 0.0 112.01 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -102.55 -38.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 123.159 2.573 . . . . 0.0 115.135 169.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.63 -32.21 71.92 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.633 -1.292 . . . . 0.0 112.77 -174.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -59.31 -48.65 80.84 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 125.051 1.341 . . . . 0.0 112.63 166.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -55.65 -49.07 73.86 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.042 0.837 . . . . 0.0 109.813 174.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 80.2 m -55.5 -50.12 70.77 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.51 0.724 . . . . 0.0 112.357 176.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -61.61 -39.57 91.73 Favored 'General case' 0 C--O 1.224 -0.268 0 O-C-N 121.659 -0.65 . . . . 0.0 112.236 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 41.5 t -65.32 -44.12 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 124.003 0.921 . . . . 0.0 111.402 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -61.63 -46.22 90.72 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.5 1.045 . . . . 0.0 111.389 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.68 -52.66 64.54 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.26 0.624 . . . . 0.0 111.365 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.54 -51.62 68.72 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.54 1.136 . . . . 0.0 111.787 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -66.37 -27.17 67.66 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.255 -0.903 . . . . 0.0 113.108 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.95 -41.48 94.33 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.339 0.971 . . . . 0.0 112.936 167.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -69.71 -35.0 74.68 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 118.388 1.094 . . . . 0.0 111.792 171.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' C' ' 21' ' ' ALA . 87.0 t -65.83 -26.97 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 125.008 1.323 . . . . 0.0 113.706 177.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -35.89 123.0 0.69 Allowed Glycine 0 CA--C 1.54 1.64 0 C-N-CA 125.196 1.379 . . . . 0.0 114.412 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 78.9 -39.29 0.23 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 129.163 2.985 . . . . 0.0 114.611 -173.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -75.37 -17.41 60.23 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.205 1.002 . . . . 0.0 113.608 175.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -38.48 -54.47 1.49 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 127.395 2.278 . . . . 0.0 114.501 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.38 -32.48 64.99 Favored Glycine 0 N--CA 1.466 0.634 0 O-C-N 121.755 -0.591 . . . . 0.0 114.106 -178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -59.31 -45.98 89.82 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.995 0.918 . . . . 0.0 109.489 170.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' TYR . . . . . 0.515 ' HA ' HG21 ' C' ' 108' ' ' THR . 13.0 m-30 -65.93 -39.88 90.9 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.62 -46.98 93.39 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 123.182 0.42 . . . . 0.0 112.671 171.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.44 -45.77 90.64 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 117.956 0.878 . . . . 0.0 112.076 177.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.09 -41.15 97.9 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.197 0.599 . . . . 0.0 112.326 174.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.12 -45.87 89.96 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.87 -0.519 . . . . 0.0 112.15 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 74.9 mt -56.36 -54.21 48.19 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.147 0.979 . . . . 0.0 110.996 175.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -58.27 -40.79 82.82 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.881 0.472 . . . . 0.0 111.9 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.5 ttm105 -61.58 -35.17 77.05 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 117.337 -1.316 . . . . 0.0 113.017 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 13.3 mtm -61.29 -45.98 92.23 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 120.434 1.47 . . . . 0.0 111.486 171.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -66.45 -15.8 63.61 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -111.27 -22.73 11.22 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.744 1.217 . . . . 0.0 113.336 174.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 82.4 p -80.08 -36.47 35.45 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.894 1.225 . . . . 0.0 113.53 172.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -130.51 80.33 70.43 Favored Pre-proline 0 CA--C 1.541 0.63 0 C-N-CA 127.574 2.35 . . . . 0.0 109.354 -175.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.39 -17.09 3.85 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 123.755 2.97 . . . . 0.0 115.686 175.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 5.6 p -54.61 -31.37 57.01 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.269 1.427 . . . . 0.0 113.987 166.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . 0.452 HG22 ' ND2' ' C' ' 97' ' ' ASN . 12.4 p -63.09 -39.1 93.71 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.779 1.627 . . . . 0.0 111.572 174.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -56.23 -37.54 69.87 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.735 1.614 . . . . 0.0 112.703 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.25 -24.69 66.56 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 177.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -67.73 -12.54 60.75 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.272 -0.893 . . . . 0.0 112.509 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 32.46 57.5 1.32 Allowed Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 127.208 2.203 . . . . 0.0 112.906 -177.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -77.91 64.07 8.2 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 124.243 3.295 . . . . 0.0 112.625 -162.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.29 3.4 p-80 49.45 20.67 0.49 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 128.734 2.814 . . . . 0.0 115.957 -168.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -111.87 149.24 32.12 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.181 1.392 . . . . 0.0 112.075 -173.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.34 -18.53 6.75 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.928 1.691 . . . . 0.0 113.34 -173.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt 51.72 38.08 21.94 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.634 1.574 . . . . 0.0 113.754 175.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 66.4 p -67.28 22.49 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 127.977 2.511 . . . . 0.0 117.003 -172.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 m80 73.48 114.16 0.06 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 128.653 2.781 . . . . 0.0 112.832 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.97 25.64 70.9 Favored Glycine 0 CA--C 1.539 1.583 0 O-C-N 121.535 -0.728 . . . . 0.0 113.988 -174.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 88.0 p -64.96 142.06 58.57 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.382 1.073 . . . . 0.0 113.365 -169.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.94 -33.23 75.24 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.549 -0.719 . . . . 0.0 112.636 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.5 -40.95 98.41 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 95.7 t -71.13 -44.4 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 CA-C-N 119.863 1.21 . . . . 0.0 111.326 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.9 -44.52 95.88 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 118.732 0.696 . . . . 0.0 111.973 174.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.22 -51.64 57.61 Favored Glycine 0 N--CA 1.47 0.962 0 C-N-CA 124.042 0.829 . . . . 0.0 112.32 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -58.65 -41.51 86.21 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.654 -0.91 . . . . 0.0 111.724 174.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.84 -49.68 46.97 Favored Glycine 0 CA--C 1.532 1.117 0 O-C-N 121.537 -0.727 . . . . 0.0 113.277 170.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -44.6 87.39 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.355 1.078 . . . . 0.0 112.159 173.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -59.43 -54.19 49.5 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 119.499 1.045 . . . . 0.0 111.939 175.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 86.3 t -53.77 -42.0 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.112 0.965 . . . . 0.0 110.751 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 63' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -65.8 -45.62 81.69 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 176.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -61.6 -35.59 78.28 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 120.098 1.317 . . . . 0.0 112.387 174.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.59 98.47 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.281 -0.887 . . . . 0.0 112.382 169.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.0 -43.21 86.52 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 118.92 -0.562 . . . . 0.0 111.334 170.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 21.1 m -59.12 -45.57 90.56 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.928 1.24 . . . . 0.0 111.877 173.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -34.39 78.3 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.575 1.079 . . . . 0.0 111.824 177.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.65 -48.77 79.32 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.033 169.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 97.1 t -56.79 -45.53 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 120.091 1.314 . . . . 0.0 111.463 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.59 -25.29 67.24 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -141.11 31.65 1.76 Allowed 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 124.236 1.014 . . . . 0.0 112.74 -167.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 6.3 p -61.24 -16.19 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 119.352 -2.093 . . . . 0.0 115.879 -162.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -102.17 -0.27 33.47 Favored 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 172.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -130.82 -0.67 4.25 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 128.216 2.606 . . . . 0.0 113.301 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -60.77 -15.86 0.31 Allowed Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 117.357 2.354 . . . . 0.0 117.357 -177.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -47.51 -29.43 10.31 Favored 'Trans proline' 0 C--N 1.358 1.046 0 CA-C-N 123.667 2.345 . . . . 0.0 115.69 163.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.48 -40.12 15.61 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.231 0.923 . . . . 0.0 113.14 170.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.73 -24.81 61.03 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 80.1 mt -97.35 2.65 50.83 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.975 1.31 . . . . 0.0 112.625 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -53.84 -40.86 66.83 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 120.066 1.303 . . . . 0.0 113.932 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.73 -15.47 29.64 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 175.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mt -109.41 -31.27 7.59 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.399 1.88 . . . . 0.0 111.092 -172.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 14.6 m -56.19 -42.46 77.18 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 119.255 -0.402 . . . . 0.0 110.353 153.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -61.97 -32.09 72.5 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.573 1.079 . . . . 0.0 112.968 172.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.2 -66.1 0.56 Allowed 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.052 1.297 . . . . 0.0 108.716 162.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -61.11 -10.12 5.75 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 -173.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.9 -11.7 7.61 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.667 1.587 . . . . 0.0 114.715 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -134.69 -1.51 2.76 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 120.065 1.302 . . . . 0.0 114.359 175.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.81 98.62 2.21 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.822 1.249 . . . . 0.0 112.092 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 7.6 mt 69.93 81.22 0.17 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.349 1.459 . . . . 0.0 110.942 -175.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -63.63 -6.03 4.81 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 116.148 1.907 . . . . 0.0 116.148 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 24.7 t -1.58 114.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 130.001 3.32 . . . . 0.0 115.216 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -34.81 124.09 0.55 Allowed Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 124.976 1.311 . . . . 0.0 112.783 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -43.0 -13.16 0.04 OUTLIER 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 125.0 3.8 . . . . 0.0 116.965 168.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 5.4 p -42.28 -40.63 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 121.138 1.79 . . . . 0.0 112.808 161.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 97' ' ' ASN . . . . . 0.452 ' ND2' HG22 ' C' ' 39' ' ' THR . 27.0 m120 -73.68 -25.52 60.29 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 117.67 -1.157 . . . . 0.0 113.018 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -57.82 -52.62 64.7 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 120.124 1.329 . . . . 0.0 109.038 166.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -55.9 -38.07 69.71 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.011 0.924 . . . . 0.0 111.623 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 78.2 mt -69.7 -47.86 61.67 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 119.011 -0.519 . . . . 0.0 111.388 175.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.84 -42.94 98.76 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.332 0.969 . . . . 0.0 112.274 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 82.0 p -68.19 -45.95 72.01 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.211 0.914 . . . . 0.0 112.179 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -64.59 -44.44 90.65 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.514 1.052 . . . . 0.0 111.86 172.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 62.9 m -62.09 -38.65 89.65 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.186 -0.946 . . . . 0.0 112.446 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 22.1 mt -59.74 -54.8 42.08 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.705 1.139 . . . . 0.0 110.768 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 46.2 mt -49.45 -43.58 45.05 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.814 1.188 . . . . 0.0 111.746 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.91 -42.82 97.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 123.776 0.83 . . . . 0.0 112.321 175.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 108' ' ' THR . . . . . 0.515 HG21 ' HA ' ' C' ' 24' ' ' TYR . 3.0 m -63.79 -45.89 87.64 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.275 1.398 . . . . 0.0 112.482 171.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.11 -48.48 75.93 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.925 -0.56 . . . . 0.0 109.649 -177.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -48.77 -44.5 38.85 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.97 0.908 . . . . 0.0 113.09 171.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.1 -38.5 56.83 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -116.36 -34.67 4.54 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -168.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 3.1 tt -73.13 125.33 91.03 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 171.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -70.88 71.95 2.04 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.245 2.63 . . . . 0.0 111.128 171.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.23 11.52 0.22 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.832 2.053 . . . . 0.0 113.461 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 49.68 21.23 0.62 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.413 2.285 . . . . 0.0 113.775 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 13.9 p90 36.94 27.08 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.454 2.302 . . . . 0.0 115.572 -165.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.92 155.23 92.25 Favored Pre-proline 0 N--CA 1.479 0.976 0 O-C-N 120.507 -1.37 . . . . 0.0 111.815 -173.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.87 -46.86 5.77 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.076 1.851 . . . . 0.0 110.968 173.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.07 98.93 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 118.939 -0.553 . . . . 0.0 112.092 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 90.4 t -65.94 -41.92 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 120.172 1.351 . . . . 0.0 112.348 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -37.55 87.88 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.351 0.978 . . . . 0.0 112.218 173.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.58 -55.24 37.62 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 117.969 0.349 . . . . 0.0 110.525 171.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 15.8 m -56.97 -48.04 79.33 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.469 1.508 . . . . 0.0 112.74 -177.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.87 -43.94 91.33 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.588 0.631 . . . . 0.0 111.916 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.44 -54.91 33.28 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.548 1.067 . . . . 0.0 112.022 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -27.92 67.96 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -66.42 -49.9 65.21 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.94 0.791 . . . . 0.0 111.442 169.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.15 -32.55 68.29 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.148 -0.97 . . . . 0.0 111.749 174.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.9 -32.91 73.72 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 171.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 93.1 p -74.01 -42.5 60.27 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.125 -1.609 . . . . 0.0 111.301 170.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 94.0 t -53.59 -50.27 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.961 0.904 . . . . 0.0 110.385 173.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 133' ' ' SER . . . . . 0.412 ' CB ' ' CD1' ' C' ' 98' ' ' PHE . 96.1 p -66.17 -45.04 82.31 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 177.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 23.2 m -52.45 -44.38 65.48 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.221 0.919 . . . . 0.0 110.567 175.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.94 -47.53 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 123.012 0.525 . . . . 0.0 112.289 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -19.98 63.19 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 177.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 98.5 m -101.79 -2.56 29.81 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.1 2.16 . . . . 0.0 112.172 177.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 CA--C 1.544 0.745 0 O-C-N 120.569 -1.332 . . . . 0.0 112.601 175.324 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.33 3.6 p . . . . . 0 N--CA 1.516 2.839 0 CA-C-O 116.79 -1.576 . . . . 0.0 112.881 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 m80 21.81 73.17 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 127.841 2.456 . . . . 0.0 114.61 -175.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.51 160.55 10.98 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.953 0.501 . . . . 0.0 111.391 -176.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p -62.81 150.82 86.45 Favored Pre-proline 0 N--CA 1.48 1.049 0 CA-C-O 118.297 -0.859 . . . . 0.0 109.071 168.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -53.32 -36.85 80.03 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 122.687 2.258 . . . . 0.0 114.201 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -64.29 -47.35 79.86 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.66 1.184 . . . . 0.0 112.086 173.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -71.94 -39.56 69.35 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 121.183 -0.948 . . . . 0.0 111.746 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -45.3 72.71 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 117.732 -1.127 . . . . 0.0 111.109 168.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 24.2 t -57.18 -51.77 68.0 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.603 1.092 . . . . 0.0 111.085 171.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.05 -49.96 65.28 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 11' ' ' VAL . . . . . 0.448 HG23 ' CE1' ' D' ' 130' ' ' TYR . 7.3 p -69.37 -57.55 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 121.494 -0.754 . . . . 0.0 112.287 174.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 4.3 m -68.35 -36.38 79.16 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.008 -1.058 . . . . 0.0 111.961 -167.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.68 -37.49 84.86 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.146 0.885 . . . . 0.0 111.992 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.74 -41.64 83.11 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.387 -0.821 . . . . 0.0 110.362 173.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -18.62 19.44 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 166.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.03 -34.08 43.23 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.991 1.281 . . . . 0.0 113.791 174.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.1 -15.24 19.07 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 118.866 1.333 . . . . 0.0 114.189 174.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.61 142.32 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.419 1.088 . . . . 0.0 112.885 -177.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -91.41 90.31 7.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.069 0.948 . . . . 0.0 108.873 177.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.18 -38.76 62.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -167.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -62.17 -47.74 83.15 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.702 0.683 . . . . 0.0 112.562 173.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -82.86 -50.98 8.06 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 122.66 0.384 . . . . 0.0 111.044 -169.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -32.79 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 O-C-N 121.552 -0.718 . . . . 0.0 111.657 172.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.03 -47.32 24.84 Favored Glycine 0 C--N 1.34 0.79 0 CA-C-N 119.18 0.9 . . . . 0.0 111.475 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.0 -38.5 95.61 Favored Glycine 0 N--CA 1.466 0.693 0 CA-C-N 117.774 0.787 . . . . 0.0 112.944 170.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -64.51 -42.49 95.76 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 117.847 -1.073 . . . . 0.0 111.857 170.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' ALA . . . . . 0.588 ' HA ' HG11 ' D' ' 113' ' ' VAL . . . -65.07 -53.15 50.13 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 121.867 2.121 . . . . 0.0 112.693 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.3 -34.05 74.1 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 118.494 -0.765 . . . . 0.0 111.264 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.88 -48.92 71.74 Favored Glycine 0 N--CA 1.465 0.568 0 CA-C-N 119.263 0.938 . . . . 0.0 112.235 171.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' ARG . . . . . 0.404 ' HB3' HG13 ' D' ' 109' ' ' VAL . 0.4 OUTLIER -51.74 -37.68 52.16 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 118.687 1.244 . . . . 0.0 111.591 173.383 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' D' ' 106' ' ' LEU . 23.4 tp -52.51 -45.63 66.31 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.327 1.421 . . . . 0.0 112.293 175.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . 0.671 HD13 HD12 ' D' ' 48' ' ' LEU . 6.9 mt -71.83 -32.95 68.06 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.116 1.766 . . . . 0.0 111.395 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.79 -48.06 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 118.29 0.496 . . . . 0.0 111.678 174.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.28 -43.06 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.812 1.645 . . . . 0.0 110.607 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -123.32 99.0 40.59 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 124.255 1.022 . . . . 0.0 110.97 174.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -67.44 -16.4 47.5 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.377 2.051 . . . . 0.0 113.102 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -45.26 69.15 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.608 1.094 . . . . 0.0 110.705 170.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.99 -14.34 9.06 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.56 1.544 . . . . 0.0 113.479 -176.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' GLN . . . . . 0.403 ' HG3' HD21 ' D' ' 48' ' ' LEU . 7.3 tt0 -53.25 -23.63 9.35 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.634 1.174 . . . . 0.0 113.366 170.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -39.63 64.66 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 121.772 2.078 . . . . 0.0 112.112 173.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -83.6 10.36 9.33 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 42' ' ' PHE . . . . . 0.463 ' HB2' HD22 ' D' ' 48' ' ' LEU . 0.4 OUTLIER -61.01 -15.26 29.86 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 171.457 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -52.82 -27.71 19.44 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 119.078 0.854 . . . . 0.0 112.814 172.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -84.37 -41.8 16.36 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.073 0.949 . . . . 0.0 113.268 167.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -69.07 -26.45 64.96 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.39 -43.92 1.87 Allowed Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.488 1.518 . . . . 0.0 116.348 168.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -96.93 -111.93 0.15 Allowed 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.629 1.214 . . . . 0.0 109.097 171.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 48' ' ' LEU . . . . . 0.671 HD12 HD13 ' D' ' 32' ' ' LEU . 0.0 OUTLIER 58.39 -9.0 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 116.069 1.877 . . . . 0.0 116.069 -177.423 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.29 -15.34 2.37 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.799 2.039 . . . . 0.0 116.204 -169.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 50' ' ' THR . . . . . 0.491 ' H ' ' HB3' ' D' ' 53' ' ' ALA . 19.3 p -140.0 162.14 51.99 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 127.228 2.211 . . . . 0.0 109.092 173.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.47 -43.62 56.01 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.743 2.295 . . . . 0.0 113.192 173.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.42 -43.08 99.68 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.528 -0.733 . . . . 0.0 111.936 174.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 53' ' ' ALA . . . . . 0.491 ' HB3' ' H ' ' D' ' 50' ' ' THR . . . -57.94 -44.98 87.27 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.071 175.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 38.6 t -50.16 -47.58 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 CA-C-N 119.92 1.236 . . . . 0.0 112.578 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mmt -75.42 -27.8 59.13 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -174.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.75 -6.42 56.24 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.202 0.906 . . . . 0.0 115.205 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.72 112.39 5.25 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 125.88 1.672 . . . . 0.0 112.416 -173.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.91 -41.15 56.21 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.133 2.556 . . . . 0.0 113.611 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -63.4 -36.56 84.13 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.976 -1.077 . . . . 0.0 112.553 174.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.96 -36.73 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 CA-C-N 120.408 1.458 . . . . 0.0 111.813 173.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -63.43 -51.38 65.97 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 119.303 0.956 . . . . 0.0 111.917 170.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.55 96.48 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.45 1.1 . . . . 0.0 113.612 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -70.97 -34.52 71.5 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.38 1.472 . . . . 0.0 111.076 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.59 -43.59 98.76 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 125.826 1.679 . . . . 0.0 113.051 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -56.31 -44.75 80.21 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.277 1.039 . . . . 0.0 111.675 166.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -52.11 66.64 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.261 0.937 . . . . 0.0 112.572 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 9.5 m -58.75 -39.87 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.681 1.128 . . . . 0.0 111.615 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 tt -71.65 -40.33 69.74 Favored 'General case' 0 C--O 1.222 -0.36 0 O-C-N 120.959 -1.088 . . . . 0.0 112.704 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.98 -40.61 50.93 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 124.35 0.976 . . . . 0.0 111.498 171.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.28 -49.46 71.76 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 169.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -57.6 -37.24 72.91 Favored 'General case' 0 CA--C 1.556 1.206 0 O-C-N 119.85 -1.781 . . . . 0.0 113.046 174.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 75.3 m -66.93 -46.26 75.33 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.777 1.631 . . . . 0.0 113.483 172.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -56.9 -27.49 60.8 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.891 0.769 . . . . 0.0 111.86 171.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.24 -60.78 7.07 Favored Glycine 0 C--N 1.34 0.768 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 168.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.62 -24.09 54.59 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.92 -15.46 41.59 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.733 1.613 . . . . 0.0 114.569 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -149.64 36.51 0.72 Allowed 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -170.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 89.0 mt -56.55 -18.11 10.67 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.429 1.492 . . . . 0.0 114.755 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -54.89 -38.35 67.44 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.627 1.571 . . . . 0.0 113.511 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.89 87.25 0.93 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.632 1.173 . . . . 0.0 111.158 176.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.47 -44.32 96.67 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.705 -0.622 . . . . 0.0 111.7 175.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -61.08 -15.9 37.93 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 120.557 -1.339 . . . . 0.0 113.82 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.66 -14.46 49.98 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 126.008 1.766 . . . . 0.0 115.637 176.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.9 m -113.09 -26.38 8.48 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 118.851 1.326 . . . . 0.0 112.403 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -95.23 4.75 53.2 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.563 1.145 . . . . 0.0 113.122 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.23 -38.91 71.73 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 7.1 p -67.22 -35.45 79.6 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.186 -0.947 . . . . 0.0 112.223 173.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 35.8 mt -77.39 -33.54 55.08 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 118.963 -0.541 . . . . 0.0 112.374 176.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 99.5 p -70.43 -38.54 74.57 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 120.491 1.496 . . . . 0.0 111.723 173.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.47 -47.2 86.42 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.031 0.533 . . . . 0.0 112.078 166.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 47.1 tp -55.79 -53.78 52.5 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 120.908 -1.12 . . . . 0.0 111.747 175.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -80.95 24.43 0.5 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.638 1.175 . . . . 0.0 113.831 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 42.5 t -145.73 -63.1 0.33 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.615 0.766 . . . . 0.0 112.46 169.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.56 -36.22 78.47 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.817 -1.177 . . . . 0.0 113.111 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.24 -35.5 12.43 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 174.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 17.1 mt -136.7 69.15 1.42 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.329 1.852 . . . . 0.0 109.986 -172.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -69.68 26.08 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.1 0 O-C-N 120.714 -1.241 . . . . 0.0 114.343 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 7.4 p -43.79 150.37 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 126.944 2.098 . . . . 0.0 111.568 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.34 128.38 1.74 Allowed Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 123.535 0.734 . . . . 0.0 112.155 171.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.57 -46.07 7.8 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 121.363 1.375 . . . . 0.0 110.973 -172.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.67 -40.04 0.85 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.381 1.872 . . . . 0.0 115.66 -177.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -56.91 -26.95 60.24 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 103' ' ' PHE . . . . . 0.415 ' CD2' ' HB1' ' D' ' 138' ' ' ALA . 0.0 OUTLIER -56.19 -38.27 70.73 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 120.311 1.414 . . . . 0.0 112.907 170.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -86.47 -38.05 17.68 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 125.244 1.418 . . . . 0.0 109.733 -176.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.27 -46.6 88.09 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.906 170.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . 0.423 ' HA ' HD13 ' D' ' 31' ' ' LEU . 5.0 tt -57.74 -45.15 86.22 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.408 1.004 . . . . 0.0 111.517 172.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.02 -53.64 42.98 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 115.029 0.772 . . . . 0.0 115.029 172.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.42 -23.95 63.77 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.668 -1.489 . . . . 0.0 112.195 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 109' ' ' VAL . . . . . 0.404 HG13 ' HB3' ' D' ' 30' ' ' ARG . 23.5 t -68.68 -48.82 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 121.037 -1.039 . . . . 0.0 111.087 163.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 48.5 tp -54.51 -48.44 71.91 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 123.737 0.815 . . . . 0.0 110.445 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 111' ' ' VAL . . . . . 0.549 HG12 ' HB3' ' D' ' 130' ' ' TYR . 3.1 m -60.85 -30.89 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 119.068 0.849 . . . . 0.0 112.113 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 9.2 t -76.66 -41.61 44.97 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.003 0.921 . . . . 0.0 112.305 -174.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 113' ' ' VAL . . . . . 0.588 HG11 ' HA ' ' D' ' 27' ' ' ALA . 0.1 OUTLIER -62.35 -40.06 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 O-C-N 120.952 -1.093 . . . . 0.0 112.101 172.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -44.87 95.41 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.712 1.597 . . . . 0.0 109.14 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.21 -30.78 64.85 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 171.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.26 -50.43 27.3 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.29 0.95 . . . . 0.0 112.576 173.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -74.81 -20.88 59.6 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.323 0.861 . . . . 0.0 113.323 -175.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -125.32 42.34 3.31 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.736 2.015 . . . . 0.0 110.857 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -53.59 -29.46 40.13 Favored Glycine 0 N--CA 1.476 1.327 0 C-N-CA 124.81 1.195 . . . . 0.0 115.828 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -80.39 -2.25 44.78 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.828 1.251 . . . . 0.0 114.081 174.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -138.11 2.69 2.35 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 127.061 2.145 . . . . 0.0 113.294 -170.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -71.55 20.13 0.06 Allowed 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -168.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 26.9 p -32.69 144.39 0.13 Allowed Pre-proline 0 N--CA 1.487 1.395 0 C-N-CA 127.692 2.397 . . . . 0.0 115.737 -158.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -42.89 -46.88 8.5 Favored 'Trans proline' 0 CA--C 1.55 1.29 0 C-N-CA 122.08 1.854 . . . . 0.0 115.864 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.76 -22.51 23.71 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.397 2.065 . . . . 0.0 115.774 173.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 1.1 t -51.14 -52.9 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 121.647 2.021 . . . . 0.0 110.337 170.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -43.99 97.47 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 121.366 -0.834 . . . . 0.0 112.022 -178.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.35 97.07 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 121.75 -0.594 . . . . 0.0 112.346 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.67 80.77 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.263 0.625 . . . . 0.0 110.905 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 130' ' ' TYR . . . . . 0.549 ' HB3' HG12 ' D' ' 111' ' ' VAL . 42.8 m-85 -56.6 -49.33 75.26 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 118.469 -0.777 . . . . 0.0 111.73 170.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -54.4 -37.18 64.77 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.741 1.155 . . . . 0.0 112.966 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -71.24 -41.81 69.67 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.613 1.551 . . . . 0.0 114.523 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 2.8 p -66.22 -42.88 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 CA-C-N 120.587 1.54 . . . . 0.0 111.117 171.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 29.0 t -58.66 -48.67 85.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 C-N-CA 124.453 1.101 . . . . 0.0 110.922 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.97 97.9 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.272 1.029 . . . . 0.0 112.138 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.16 -48.57 82.04 Favored Glycine 0 N--CA 1.471 0.974 0 O-C-N 121.741 -0.599 . . . . 0.0 112.882 175.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -42.12 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.118 0.959 . . . . 0.0 111.128 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 138' ' ' ALA . . . . . 0.415 ' HB1' ' CD2' ' D' ' 103' ' ' PHE . . . -58.1 -47.02 84.5 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.301 1.04 . . . . 0.0 111.057 174.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -59.51 -37.92 79.56 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.328 -0.857 . . . . 0.0 112.699 173.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.35 -43.72 96.9 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.657 0.662 . . . . 0.0 111.988 171.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 15.3 mt -61.47 -39.97 92.84 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.714 1.143 . . . . 0.0 112.197 174.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.95 -9.88 48.86 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 172.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -61.01 -26.68 67.78 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.566 1.53 . . . . 0.0 114.179 -174.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -84.3 -13.25 52.95 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.136 0.975 . . . . 0.0 113.524 173.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -95.58 -33.22 12.47 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.016 1.726 . . . . 0.0 111.923 179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.254 1.333 0 C-N-CA 129.832 3.253 . . . . 0.0 117.69 174.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.253 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.684 HD13 HG22 ' A' ' 73' ' ' VAL . 1.4 mp -125.53 -134.54 0.26 Allowed 'General case' 0 CA--C 1.56 1.336 0 CA-C-N 122.68 2.491 . . . . 0.0 110.202 -171.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m 124.9 -30.07 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.98 0 C-N-CA 130.863 3.665 . . . . 0.0 117.099 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -57.87 -173.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 124.814 3.676 . . . . 0.0 116.652 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.24 -28.51 1.95 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.596 1.558 . . . . 0.0 114.587 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -57.4 -45.59 84.38 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.34 -0.85 . . . . 0.0 113.023 169.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.46 -49.65 64.23 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 120.368 1.44 . . . . 0.0 109.869 171.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.1 m -57.5 -43.43 84.19 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.764 0.711 . . . . 0.0 111.166 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -63.67 -37.67 88.24 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.629 0.772 . . . . 0.0 112.478 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.19 -47.26 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 119.645 1.111 . . . . 0.0 111.558 171.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -43.98 94.49 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 119.74 1.155 . . . . 0.0 110.855 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.21 -56.48 21.57 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.997 0.919 . . . . 0.0 110.467 173.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.421 ' HB1' HD11 ' A' ' 113' ' ' LEU . . . -53.65 -52.49 59.78 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.406 1.082 . . . . 0.0 112.053 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -65.9 -27.04 67.9 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 178.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.98 -38.04 95.41 Favored Glycine 0 CA--C 1.535 1.338 0 O-C-N 121.289 -0.882 . . . . 0.0 112.834 168.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -67.51 -40.51 85.13 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 117.906 0.853 . . . . 0.0 111.311 169.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.5 t -60.35 -48.15 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.187 0.995 . . . . 0.0 112.369 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 35.62 -119.14 0.4 Allowed Glycine 0 CA--C 1.539 1.594 0 C-N-CA 125.115 1.34 . . . . 0.0 114.919 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.1 -25.44 66.22 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -68.28 -14.56 63.08 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.296 1.039 . . . . 0.0 113.085 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.536 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -42.14 -48.97 4.87 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.977 1.311 . . . . 0.0 113.951 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.26 -31.86 65.83 Favored Glycine 0 C--N 1.338 0.64 0 CA-C-O 118.784 -1.009 . . . . 0.0 113.639 -177.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.26 -41.77 96.78 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.503 1.152 . . . . 0.0 109.995 172.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -67.17 -39.89 86.53 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 120.851 -1.156 . . . . 0.0 113.048 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.49 -48.24 86.0 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-N 118.741 0.701 . . . . 0.0 112.237 172.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.72 -51.6 68.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.308 1.043 . . . . 0.0 111.715 176.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -25.44 66.4 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.877 0.871 . . . . 0.0 113.008 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.78 -43.48 58.81 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.242 0.928 . . . . 0.0 111.725 174.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.5 mt -58.57 -47.92 82.67 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.743 0.817 . . . . 0.0 111.105 174.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -59.54 -48.33 82.06 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 119.274 -0.394 . . . . 0.0 111.633 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.17 -47.35 68.87 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.959 0.904 . . . . 0.0 112.968 172.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.569 ' HG2' HG21 ' A' ' 39' ' ' THR . 39.6 ttp -58.95 -43.01 91.18 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.517 0.599 . . . . 0.0 111.975 176.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -59.21 -56.11 26.28 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.808 0.731 . . . . 0.0 111.866 175.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.61 -23.98 61.01 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -174.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.8 p -82.6 -29.5 30.14 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.892 1.224 . . . . 0.0 113.612 172.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.49 ' O ' HG22 ' A' ' 39' ' ' THR . 14.4 m-85 -140.44 67.46 31.07 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 126.085 1.754 . . . . 0.0 110.841 -175.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -61.63 -22.01 73.42 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.882 2.388 . . . . 0.0 114.37 -170.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.7 p -55.59 -33.68 64.14 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.348 1.459 . . . . 0.0 113.318 168.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.569 HG21 ' HG2' ' A' ' 32' ' ' MET . 3.9 t -56.07 -30.54 62.14 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.525 1.13 . . . . 0.0 113.567 175.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -59.49 -30.91 68.89 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.172 1.389 . . . . 0.0 113.022 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 t -61.19 -24.42 66.3 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.534 ' CE1' ' HA ' ' A' ' 93' ' ' VAL . 0.1 OUTLIER -66.3 -15.23 63.07 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 175.01 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -146.52 84.35 7.8 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 124.285 1.034 . . . . 0.0 111.813 175.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -74.01 44.28 0.96 Allowed 'Trans proline' 0 CA--C 1.554 1.494 1 C-N-CA 125.538 4.159 . . . . 0.0 114.295 -174.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -160.55 91.06 0.89 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.689 2.396 . . . . 0.0 108.404 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -176.67 116.34 0.11 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.046 1.338 . . . . 0.0 110.225 167.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.507 ' HB2' HE22 ' A' ' 54' ' ' GLN . 7.2 m-20 -70.08 121.32 17.24 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.23 -0.919 . . . . 0.0 109.593 164.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.4 mt -106.83 25.73 10.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.592 1.157 . . . . 0.0 112.123 -175.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.8 p -57.0 153.33 11.46 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.649 1.18 . . . . 0.0 112.362 175.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -59.44 122.27 13.56 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.652 -0.655 . . . . 0.0 110.599 176.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.98 18.47 72.28 Favored Glycine 0 CA--C 1.539 1.557 0 CA-C-O 118.931 -0.927 . . . . 0.0 114.923 -175.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -47.18 123.15 5.11 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.081 1.44 . . . . 0.0 113.61 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.68 -18.08 61.74 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.449 1.099 . . . . 0.0 113.639 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.507 HE22 ' HB2' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -89.57 -41.54 11.94 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.405 1.002 . . . . 0.0 111.702 173.517 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.1 t -63.12 -38.48 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 O-C-N 121.425 -0.797 . . . . 0.0 111.461 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.79 -41.63 97.97 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 119.355 0.979 . . . . 0.0 113.512 171.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.28 -42.38 50.08 Favored Glycine 0 N--CA 1.474 1.215 0 C-N-CA 124.026 0.822 . . . . 0.0 112.386 -177.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -61.68 -44.22 97.36 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.858 -0.789 . . . . 0.0 110.694 168.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -49.92 -52.78 24.84 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 121.121 -0.987 . . . . 0.0 113.685 172.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -55.5 -35.67 65.84 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 118.858 1.329 . . . . 0.0 113.037 174.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -70.84 -49.75 42.86 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.431 1.093 . . . . 0.0 113.539 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 49.0 t -54.65 -41.13 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 O-C-N 120.923 -1.111 . . . . 0.0 110.729 171.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.536 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -60.51 -49.96 75.45 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 173.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -34.68 75.09 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 120.377 1.444 . . . . 0.0 111.845 177.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.85 97.96 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 170.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.56 -43.11 97.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 118.023 -0.989 . . . . 0.0 111.3 171.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.4 m -56.38 -49.02 75.67 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.554 1.524 . . . . 0.0 111.921 170.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -29.76 70.18 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.504 1.502 . . . . 0.0 112.439 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.55 -50.43 51.98 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 118.899 0.772 . . . . 0.0 110.961 170.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.0 t -58.19 -43.41 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 120.059 1.3 . . . . 0.0 111.423 177.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.85 -24.72 67.93 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.018 1.327 . . . . 0.0 113.593 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -138.68 34.02 2.22 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 124.26 1.024 . . . . 0.0 111.142 -173.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.684 HG22 HD13 ' A' ' 2' ' ' LEU . 5.9 p -57.58 -20.5 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 O-C-N 120.719 -1.238 . . . . 0.0 113.712 -167.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -111.38 -0.69 16.23 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.538 1.535 . . . . 0.0 114.379 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.77 23.2 5.0 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 129.405 3.082 . . . . 0.0 110.162 -172.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -109.12 30.02 0.08 OUTLIER Pre-proline 0 CA--C 1.547 0.827 0 C-N-CA 125.895 1.678 . . . . 0.0 114.577 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -64.85 -22.82 63.01 Favored 'Trans proline' 0 C--N 1.355 0.885 0 CA-C-N 123.657 2.342 . . . . 0.0 113.268 -174.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.88 5.94 2.4 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.293 1.437 . . . . 0.0 113.527 175.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -27.06 66.48 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.001 -1.687 . . . . 0.0 113.303 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.6 mt -93.17 5.42 51.56 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.056 0.942 . . . . 0.0 112.01 173.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.6 m -60.85 -36.97 80.51 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 120.14 1.336 . . . . 0.0 113.742 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.5 -32.38 70.22 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.893 1.224 . . . . 0.0 112.291 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.76 -44.64 48.67 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.771 0.828 . . . . 0.0 110.061 173.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.7 t -54.46 -44.05 72.21 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.12 0.418 . . . . 0.0 111.63 172.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -60.14 -42.07 94.07 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.636 -1.29 . . . . 0.0 112.759 175.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tp -59.15 -59.38 5.55 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.646 -1.284 . . . . 0.0 111.4 170.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -69.76 -28.58 65.89 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.235 -0.915 . . . . 0.0 113.275 -173.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.08 -14.11 18.73 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.577 1.551 . . . . 0.0 114.167 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -124.99 -48.86 1.74 Allowed 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.701 1.137 . . . . 0.0 113.518 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -67.87 -34.71 77.21 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 119.897 1.226 . . . . 0.0 112.217 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.9 mt -118.78 -26.17 6.15 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.424 ' HE ' ' HA ' ' D' ' 40' ' ' ARG 0.327 1.3 mtt-85 42.1 53.18 4.35 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 127.806 2.442 . . . . 0.0 114.156 -170.843 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.534 ' HA ' ' CE1' ' A' ' 42' ' ' TYR . 72.1 t -76.84 125.89 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 127.361 2.265 . . . . 0.0 112.317 177.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -51.55 125.55 28.09 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 125.371 1.468 . . . . 0.0 111.052 164.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -39.41 -23.98 0.1 Allowed 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 124.806 3.671 . . . . 0.0 116.775 168.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.5 p -46.11 -42.02 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 120.494 1.497 . . . . 0.0 113.148 171.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -65.39 -33.77 76.73 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.171 -0.955 . . . . 0.0 112.537 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -55.97 -47.34 77.83 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 119.377 0.99 . . . . 0.0 109.178 171.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -56.09 -43.45 78.04 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.786 0.721 . . . . 0.0 110.356 -176.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.0 mt -63.02 -55.03 29.17 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.085 0.954 . . . . 0.0 111.008 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 23.3 tp -56.17 -43.23 78.18 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.482 0.713 . . . . 0.0 112.606 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.4 t -66.53 -44.45 82.42 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.382 1.473 . . . . 0.0 112.828 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -57.01 -46.98 81.93 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.596 -0.69 . . . . 0.0 111.22 169.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 74.4 m -65.55 -33.89 76.98 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 118.522 -0.751 . . . . 0.0 112.891 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.84 -50.78 70.89 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 119.708 1.14 . . . . 0.0 110.866 167.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.8 mt -53.0 -40.58 63.91 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 120.181 1.355 . . . . 0.0 112.038 175.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.5 t -60.8 -53.23 51.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 118.881 -0.58 . . . . 0.0 112.423 171.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.2 p -68.57 -42.09 78.77 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.601 1.091 . . . . 0.0 112.413 -175.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -55.35 -61.69 2.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.106 -0.949 . . . . 0.0 108.821 170.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -50.87 -38.66 50.74 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.851 1.205 . . . . 0.0 112.937 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.31 -23.26 57.28 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 117.522 2.415 . . . . 0.0 117.522 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -127.02 -41.55 1.79 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.72 1.146 . . . . 0.0 112.929 -173.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.421 HD11 ' HB1' ' A' ' 13' ' ' ALA . 3.7 tt -65.57 123.08 83.56 Favored Pre-proline 0 CA--C 1.545 0.761 0 N-CA-C 107.513 -1.292 . . . . 0.0 107.513 168.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.87 75.65 1.66 Allowed 'Trans proline' 0 CA--C 1.537 0.668 0 C-N-CA 123.057 2.505 . . . . 0.0 110.292 171.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.76 10.17 0.22 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.004 1.322 . . . . 0.0 112.672 174.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 42.67 25.78 0.05 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.751 2.42 . . . . 0.0 113.016 -164.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 21.2 p90 39.01 14.36 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.812 2.445 . . . . 0.0 116.564 -162.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.78 155.32 82.98 Favored Pre-proline 0 N--CA 1.472 0.658 0 CA-C-N 120.001 1.273 . . . . 0.0 111.869 -161.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.441 ' HA ' HG21 ' B' ' 33' ' ' VAL . 63.6 Cg_endo -63.02 -45.8 11.9 Favored 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 121.282 1.321 . . . . 0.0 110.855 175.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.79 -24.73 66.99 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.861 -1.149 . . . . 0.0 113.471 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.8 t -86.96 -37.47 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 CA-C-N 119.959 1.254 . . . . 0.0 112.721 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -66.98 -35.46 80.0 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 120.086 -1.634 . . . . 0.0 111.574 169.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.82 -53.51 57.36 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 118.766 -0.635 . . . . 0.0 110.424 169.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.2 p -58.91 -47.0 86.57 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.37 -44.05 95.88 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.511 -0.757 . . . . 0.0 111.774 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.26 -56.48 12.5 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 120.291 1.405 . . . . 0.0 111.855 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -33.53 70.32 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.127 0.421 . . . . 0.0 111.464 -177.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -66.91 -54.5 21.48 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 118.449 -0.786 . . . . 0.0 111.26 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.84 -37.21 70.96 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.692 0.678 . . . . 0.0 111.085 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.24 -30.51 71.15 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 171.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.5 m -81.34 -37.25 28.61 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 120.275 -1.516 . . . . 0.0 112.481 170.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.2 t -52.16 -50.98 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 119.363 0.983 . . . . 0.0 108.796 169.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.0 p -63.75 -48.79 75.56 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-O 117.05 -1.452 . . . . 0.0 113.025 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 52.3 m -51.53 -38.15 52.84 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 121.039 1.745 . . . . 0.0 112.158 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 58.6 t -71.11 -48.92 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 O-C-N 121.065 -1.022 . . . . 0.0 111.184 172.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -3.26 1.97 Allowed 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 44.1 p -126.37 3.46 6.99 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 127.276 2.23 . . . . 0.0 111.267 176.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 CA--C 1.535 0.38 0 C-N-CA 125.156 1.382 . . . . 0.0 111.429 171.753 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.288 2.2 p . . . . . 0 N--CA 1.516 2.841 0 CA-C-O 117.93 -1.033 . . . . 0.0 113.041 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 35.62 80.72 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 127.759 2.424 . . . . 0.0 116.084 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.3 159.06 15.85 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.086 -1.009 . . . . 0.0 111.996 177.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.5 141.85 93.65 Favored Pre-proline 0 N--CA 1.478 0.971 0 CA-C-O 117.941 -1.028 . . . . 0.0 109.632 168.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -47.63 -43.85 27.24 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.453 3.435 . . . . 0.0 116.387 -175.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.5 -39.94 94.72 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.372 -0.83 . . . . 0.0 112.487 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.87 -44.25 66.76 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.653 176.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -47.7 65.3 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.531 1.132 . . . . 0.0 111.453 169.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.5 t -55.7 -52.12 64.95 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.858 0.753 . . . . 0.0 110.755 173.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.22 -49.72 73.3 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.532 HG23 ' CZ ' ' B' ' 130' ' ' TYR . 2.6 p -65.69 -55.51 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-N 119.644 1.111 . . . . 0.0 111.78 175.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -68.01 -36.13 79.47 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 118.93 0.786 . . . . 0.0 111.63 -169.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.69 94.42 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.143 0.883 . . . . 0.0 111.741 175.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.44 -39.54 88.94 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.617 -0.677 . . . . 0.0 110.515 173.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -22.03 58.73 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 166.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.87 -37.08 45.38 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.151 0.882 . . . . 0.0 113.162 173.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -88.05 -21.71 24.6 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.021 0.911 . . . . 0.0 113.378 175.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.96 135.56 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 124.613 1.165 . . . . 0.0 111.919 -173.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.13 87.0 7.18 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 90.1 t -53.79 -35.16 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 CA-C-N 119.58 1.082 . . . . 0.0 113.793 -168.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -63.0 -51.08 68.19 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.2 1.0 . . . . 0.0 112.568 172.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -86.14 -45.93 10.9 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.296 -0.878 . . . . 0.0 111.354 -170.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.68 -32.45 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-N 119.142 0.883 . . . . 0.0 110.882 169.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.93 -45.22 17.0 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 119.025 0.829 . . . . 0.0 111.941 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.45 -42.01 99.15 Favored Glycine 0 N--CA 1.468 0.795 0 CA-C-N 118.599 1.2 . . . . 0.0 112.585 170.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.56 -49.59 75.88 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.351 169.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.81 -48.45 25.24 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 121.074 1.761 . . . . 0.0 114.85 -172.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.9 tp -62.71 -46.96 85.69 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-O 117.823 -1.084 . . . . 0.0 109.248 172.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -48.18 -55.62 10.15 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 119.439 1.018 . . . . 0.0 111.573 171.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.428 ' O ' HG23 ' B' ' 34' ' ' VAL . 0.0 OUTLIER -46.93 -43.87 19.41 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 126.941 2.096 . . . . 0.0 111.31 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 tp -49.63 -49.94 45.02 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 120.53 1.513 . . . . 0.0 110.095 177.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.579 HD22 ' H ' ' B' ' 32' ' ' LEU . 1.9 mm? -68.84 -32.35 71.98 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.988 0.915 . . . . 0.0 111.771 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.441 HG21 ' HA ' ' A' ' 119' ' ' PRO . 0.9 OUTLIER -70.35 17.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 C-N-CA 124.476 1.11 . . . . 0.0 113.221 164.481 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 30' ' ' ARG . 2.3 t -111.49 17.51 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 119.084 -2.26 . . . . 0.0 111.167 166.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 2.8 t80 46.02 49.57 6.79 Favored Pre-proline 0 CA--C 1.555 1.169 0 O-C-N 120.817 -1.177 . . . . 0.0 112.23 -170.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -79.07 142.89 17.49 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 121.631 1.554 . . . . 0.0 109.265 -173.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -26.09 44.82 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.869 1.268 . . . . 0.0 113.031 172.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 23.0 p -57.11 -20.67 26.9 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 171.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -48.8 -26.78 2.57 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.396 1.078 . . . . 0.0 113.409 170.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.427 ' HA ' ' HE ' ' C' ' 92' ' ' ARG . 5.5 ptm180 -51.25 -31.94 22.61 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 121.22 1.827 . . . . 0.0 115.225 170.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.56 10.56 32.09 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.05 0.94 . . . . 0.0 112.164 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.54 -14.65 21.08 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 175.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -45.42 -31.53 1.73 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.66 1.184 . . . . 0.0 112.735 173.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -96.2 -31.2 13.08 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 170.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -61.43 -27.81 68.82 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 119.978 -1.701 . . . . 0.0 113.121 173.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.18 179.23 7.57 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.114 0.864 . . . . 0.0 113.812 -177.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 33.24 -108.09 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.377 1.871 . . . . 0.0 111.839 -167.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.52 HD12 ' HG ' ' B' ' 32' ' ' LEU . 8.8 tt 59.15 -18.93 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 127.686 2.395 . . . . 0.0 117.163 176.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 15.0 m -50.17 -21.51 1.34 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.466 1.906 . . . . 0.0 114.861 -175.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 4.7 p -132.98 157.93 77.12 Favored Pre-proline 0 CA--C 1.542 0.648 0 C-N-CA 125.641 1.576 . . . . 0.0 109.52 165.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.32 -46.41 31.51 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.696 2.264 . . . . 0.0 112.716 170.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -59.49 -41.39 89.74 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.146 -0.971 . . . . 0.0 112.16 176.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.28 -37.48 80.62 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.144 0.578 . . . . 0.0 111.819 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.72 -36.63 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 120.186 1.357 . . . . 0.0 113.25 177.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -32.06 68.83 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.928 0.785 . . . . 0.0 112.764 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.51 -6.79 62.31 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.413 1.006 . . . . 0.0 115.435 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -65.48 120.87 71.62 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-N 119.075 1.437 . . . . 0.0 112.432 -175.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -60.55 -32.44 93.51 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.385 2.723 . . . . 0.0 113.614 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.52 -33.5 66.94 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.659 -1.276 . . . . 0.0 112.84 173.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.11 -36.08 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 119.911 1.232 . . . . 0.0 110.948 171.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -59.8 -52.19 66.5 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.263 0.938 . . . . 0.0 111.897 167.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.5 98.63 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -37.29 77.95 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.42 -1.425 . . . . 0.0 110.971 172.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.39 -45.38 75.71 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 126.965 2.222 . . . . 0.0 113.945 171.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -57.33 -43.39 83.32 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.712 0.805 . . . . 0.0 112.393 169.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -53.63 33.08 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.843 0.857 . . . . 0.0 112.288 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.8 p -55.02 -43.65 70.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 119.197 0.908 . . . . 0.0 111.804 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.413 ' O ' HD23 ' B' ' 68' ' ' LEU . 5.1 tt -72.52 -36.37 68.31 Favored 'General case' 0 C--O 1.223 -0.304 0 O-C-N 120.937 -1.102 . . . . 0.0 113.18 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.64 -35.41 45.72 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 124.895 1.236 . . . . 0.0 112.6 170.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.72 -45.77 67.46 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 117.919 0.86 . . . . 0.0 112.479 169.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -58.58 -39.45 80.38 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 120.17 -1.581 . . . . 0.0 112.865 173.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 89.0 p -73.76 -39.73 64.0 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.613 -1.305 . . . . 0.0 113.276 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -54.74 -32.43 59.78 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.401 1.0 . . . . 0.0 111.309 164.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.9 -63.27 5.22 Favored Glycine 0 C--N 1.341 0.81 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 172.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mt -55.52 -21.57 17.4 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 177.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.55 -27.42 31.65 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.404 1.482 . . . . 0.0 114.552 171.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -147.61 52.09 1.05 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.951 1.7 . . . . 0.0 112.661 -171.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.6 -20.19 64.49 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.411 -1.43 . . . . 0.0 114.32 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -82.22 -9.12 59.61 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.176 1.791 . . . . 0.0 113.828 172.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -130.85 29.04 4.78 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.355 1.862 . . . . 0.0 112.133 -172.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.8 mt -58.09 -17.5 18.54 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 178.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -0.13 29.61 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 120.388 1.449 . . . . 0.0 113.778 174.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.09 -32.98 4.45 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.34 1.448 . . . . 0.0 114.282 -177.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.67 -16.25 21.04 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.137 0.975 . . . . 0.0 113.302 175.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -107.37 3.5 25.36 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.813 0.845 . . . . 0.0 113.164 -169.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.31 -34.5 72.4 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.4 p -65.74 -42.2 91.25 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.951 -1.093 . . . . 0.0 111.969 169.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 19.2 mt -69.57 -38.53 77.42 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 123.459 0.703 . . . . 0.0 111.966 177.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 84.2 p -67.08 -40.59 87.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 120.198 1.363 . . . . 0.0 111.566 176.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -61.22 -42.04 97.91 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.423 0.689 . . . . 0.0 112.071 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 30.5 tp -57.49 -60.04 4.26 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.118 -0.989 . . . . 0.0 111.71 170.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -74.25 18.63 0.14 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.123 1.369 . . . . 0.0 114.071 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 48.8 t -131.52 -87.66 0.47 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.173 1.389 . . . . 0.0 108.837 164.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.66 -19.89 29.74 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 -170.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.16 -42.33 6.74 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.885 0.874 . . . . 0.0 112.472 169.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.42 67.5 1.13 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.433 1.893 . . . . 0.0 112.082 -173.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . 0.649 ' H ' ' CD2' ' B' ' 97' ' ' HIS . 0.0 OUTLIER -59.77 33.11 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 128.427 2.691 . . . . 0.0 114.746 162.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 2.1 m -47.17 146.03 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 120.543 -1.348 . . . . 0.0 111.324 167.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.24 138.99 66.24 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 123.755 0.822 . . . . 0.0 111.677 -174.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -50.7 -34.42 43.86 Favored 'Trans proline' 0 CA--C 1.536 0.59 0 C-N-CA 123.152 2.568 . . . . 0.0 115.442 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -50.83 -35.97 35.08 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.693 -1.254 . . . . 0.0 112.782 173.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -65.72 -35.79 81.75 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 118.25 -0.881 . . . . 0.0 113.271 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . 0.505 ' CD1' ' HB1' ' B' ' 138' ' ' ALA . 0.2 OUTLIER -56.76 -48.18 78.41 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.507 1.049 . . . . 0.0 109.106 168.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' ARG . . . . . 0.413 ' N ' ' CD1' ' B' ' 103' ' ' PHE . 20.0 ttm-85 -66.09 -45.19 82.08 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 118.839 -0.6 . . . . 0.0 109.4 -171.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 7.0 mp -53.69 -44.68 69.96 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 118.19 -0.91 . . . . 0.0 112.169 173.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.06 -48.26 79.44 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.041 1.291 . . . . 0.0 111.126 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' GLY . . . . . 0.421 ' HA3' HG11 ' B' ' 134' ' ' VAL . . . -54.85 -53.59 38.71 Favored Glycine 0 CA--C 1.536 1.402 0 O-C-N 121.527 -0.733 . . . . 0.0 114.289 173.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -56.03 -36.74 68.34 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.168 1.787 . . . . 0.0 112.308 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.21 -42.24 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 O-C-N 120.643 -1.285 . . . . 0.0 111.811 176.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 47.2 tp -56.56 -50.16 72.71 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.208 0.603 . . . . 0.0 109.737 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.503 HG21 HE22 ' B' ' 131' ' ' GLN . 26.1 m -57.41 -33.23 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 176.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 97.4 m -67.4 -39.1 85.55 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.36 0.982 . . . . 0.0 112.199 175.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -68.84 -43.93 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 120.74 -1.225 . . . . 0.0 111.841 178.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -41.49 97.5 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.983 1.265 . . . . 0.0 109.816 175.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.17 -37.14 66.64 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 118.752 -0.642 . . . . 0.0 112.486 173.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -72.93 -58.86 3.02 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.028 0.831 . . . . 0.0 113.001 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -67.61 -22.85 65.33 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -173.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -124.28 39.46 3.96 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.319 1.848 . . . . 0.0 110.54 176.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -49.81 163.18 0.71 Allowed Glycine 0 CA--C 1.54 1.611 0 C-N-CA 123.648 0.642 . . . . 0.0 111.831 157.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt 61.88 -24.26 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 126.028 1.731 . . . . 0.0 115.373 -158.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -116.84 -3.74 11.64 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.581 1.152 . . . . 0.0 113.439 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . 0.41 ' O ' ' CG ' ' B' ' 122' ' ' PHE . 0.8 OUTLIER -68.57 39.72 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 127.911 2.484 . . . . 0.0 115.131 179.583 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.41 144.5 1.68 Allowed Pre-proline 0 N--CA 1.487 1.403 0 O-C-N 120.707 -1.245 . . . . 0.0 113.389 -166.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -46.32 -50.29 10.4 Favored 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 122.487 2.125 . . . . 0.0 115.507 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -64.39 -23.88 64.87 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.481 2.121 . . . . 0.0 115.595 172.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.43 -43.54 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 120.905 1.684 . . . . 0.0 112.369 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -69.66 -38.77 77.23 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 120.203 1.365 . . . . 0.0 112.335 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.13 95.59 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.544 1.065 . . . . 0.0 111.575 172.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.75 -48.64 80.48 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.738 0.815 . . . . 0.0 111.139 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.532 ' CZ ' HG23 ' B' ' 11' ' ' VAL . 33.6 m-85 -55.56 -49.9 71.48 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 118.57 -0.729 . . . . 0.0 112.051 168.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . 0.503 HE22 HG21 ' B' ' 111' ' ' VAL . 1.2 mp0 -54.76 -37.17 65.66 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.858 1.208 . . . . 0.0 113.2 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -67.92 -42.15 81.52 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.76 1.618 . . . . 0.0 112.658 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.49 -36.86 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.867 -1.145 . . . . 0.0 112.763 176.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.421 HG11 ' HA3' ' B' ' 107' ' ' GLY . 32.2 t -62.33 -49.5 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.933 1.693 . . . . 0.0 110.699 172.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.31 -50.25 74.72 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.919 0.888 . . . . 0.0 110.917 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.72 -52.5 50.27 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-N 118.779 0.718 . . . . 0.0 113.072 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -41.65 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 118.381 1.091 . . . . 0.0 110.485 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 138' ' ' ALA . . . . . 0.505 ' HB1' ' CD1' ' B' ' 103' ' ' PHE . . . -72.86 -36.72 67.46 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -178.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -60.56 -32.43 71.51 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.288 0.949 . . . . 0.0 110.899 168.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -71.18 -37.78 72.15 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 169.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 7.4 mt -64.67 -37.11 86.46 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.308 -1.495 . . . . 0.0 111.347 172.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.48 -8.71 35.68 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.733 1.213 . . . . 0.0 113.675 168.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -66.87 -26.44 66.89 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 119.545 -1.972 . . . . 0.0 113.907 -173.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -80.37 -17.85 50.73 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 121.177 -0.952 . . . . 0.0 113.102 168.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 1.01 0 C-N-CA 126.873 2.069 . . . . 0.0 112.995 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.251 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.694 HD13 HG22 ' C' ' 73' ' ' VAL . 1.4 mp -125.57 -134.58 0.26 Allowed 'General case' 0 CA--C 1.56 1.333 0 CA-C-N 122.685 2.493 . . . . 0.0 110.198 -171.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 46.4 m 125.06 -30.12 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.921 0 C-N-CA 130.871 3.669 . . . . 0.0 117.073 174.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -57.74 -173.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 124.843 3.695 . . . . 0.0 116.719 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.3 -28.48 2.01 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.617 1.567 . . . . 0.0 114.637 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -57.46 -45.56 84.65 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.333 -0.855 . . . . 0.0 112.961 169.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.46 -49.62 64.27 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.358 1.435 . . . . 0.0 109.896 171.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 49.7 m -57.41 -43.5 83.8 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 118.858 0.754 . . . . 0.0 111.252 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -63.71 -37.68 88.25 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.563 0.745 . . . . 0.0 112.387 173.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.31 -47.17 93.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.617 1.099 . . . . 0.0 111.492 171.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -43.98 94.28 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 119.647 1.112 . . . . 0.0 110.843 -179.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.06 -56.59 20.11 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.892 0.877 . . . . 0.0 110.487 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . 0.426 ' HB1' HD11 ' C' ' 113' ' ' LEU . . . -53.57 -52.52 59.49 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.361 1.064 . . . . 0.0 112.066 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -65.76 -27.07 68.03 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.01 -37.98 95.32 Favored Glycine 0 CA--C 1.534 1.273 0 O-C-N 121.181 -0.949 . . . . 0.0 112.879 168.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -67.53 -40.67 85.04 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 117.96 0.88 . . . . 0.0 111.212 169.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 97.0 t -60.1 -48.25 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.227 1.011 . . . . 0.0 112.392 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 35.7 -119.21 0.41 Allowed Glycine 0 CA--C 1.54 1.641 0 C-N-CA 125.064 1.316 . . . . 0.0 114.977 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.09 -25.31 66.16 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -68.32 -14.51 63.05 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.465 1.106 . . . . 0.0 113.14 178.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.533 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -42.16 -49.0 4.9 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.911 1.285 . . . . 0.0 114.014 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.13 -32.03 66.02 Favored Glycine 0 C--N 1.339 0.715 0 CA-C-O 118.785 -1.008 . . . . 0.0 113.69 -177.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -41.67 96.95 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.446 1.123 . . . . 0.0 109.952 172.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -67.24 -39.86 86.22 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 120.794 -1.191 . . . . 0.0 113.015 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.65 -48.26 85.52 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-N 118.717 0.689 . . . . 0.0 112.201 172.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.65 -51.65 67.9 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.244 1.018 . . . . 0.0 111.685 176.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.08 -25.21 66.12 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.83 0.852 . . . . 0.0 112.935 179.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.81 -43.42 58.85 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.405 1.002 . . . . 0.0 111.787 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 27.6 mt -58.71 -47.79 83.34 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.762 0.825 . . . . 0.0 111.061 174.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -59.65 -48.32 82.12 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 119.202 -0.427 . . . . 0.0 111.57 177.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.31 -47.23 69.43 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.912 0.885 . . . . 0.0 113.006 172.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' MET . . . . . 0.596 ' HG2' HG21 ' C' ' 39' ' ' THR . 39.6 ttp -59.03 -42.83 91.13 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.472 0.578 . . . . 0.0 112.029 176.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -59.29 -56.01 27.52 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.868 0.758 . . . . 0.0 111.794 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -73.05 -23.79 60.62 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 83.9 p -82.65 -29.5 29.97 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.829 1.195 . . . . 0.0 113.592 172.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' PHE . . . . . 0.494 ' O ' HG22 ' C' ' 39' ' ' THR . 14.7 m-85 -140.4 67.54 31.43 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 126.185 1.794 . . . . 0.0 110.87 -175.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -61.57 -22.29 74.09 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.933 2.422 . . . . 0.0 114.194 -171.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 7.7 p -55.58 -33.05 63.55 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.355 1.462 . . . . 0.0 113.397 168.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . 0.596 HG21 ' HG2' ' C' ' 32' ' ' MET . 3.8 t -56.29 -30.65 62.79 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.445 1.098 . . . . 0.0 113.701 174.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -59.59 -31.1 69.14 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.213 1.405 . . . . 0.0 113.048 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 4.0 t -61.1 -24.3 66.14 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' TYR . . . . . 0.538 ' CE1' ' HA ' ' C' ' 93' ' ' VAL . 0.1 OUTLIER -66.35 -15.2 63.08 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 174.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -146.48 84.33 7.83 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 124.332 1.053 . . . . 0.0 111.84 175.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -73.98 44.36 0.97 Allowed 'Trans proline' 0 CA--C 1.554 1.499 1 C-N-CA 125.401 4.067 . . . . 0.0 114.268 -174.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -160.64 91.21 0.89 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.798 2.439 . . . . 0.0 108.349 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -176.71 116.2 0.11 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.985 1.314 . . . . 0.0 110.293 167.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . 0.489 ' HB2' HE22 ' C' ' 54' ' ' GLN . 7.2 m-20 -70.09 121.19 17.0 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.281 -0.887 . . . . 0.0 109.677 164.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 61.6 mt -106.72 25.81 10.78 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.6 1.16 . . . . 0.0 112.143 -175.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 75.1 p -57.05 153.39 11.53 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.61 1.164 . . . . 0.0 112.305 175.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -59.43 122.21 13.41 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.642 -0.661 . . . . 0.0 110.638 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.96 18.41 72.49 Favored Glycine 0 CA--C 1.541 1.702 0 CA-C-O 118.803 -0.999 . . . . 0.0 114.969 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -47.06 123.07 4.93 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.017 1.408 . . . . 0.0 113.623 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.6 -18.03 61.35 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.329 1.052 . . . . 0.0 113.624 175.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . 0.489 HE22 ' HB2' ' C' ' 47' ' ' ASP . 0.0 OUTLIER -89.61 -41.66 11.84 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.437 1.017 . . . . 0.0 111.708 173.464 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.01 -38.46 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 O-C-N 121.459 -0.776 . . . . 0.0 111.547 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -41.69 97.94 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 119.445 1.02 . . . . 0.0 113.507 171.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.44 -42.35 49.01 Favored Glycine 0 N--CA 1.474 1.21 0 C-N-CA 124.006 0.812 . . . . 0.0 112.357 -177.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -61.49 -44.26 97.4 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.891 -0.77 . . . . 0.0 110.783 168.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -49.82 -52.84 24.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 121.13 -0.981 . . . . 0.0 113.668 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -55.62 -35.6 66.06 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 118.802 1.301 . . . . 0.0 112.946 174.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -70.97 -49.71 42.45 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.568 1.147 . . . . 0.0 113.602 174.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 49.1 t -54.74 -40.95 53.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 O-C-N 120.909 -1.119 . . . . 0.0 110.653 171.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 63' ' ' ALA . . . . . 0.533 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -60.42 -50.15 74.73 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 173.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -34.67 75.17 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 120.217 1.371 . . . . 0.0 111.775 177.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.75 98.02 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 170.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.59 -43.2 97.65 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 118.02 -0.99 . . . . 0.0 111.213 171.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 27.7 m -56.33 -49.14 75.2 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 120.58 1.536 . . . . 0.0 111.91 170.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -29.69 70.15 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.578 1.535 . . . . 0.0 112.534 178.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.58 -50.48 51.4 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 118.954 0.797 . . . . 0.0 110.98 170.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 83.9 t -58.05 -43.23 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 120.005 1.275 . . . . 0.0 111.382 177.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.05 -24.64 68.0 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.883 1.273 . . . . 0.0 113.735 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -138.86 34.01 2.18 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 124.289 1.035 . . . . 0.0 111.227 -173.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.694 HG22 HD13 ' C' ' 2' ' ' LEU . 5.9 p -57.62 -20.42 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 O-C-N 120.628 -1.295 . . . . 0.0 113.644 -167.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -111.48 -0.73 16.13 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.54 1.536 . . . . 0.0 114.253 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.71 23.05 5.03 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 129.475 3.11 . . . . 0.0 110.18 -172.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -108.81 29.4 0.07 OUTLIER Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 125.842 1.657 . . . . 0.0 114.737 -178.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -64.62 -22.79 64.38 Favored 'Trans proline' 0 C--N 1.356 0.964 0 CA-C-N 123.613 2.326 . . . . 0.0 113.248 -174.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.91 6.41 2.42 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.354 1.462 . . . . 0.0 113.5 175.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.19 -27.29 66.27 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.186 -1.571 . . . . 0.0 113.17 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 28.5 mt -92.83 5.24 51.94 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.181 0.992 . . . . 0.0 112.002 173.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 41.0 m -60.73 -36.99 80.25 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.166 1.348 . . . . 0.0 113.792 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.32 70.28 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.956 1.253 . . . . 0.0 112.339 173.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.88 -44.49 48.6 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.779 0.831 . . . . 0.0 110.02 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 4.7 t -54.52 -44.01 72.39 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.309 0.504 . . . . 0.0 111.579 172.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -60.26 -42.22 94.87 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.606 -1.309 . . . . 0.0 112.565 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tp -59.19 -59.17 5.88 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.653 -1.279 . . . . 0.0 111.377 170.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -69.95 -28.41 65.54 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.201 -0.937 . . . . 0.0 113.264 -174.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.19 -14.1 18.64 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.628 1.571 . . . . 0.0 114.105 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -125.02 -48.92 1.73 Allowed 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.663 1.12 . . . . 0.0 113.59 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -67.87 -34.61 77.01 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 119.915 1.234 . . . . 0.0 112.26 174.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 20.9 mt -118.86 -26.15 6.12 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . 0.427 ' HE ' ' HA ' ' B' ' 40' ' ' ARG 0.324 1.4 mtt-85 41.93 53.42 4.15 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 127.792 2.437 . . . . 0.0 114.093 -170.753 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . 0.538 ' HA ' ' CE1' ' C' ' 42' ' ' TYR . 71.6 t -77.11 125.96 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 127.271 2.228 . . . . 0.0 112.269 177.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -51.54 125.57 28.06 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 125.399 1.48 . . . . 0.0 110.941 164.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -39.4 -24.07 0.1 Allowed 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 124.761 3.641 . . . . 0.0 116.796 168.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 7.6 p -46.0 -41.99 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 120.576 1.535 . . . . 0.0 113.158 171.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -65.38 -33.87 76.98 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.237 -0.914 . . . . 0.0 112.511 177.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -56.0 -47.53 77.59 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 119.272 0.942 . . . . 0.0 109.083 171.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -55.94 -43.44 77.46 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.876 0.762 . . . . 0.0 110.336 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.02 -55.05 29.03 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.216 1.006 . . . . 0.0 110.975 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 23.2 tp -56.27 -43.24 78.58 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.454 0.702 . . . . 0.0 112.572 175.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 43.7 t -66.5 -44.5 82.43 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.393 1.477 . . . . 0.0 112.832 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -56.88 -46.99 81.49 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.597 -0.69 . . . . 0.0 111.293 169.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 74.7 m -65.6 -33.84 76.83 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.73 -51.1 69.74 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 119.682 1.128 . . . . 0.0 110.93 167.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 31.6 mt -52.66 -40.67 63.09 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.226 1.375 . . . . 0.0 112.167 175.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 34.3 t -60.85 -53.13 53.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 118.807 -0.616 . . . . 0.0 112.449 171.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 40.3 p -68.58 -42.19 78.63 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.707 1.14 . . . . 0.0 112.449 -175.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -55.25 -61.7 2.16 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 118.181 -0.914 . . . . 0.0 108.867 170.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -50.74 -38.86 50.09 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.88 1.218 . . . . 0.0 112.921 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.27 -23.17 57.4 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 117.553 2.427 . . . . 0.0 117.553 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -126.97 -41.43 1.8 Allowed 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.626 1.103 . . . . 0.0 113.1 -173.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . 0.426 HD11 ' HB1' ' C' ' 13' ' ' ALA . 3.7 tt -65.68 122.95 83.2 Favored Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 168.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -70.87 75.68 1.65 Allowed 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.178 2.585 . . . . 0.0 110.237 171.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.77 10.2 0.22 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.928 1.291 . . . . 0.0 112.657 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 42.69 25.64 0.05 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.657 2.383 . . . . 0.0 113.162 -164.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 21.1 p90 39.02 14.52 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.831 2.452 . . . . 0.0 116.517 -162.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.78 155.19 83.47 Favored Pre-proline 0 N--CA 1.471 0.594 0 CA-C-N 120.053 1.297 . . . . 0.0 111.963 -161.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 119' ' ' PRO . . . . . 0.47 ' HA ' HG21 ' D' ' 33' ' ' VAL . 63.5 Cg_endo -63.0 -45.77 12.01 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 121.26 1.307 . . . . 0.0 110.907 175.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.65 -24.85 67.13 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 120.916 -1.115 . . . . 0.0 113.465 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 47.8 t -87.04 -37.25 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 CA-C-N 119.922 1.237 . . . . 0.0 112.662 178.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -67.11 -35.55 80.01 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.045 -1.66 . . . . 0.0 111.451 169.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.86 -53.65 55.85 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.335 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 54.0 p -58.67 -46.99 85.98 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 113.35 0.871 . . . . 0.0 113.35 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.4 -44.19 95.41 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.519 -0.753 . . . . 0.0 111.812 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -64.98 -56.59 12.28 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 120.198 1.363 . . . . 0.0 111.878 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -33.32 70.34 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.057 0.39 . . . . 0.0 111.417 -177.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -66.93 -54.56 20.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 118.446 -0.787 . . . . 0.0 111.268 174.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -37.33 70.82 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.717 0.69 . . . . 0.0 111.114 177.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.25 -30.61 71.23 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 171.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 32.3 m -81.37 -36.97 28.97 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.386 -1.446 . . . . 0.0 112.448 171.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 47.4 t -52.45 -50.81 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 119.452 1.024 . . . . 0.0 108.732 169.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 84.0 p -63.78 -48.84 75.29 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 117.007 -1.473 . . . . 0.0 112.98 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 52.5 m -51.56 -38.07 52.57 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 121.072 1.76 . . . . 0.0 112.217 177.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 58.8 t -71.08 -48.9 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 O-C-N 121.052 -1.03 . . . . 0.0 111.22 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -3.16 2.04 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.012 1.325 . . . . 0.0 114.486 177.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 44.2 p -126.33 3.33 7.03 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.295 2.238 . . . . 0.0 111.343 176.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 CA--C 1.534 0.362 0 C-N-CA 125.157 1.383 . . . . 0.0 111.505 171.681 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.29 2.2 p . . . . . 0 N--CA 1.516 2.85 0 CA-C-O 118.057 -0.973 . . . . 0.0 113.025 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 35.68 80.69 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 127.681 2.392 . . . . 0.0 116.103 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 159.03 16.0 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 121.227 -0.921 . . . . 0.0 112.053 177.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.47 141.86 93.73 Favored Pre-proline 0 N--CA 1.478 0.97 0 CA-C-O 117.919 -1.039 . . . . 0.0 109.633 168.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -47.69 -43.85 27.56 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 124.486 3.457 . . . . 0.0 116.35 -175.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.53 -39.99 94.78 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.348 -0.845 . . . . 0.0 112.461 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.76 -44.26 67.1 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 118.403 -0.808 . . . . 0.0 110.594 176.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -47.9 65.37 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.534 1.134 . . . . 0.0 111.469 169.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 14.8 t -55.51 -52.04 65.0 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.881 0.764 . . . . 0.0 110.828 173.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.16 -49.76 73.08 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 11' ' ' VAL . . . . . 0.523 HG23 ' CZ ' ' D' ' 130' ' ' TYR . 2.6 p -65.69 -55.41 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 119.547 1.067 . . . . 0.0 111.786 175.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -68.12 -36.14 79.25 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.938 0.79 . . . . 0.0 111.712 -169.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.58 94.12 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.978 0.808 . . . . 0.0 111.701 175.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.59 -39.35 88.37 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.639 -0.663 . . . . 0.0 110.51 173.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -21.95 57.68 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 166.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.14 -37.12 43.74 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.216 0.912 . . . . 0.0 113.047 174.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt -87.97 -21.68 24.72 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 118.021 0.91 . . . . 0.0 113.347 175.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.97 135.67 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 124.579 1.152 . . . . 0.0 111.826 -173.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.16 87.0 7.18 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 95.6 t -53.91 -35.05 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 CA-C-N 119.683 1.129 . . . . 0.0 113.778 -167.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -63.04 -50.8 69.24 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.196 0.998 . . . . 0.0 112.68 172.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -86.45 -45.97 10.64 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.256 -0.902 . . . . 0.0 111.314 -170.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -32.58 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 119.099 0.863 . . . . 0.0 110.852 169.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.88 -45.25 17.13 Favored Glycine 0 C--N 1.34 0.764 0 CA-C-N 119.102 0.865 . . . . 0.0 111.982 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.46 -41.86 99.17 Favored Glycine 0 N--CA 1.467 0.725 0 CA-C-N 118.587 1.194 . . . . 0.0 112.642 170.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.73 -49.65 75.85 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.406 169.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.68 -48.39 26.36 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 121.023 1.738 . . . . 0.0 114.833 -173.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 44.3 tp -63.06 -46.76 85.98 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 117.599 -1.191 . . . . 0.0 109.174 172.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -48.26 -55.52 10.38 Favored Glycine 0 C--N 1.336 0.569 0 CA-C-N 119.591 1.087 . . . . 0.0 111.612 171.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' ARG . . . . . 0.432 ' O ' HG23 ' D' ' 34' ' ' VAL . 0.0 OUTLIER -47.03 -43.56 19.75 Favored 'General case' 0 C--O 1.215 -0.715 0 C-N-CA 126.949 2.1 . . . . 0.0 111.37 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 tp -49.97 -49.79 49.1 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.628 1.558 . . . . 0.0 110.065 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . 0.584 HD22 ' H ' ' D' ' 32' ' ' LEU . 1.9 mm? -68.95 -32.37 71.93 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.123 0.969 . . . . 0.0 111.641 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' VAL . . . . . 0.47 HG21 ' HA ' ' C' ' 119' ' ' PRO . 0.9 OUTLIER -70.47 17.79 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.34 1.056 . . . . 0.0 113.19 164.56 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' VAL . . . . . 0.432 HG23 ' O ' ' D' ' 30' ' ' ARG . 2.4 t -111.49 17.48 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 O-C-N 119.243 -2.161 . . . . 0.0 111.168 166.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 2.8 t80 46.22 49.38 6.61 Favored Pre-proline 0 CA--C 1.554 1.132 0 O-C-N 120.876 -1.14 . . . . 0.0 112.22 -170.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -79.04 142.93 17.58 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 121.606 1.537 . . . . 0.0 109.302 -173.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -26.02 45.75 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.79 1.236 . . . . 0.0 113.039 172.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 23.1 p -57.06 -20.69 26.29 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 171.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -48.8 -26.81 2.58 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.25 1.02 . . . . 0.0 113.472 170.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . 0.424 ' HA ' ' HE ' ' A' ' 92' ' ' ARG . 5.5 ptm180 -51.18 -31.97 21.86 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 121.092 1.769 . . . . 0.0 115.304 170.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.47 10.57 31.83 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.955 0.902 . . . . 0.0 112.31 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -14.58 20.77 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 175.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -45.49 -31.57 1.82 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.613 1.165 . . . . 0.0 112.683 173.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -96.17 -31.12 13.13 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 170.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -61.42 -27.81 68.81 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 120.816 1.644 . . . . 0.0 113.182 173.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.19 179.13 7.5 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 123.98 0.8 . . . . 0.0 113.842 -177.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 33.34 -108.17 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.396 1.878 . . . . 0.0 111.796 -167.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 48' ' ' LEU . . . . . 0.529 HD12 ' HG ' ' D' ' 32' ' ' LEU . 8.9 tt 59.26 -18.92 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.611 2.365 . . . . 0.0 117.169 176.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 14.9 m -50.2 -21.64 1.41 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.456 1.902 . . . . 0.0 114.904 -175.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 4.7 p -132.64 158.03 76.79 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 125.691 1.596 . . . . 0.0 109.705 164.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.42 -46.5 31.11 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.803 2.335 . . . . 0.0 112.651 170.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -59.35 -41.56 89.48 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.215 -0.928 . . . . 0.0 112.232 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.51 80.13 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.077 0.551 . . . . 0.0 111.943 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.7 -36.7 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-N 119.995 1.27 . . . . 0.0 113.122 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -31.99 68.64 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.102 0.865 . . . . 0.0 112.725 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.63 -6.56 62.3 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.446 1.022 . . . . 0.0 115.477 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -65.67 120.91 72.43 Favored Pre-proline 0 CA--C 1.548 0.897 0 CA-C-N 119.147 1.474 . . . . 0.0 112.394 -175.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -60.63 -32.41 93.28 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.394 2.73 . . . . 0.0 113.634 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.51 -33.38 66.87 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.617 -1.302 . . . . 0.0 112.888 173.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.11 -36.13 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 119.95 1.25 . . . . 0.0 111.021 171.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -59.91 -52.12 66.8 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.127 0.876 . . . . 0.0 111.868 167.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.84 97.8 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.06 -37.33 78.46 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.41 -1.431 . . . . 0.0 110.973 172.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.43 -45.55 75.57 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 126.981 2.229 . . . . 0.0 113.894 171.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -57.09 -43.52 82.26 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.692 0.797 . . . . 0.0 112.353 169.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -53.59 34.34 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.769 0.827 . . . . 0.0 112.297 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.19 -43.47 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 119.154 0.888 . . . . 0.0 111.75 174.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . 0.401 ' O ' HD23 ' D' ' 68' ' ' LEU . 5.1 tt -72.57 -36.51 68.21 Favored 'General case' 0 C--O 1.224 -0.241 0 O-C-N 120.852 -1.155 . . . . 0.0 113.107 177.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.58 -35.66 45.91 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 125.054 1.312 . . . . 0.0 112.454 170.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.37 -45.93 68.18 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 117.987 0.893 . . . . 0.0 112.451 169.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -58.5 -39.52 80.28 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.189 -1.569 . . . . 0.0 112.976 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 88.7 p -73.65 -39.85 64.18 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.637 -1.29 . . . . 0.0 113.299 175.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -54.53 -32.51 58.36 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.422 1.01 . . . . 0.0 111.361 164.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.92 -63.21 5.28 Favored Glycine 0 C--N 1.339 0.74 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 172.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mt -55.72 -21.44 18.69 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.55 -27.55 31.56 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.385 1.474 . . . . 0.0 114.505 171.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -147.53 52.09 1.06 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.044 1.737 . . . . 0.0 112.791 -171.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.43 -20.3 64.37 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 120.373 -1.454 . . . . 0.0 114.25 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -82.37 -9.09 59.59 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.196 1.798 . . . . 0.0 113.775 172.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -130.92 29.12 4.76 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.378 1.871 . . . . 0.0 112.134 -172.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 83.1 mt -58.23 -17.3 18.15 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.88 -0.06 29.58 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 120.385 1.448 . . . . 0.0 113.709 174.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.09 -33.34 4.33 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.276 1.417 . . . . 0.0 114.188 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.15 -16.73 21.32 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.132 0.973 . . . . 0.0 113.305 175.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -107.0 3.45 26.03 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.843 0.857 . . . . 0.0 113.162 -169.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.23 -34.53 72.3 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -175.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 4.1 p -65.88 -42.12 90.72 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 120.995 -1.066 . . . . 0.0 111.855 169.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 19.2 mt -69.71 -38.36 76.9 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 123.447 0.699 . . . . 0.0 111.947 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -67.19 -40.45 86.52 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 120.2 1.364 . . . . 0.0 111.647 176.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -61.32 -42.06 98.04 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.313 0.645 . . . . 0.0 112.083 172.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 31.1 tp -57.29 -60.12 4.1 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.056 -1.028 . . . . 0.0 111.797 170.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -74.38 18.74 0.14 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.103 1.361 . . . . 0.0 114.076 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 48.8 t -131.54 -87.63 0.47 Allowed 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.164 1.386 . . . . 0.0 108.904 164.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.65 -19.91 29.85 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.729 1.752 . . . . 0.0 115.729 -170.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.16 -42.17 6.81 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.901 0.88 . . . . 0.0 112.58 169.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.55 67.71 1.12 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.3 1.84 . . . . 0.0 111.973 -173.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 97' ' ' HIS . . . . . 0.648 ' H ' ' CD2' ' D' ' 97' ' ' HIS . 0.0 OUTLIER -59.8 32.99 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 128.455 2.702 . . . . 0.0 114.802 162.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 2.0 m -47.22 146.01 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 120.506 -1.371 . . . . 0.0 111.267 167.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.19 138.95 65.86 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 123.807 0.843 . . . . 0.0 111.596 -174.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -50.84 -34.23 44.3 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.127 2.551 . . . . 0.0 115.395 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -50.79 -36.06 35.09 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.811 -1.181 . . . . 0.0 112.724 173.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -65.76 -35.88 81.97 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 118.288 -0.863 . . . . 0.0 113.237 177.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 103' ' ' PHE . . . . . 0.508 ' CD1' ' HB1' ' D' ' 138' ' ' ALA . 0.1 OUTLIER -56.66 -48.2 78.12 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.544 1.065 . . . . 0.0 109.096 168.839 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 104' ' ' ARG . . . . . 0.416 ' N ' ' CD1' ' D' ' 103' ' ' PHE . 20.0 ttm-85 -66.3 -44.92 82.12 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-O 118.597 -0.716 . . . . 0.0 109.344 -171.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 7.0 mp -53.74 -44.57 70.04 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.983 0.913 . . . . 0.0 112.188 173.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.34 -48.01 79.78 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.933 1.242 . . . . 0.0 111.149 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 107' ' ' GLY . . . . . 0.436 ' HA3' HG11 ' D' ' 134' ' ' VAL . . . -55.05 -53.32 41.0 Favored Glycine 0 CA--C 1.536 1.372 0 O-C-N 121.551 -0.718 . . . . 0.0 114.326 173.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -56.12 -36.79 68.62 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.39 1.876 . . . . 0.0 112.403 174.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.3 -42.18 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 O-C-N 120.709 -1.244 . . . . 0.0 111.917 176.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 47.7 tp -56.43 -50.12 72.59 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.28 0.632 . . . . 0.0 109.891 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 111' ' ' VAL . . . . . 0.492 HG21 HE22 ' D' ' 131' ' ' GLN . 26.4 m -57.54 -33.27 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 176.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 97.2 m -67.28 -39.16 86.01 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.26 0.937 . . . . 0.0 112.249 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -68.84 -43.77 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 O-C-N 120.801 -1.187 . . . . 0.0 112.004 178.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -41.61 97.73 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.86 1.209 . . . . 0.0 109.734 175.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.14 -37.13 66.55 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 118.782 -0.628 . . . . 0.0 112.53 173.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -73.0 -58.84 3.03 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.997 0.817 . . . . 0.0 112.937 174.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -67.49 -22.97 65.43 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -173.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -124.24 39.48 3.96 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.336 1.854 . . . . 0.0 110.546 176.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -49.87 163.2 0.72 Allowed Glycine 0 CA--C 1.541 1.664 0 C-N-CA 123.593 0.616 . . . . 0.0 111.844 157.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt 61.72 -24.02 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 126.143 1.777 . . . . 0.0 115.342 -158.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -117.16 -3.56 11.5 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.521 1.128 . . . . 0.0 113.419 -175.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -68.53 39.5 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 127.958 2.503 . . . . 0.0 115.054 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.51 144.51 1.72 Allowed Pre-proline 0 N--CA 1.486 1.346 0 O-C-N 120.682 -1.262 . . . . 0.0 113.324 -166.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -46.09 -50.5 9.84 Favored 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 122.453 2.102 . . . . 0.0 115.633 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -63.94 -24.23 67.58 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.48 2.12 . . . . 0.0 115.595 172.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -43.58 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-N 120.934 1.697 . . . . 0.0 112.364 179.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -69.58 -38.83 77.53 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 120.207 1.367 . . . . 0.0 112.413 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.91 96.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.412 1.006 . . . . 0.0 111.611 172.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.57 -48.9 79.38 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.89 0.876 . . . . 0.0 111.098 176.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 130' ' ' TYR . . . . . 0.523 ' CZ ' HG23 ' D' ' 11' ' ' VAL . 33.5 m-85 -55.58 -49.99 71.29 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 118.625 -0.702 . . . . 0.0 112.027 168.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 131' ' ' GLN . . . . . 0.492 HE22 HG21 ' D' ' 111' ' ' VAL . 1.2 mp0 -54.58 -37.31 65.36 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.883 1.219 . . . . 0.0 113.294 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -67.9 -42.15 81.59 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.75 1.614 . . . . 0.0 112.63 176.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 35.7 m -72.54 -36.88 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 CA-C-N 119.652 1.114 . . . . 0.0 112.788 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 134' ' ' VAL . . . . . 0.436 HG11 ' HA3' ' D' ' 107' ' ' GLY . 32.2 t -62.28 -49.52 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 125.979 1.712 . . . . 0.0 110.706 172.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.29 -50.15 75.1 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.98 0.912 . . . . 0.0 110.885 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.88 -52.41 51.18 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-N 118.706 0.684 . . . . 0.0 113.045 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.44 -41.77 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 118.389 1.094 . . . . 0.0 110.532 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 138' ' ' ALA . . . . . 0.508 ' HB1' ' CD1' ' D' ' 103' ' ' PHE . . . -72.75 -36.74 67.77 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -60.43 -32.62 71.53 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 119.394 0.997 . . . . 0.0 110.903 168.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.91 -37.99 72.96 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 169.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 7.4 mt -64.65 -37.21 86.8 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.271 -1.518 . . . . 0.0 111.274 173.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.55 -8.63 35.65 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.584 1.154 . . . . 0.0 113.656 168.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -66.75 -26.62 67.07 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 119.519 -1.988 . . . . 0.0 113.884 -173.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -80.29 -17.75 51.24 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 121.143 -0.973 . . . . 0.0 113.255 168.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.15 -22.86 22.63 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.93 2.092 . . . . 0.0 113.066 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.256 1.421 0 C-N-CA 128.942 2.897 . . . . 0.0 117.1 -172.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.269 5.8 p . . . . . 0 N--CA 1.508 2.453 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 58.0 mt -136.35 -172.42 3.14 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 120.556 1.525 . . . . 0.0 112.698 -174.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.46 158.75 60.52 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 126.908 2.083 . . . . 0.0 112.511 -173.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.05 -30.1 9.28 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.018 2.479 . . . . 0.0 113.55 -173.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.2 -33.13 56.37 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.641 -0.662 . . . . 0.0 112.573 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.66 -41.21 79.62 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.409 -0.807 . . . . 0.0 112.818 -173.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -58.2 -45.38 87.68 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-O 118.184 -0.912 . . . . 0.0 111.676 171.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.0 m -57.45 -45.83 84.29 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 120.046 1.294 . . . . 0.0 111.912 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -66.61 -39.7 88.48 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -73.65 -37.97 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-O 118.297 -0.859 . . . . 0.0 111.728 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 mptm? -55.87 -48.38 75.67 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.151 1.341 . . . . 0.0 110.879 169.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.13 -52.47 65.18 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.373 0.669 . . . . 0.0 111.454 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.0 -48.91 77.34 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -63.99 -30.34 71.43 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.15 -43.71 95.11 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.664 1.126 . . . . 0.0 113.317 171.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -66.17 -37.06 84.72 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 118.215 1.008 . . . . 0.0 111.764 172.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.1 -49.78 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 124.885 1.274 . . . . 0.0 112.821 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.71 -145.51 6.51 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 123.919 0.771 . . . . 0.0 114.535 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.38 -22.91 55.47 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -67.09 -7.98 27.19 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 174.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -45.33 -43.09 10.55 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.719 1.208 . . . . 0.0 114.003 174.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.09 -37.26 92.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 121.977 -0.452 . . . . 0.0 113.478 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -44.53 82.67 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.295 1.038 . . . . 0.0 111.113 174.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.48 -39.88 95.61 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.166 0.587 . . . . 0.0 112.029 175.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.05 -59.65 10.47 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.208 0.909 . . . . 0.0 111.658 170.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.25 -53.43 43.9 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.572 1.149 . . . . 0.0 112.942 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -61.3 -35.59 77.76 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.417 0.687 . . . . 0.0 112.193 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.434 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -60.74 -40.39 92.23 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 118.887 0.767 . . . . 0.0 111.955 175.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mt -65.83 -45.71 81.26 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 118.392 0.542 . . . . 0.0 111.127 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -57.06 -42.62 80.92 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.921 0.888 . . . . 0.0 110.023 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -44.64 93.44 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-O 117.013 -1.47 . . . . 0.0 111.536 174.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.6 mtm -57.04 -51.25 70.01 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 119.787 1.176 . . . . 0.0 112.173 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.51 -48.8 71.47 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.443 0.697 . . . . 0.0 110.371 -178.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.9 mt -71.34 -40.16 70.87 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.034 0.534 . . . . 0.0 111.789 -177.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.2 p -82.59 -30.7 29.39 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -172.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -142.86 66.85 17.65 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 125.312 1.445 . . . . 0.0 109.508 -167.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -48.11 -26.87 8.38 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 124.879 3.719 . . . . 0.0 116.057 -169.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -37.48 -44.53 0.66 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 127.307 2.243 . . . . 0.0 113.22 166.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 t -58.08 -34.55 70.27 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -58.82 -22.26 58.26 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.185 1.394 . . . . 0.0 113.329 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -51.84 -28.78 16.95 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 173.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -57.98 -19.13 28.35 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 56.68 64.59 4.57 Favored Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 125.598 1.559 . . . . 0.0 112.387 -176.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -53.94 157.54 10.39 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.87 2.38 . . . . 0.0 113.585 173.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -79.67 1.42 26.44 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.04 177.59 5.99 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.439 1.496 . . . . 0.0 113.959 -168.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -118.82 154.05 33.49 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.602 1.961 . . . . 0.0 111.333 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.8 mt -116.23 23.32 12.23 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.474 1.11 . . . . 0.0 112.751 -161.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.7 m -65.34 21.3 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 128.839 2.855 . . . . 0.0 117.626 -166.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 m80 58.23 144.08 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 127.875 2.47 . . . . 0.0 113.991 -161.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.28 22.37 60.86 Favored Glycine 0 CA--C 1.542 1.725 0 O-C-N 121.345 -0.847 . . . . 0.0 115.182 -176.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.3 t -65.4 115.08 5.29 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.994 1.318 . . . . 0.0 113.493 -170.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.13 75.99 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.664 1.186 . . . . 0.0 113.5 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -62.64 -40.87 98.38 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.661 -0.649 . . . . 0.0 111.935 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.6 t -66.16 -35.04 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.308 0.643 . . . . 0.0 111.083 177.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -62.9 -51.58 66.41 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 119.594 1.088 . . . . 0.0 111.714 171.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.33 -42.65 99.83 Favored Glycine 0 N--CA 1.472 1.084 0 C-N-CA 123.798 0.714 . . . . 0.0 112.903 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -63.64 -45.37 90.55 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.628 -0.924 . . . . 0.0 111.858 171.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.82 -45.92 69.0 Favored Glycine 0 CA--C 1.533 1.169 0 O-C-N 121.186 -0.946 . . . . 0.0 113.349 173.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -56.37 -43.98 79.71 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.586 1.154 . . . . 0.0 111.748 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -63.38 -47.45 82.0 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.049 0.939 . . . . 0.0 112.913 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.5 t -54.9 -44.84 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 118.969 0.804 . . . . 0.0 110.794 172.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.441 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -63.24 -47.06 84.06 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 177.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -59.71 -39.01 83.21 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.638 1.108 . . . . 0.0 112.156 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.8 -44.09 97.55 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 171.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.82 -39.58 89.53 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.334 -0.854 . . . . 0.0 111.793 172.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 85.3 m -59.54 -46.52 88.65 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 120.858 -1.151 . . . . 0.0 111.646 170.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -27.75 67.96 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.532 1.06 . . . . 0.0 112.353 177.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.63 -49.76 65.21 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 119.473 1.033 . . . . 0.0 110.721 166.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 76.4 t -55.36 -37.32 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 119.863 1.21 . . . . 0.0 111.915 176.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.61 -25.56 68.02 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 175.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -145.55 23.25 1.45 Allowed 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -163.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.464 HG21 ' CE2' ' A' ' 128' ' ' PHE . 3.1 p -60.61 -24.76 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 CA-C-N 122.234 2.288 . . . . 0.0 115.869 -157.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.4 -6.79 57.47 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.577 -1.327 . . . . 0.0 113.98 174.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -129.51 1.06 5.02 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 128.755 2.822 . . . . 0.0 112.811 -172.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -69.94 -9.93 0.17 Allowed Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 118.224 2.676 . . . . 0.0 118.224 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.58 ' HA ' HG13 ' A' ' 135' ' ' VAL . 6.8 Cg_exo -38.71 -42.28 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 123.842 3.028 . . . . 0.0 116.869 176.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -101.26 -7.92 22.61 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 175.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.6 -22.84 56.55 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.424 -1.422 . . . . 0.0 112.951 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.6 mt -92.41 10.57 29.43 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.009 0.822 . . . . 0.0 113.039 170.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.3 m -56.94 -32.83 66.4 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 120.362 1.437 . . . . 0.0 114.237 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.75 -29.98 70.48 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 119.766 1.166 . . . . 0.0 112.894 171.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mt -82.72 -36.76 25.54 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.421 1.089 . . . . 0.0 111.203 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.2 t -59.7 -41.94 91.9 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 122.222 -0.298 . . . . 0.0 111.402 167.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.53 -47.81 84.53 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.564 1.146 . . . . 0.0 112.115 173.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tp -47.57 -52.53 17.34 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.3 0.955 . . . . 0.0 111.783 166.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -34.93 76.04 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.456 -0.778 . . . . 0.0 113.012 -174.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.61 -26.44 17.86 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -175.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -104.33 -10.59 17.69 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.155 1.382 . . . . 0.0 113.283 -174.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -124.01 -57.2 1.62 Allowed 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 116.843 -1.551 . . . . 0.0 115.067 -174.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 mp -136.46 -77.48 0.42 Allowed 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 116.383 -1.77 . . . . 0.0 114.28 175.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 147.39 68.91 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.466 0 C-N-CA 131.039 3.736 . . . . 0.0 113.199 175.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 73.2 t -38.04 110.95 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 C-N-CA 126.515 1.926 . . . . 0.0 112.784 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -67.01 123.61 86.67 Favored Pre-proline 0 CA--C 1.54 0.56 0 C-N-CA 122.849 0.46 . . . . 0.0 112.233 -172.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.94 -38.83 44.57 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.327 2.018 . . . . 0.0 112.193 -177.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 52.5 t -64.93 -31.64 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 119.871 -1.768 . . . . 0.0 111.768 176.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -65.25 -30.18 71.03 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.202 0.91 . . . . 0.0 112.209 173.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -47.01 82.02 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.434 1.016 . . . . 0.0 111.71 172.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -57.11 -37.06 71.42 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 118.919 0.781 . . . . 0.0 111.737 -177.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 100' ' ' LEU . 5.1 mt -61.2 -59.37 5.42 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.798 0.839 . . . . 0.0 109.245 173.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -38.07 72.31 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.789 0.836 . . . . 0.0 112.345 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.6 t -57.2 -56.75 17.81 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.614 1.166 . . . . 0.0 112.515 171.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -30.53 71.57 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.097 -1.002 . . . . 0.0 111.379 178.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 79.7 m -69.54 -33.0 72.14 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 172.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 mt -69.75 -47.93 61.2 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 119.897 1.226 . . . . 0.0 110.841 169.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.5 mt -50.55 -40.99 53.44 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.572 -0.705 . . . . 0.0 111.611 171.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.0 t -57.35 -53.23 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 169.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.6 p -68.99 -30.86 69.36 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.454 1.024 . . . . 0.0 112.731 -177.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.6 -49.35 54.88 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.021 0.828 . . . . 0.0 110.5 173.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.47 -33.67 60.12 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 172.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.1 -9.3 45.25 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -131.3 -31.82 1.61 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -176.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.3 mp -83.34 173.01 8.1 Favored Pre-proline 0 CA--C 1.559 1.322 0 C-N-CA 124.379 1.072 . . . . 0.0 110.9 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -58.64 -138.9 0.0 OUTLIER 'Trans proline' 0 CA--C 1.552 1.391 1 C-N-CA 125.918 4.412 . . . . 0.0 114.857 167.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.88 39.51 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.695 1.998 . . . . 0.0 115.218 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -38.46 -28.95 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 130.46 3.504 . . . . 0.0 115.633 -176.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -71.97 8.39 1.25 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.925 2.09 . . . . 0.0 116.439 171.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.25 159.4 1.55 Allowed Pre-proline 0 N--CA 1.491 1.599 0 CA-C-N 121.361 1.891 . . . . 0.0 113.242 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -56.0 -44.68 44.8 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.103 1.868 . . . . 0.0 112.84 171.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.16 -59.75 3.76 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 119.31 -0.376 . . . . 0.0 110.288 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 24.5 t -68.05 -43.93 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 120.249 -1.532 . . . . 0.0 113.22 -171.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -69.73 -48.45 59.42 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 120.065 1.302 . . . . 0.0 112.358 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.06 84.88 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.853 1.206 . . . . 0.0 110.612 175.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.9 m -62.44 -51.76 66.24 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.49 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.85 -41.94 95.29 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 120.473 1.488 . . . . 0.0 112.809 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -58.32 -50.58 73.11 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 120.086 1.312 . . . . 0.0 111.848 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.35 -28.93 59.78 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.464 ' CE2' HG21 ' A' ' 73' ' ' VAL . 5.8 t80 -70.22 -46.12 65.14 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.565 1.075 . . . . 0.0 110.928 172.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.95 -37.19 81.5 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 120.243 -1.535 . . . . 0.0 110.523 172.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.18 -44.59 96.27 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 170.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 96.1 p -67.23 -40.39 86.34 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 120.598 1.545 . . . . 0.0 111.853 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 44.9 t -52.85 -49.19 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.613 1.165 . . . . 0.0 109.678 170.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.6 t -57.82 -54.58 45.26 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 172.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 96.8 m -51.53 -34.12 34.97 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.469 1.031 . . . . 0.0 112.303 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.58 HG13 ' HA ' ' A' ' 77' ' ' PRO . 58.9 t -79.45 -42.44 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 172.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.81 -32.65 65.93 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.182 -1.574 . . . . 0.0 112.744 173.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 44.4 p -97.48 -1.48 44.04 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.67 1.988 . . . . 0.0 112.787 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.473 0.718 0 CA-C-N 120.552 1.524 . . . . 0.0 113.756 177.404 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.312 2.4 p . . . . . 0 N--CA 1.514 2.744 0 CA-C-O 117.643 -1.17 . . . . 0.0 112.877 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 27.5 80.28 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 128.012 2.525 . . . . 0.0 116.475 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 mt -57.67 163.45 2.51 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.061 1.345 . . . . 0.0 111.962 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.36 156.4 81.32 Favored Pre-proline 0 N--CA 1.485 1.322 0 CA-C-O 118.489 -0.767 . . . . 0.0 109.577 161.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -56.93 -45.79 33.76 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.659 2.239 . . . . 0.0 114.767 175.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.71 -35.21 76.88 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.223 -0.923 . . . . 0.0 111.954 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.493 ' HG2' ' HB2' ' B' ' 129' ' ' ALA . 8.0 tt0 -69.47 -40.62 76.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.09 0.956 . . . . 0.0 110.865 176.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -60.62 -45.1 95.29 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.046 1.339 . . . . 0.0 111.492 171.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.1 t -54.66 -48.09 72.76 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.933 0.493 . . . . 0.0 110.659 175.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.22 -53.27 60.23 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 175.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.425 HG23 ' CE2' ' B' ' 130' ' ' TYR . 6.6 p -65.21 -43.1 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 CA-C-N 119.787 1.176 . . . . 0.0 111.903 -176.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -76.85 -31.15 56.65 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.713 -0.617 . . . . 0.0 111.706 -175.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.49 -40.68 76.9 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.331 1.423 . . . . 0.0 112.504 170.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.06 -29.31 68.24 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.272 -0.892 . . . . 0.0 111.41 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -65.1 -45.02 86.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.29 0.636 . . . . 0.0 112.079 164.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.67 -35.77 58.02 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.183 1.373 . . . . 0.0 115.075 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -90.01 -10.45 44.89 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 174.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.74 135.61 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.032 0.933 . . . . 0.0 112.005 -169.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -83.02 80.67 8.97 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 46.6 t -49.95 -40.32 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 124.447 1.099 . . . . 0.0 113.727 -168.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -70.37 -35.88 73.81 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.89 0.876 . . . . 0.0 113.125 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -89.81 -49.82 6.4 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.312 -0.867 . . . . 0.0 111.346 -175.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.431 HG22 HG13 ' B' ' 113' ' ' VAL . 0.5 OUTLIER -59.52 -35.02 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 123.485 0.714 . . . . 0.0 111.002 169.2 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.43 -46.75 67.53 Favored Glycine 0 C--N 1.339 0.747 0 O-C-N 120.79 -1.194 . . . . 0.0 111.765 176.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.74 -44.18 95.96 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-N 117.51 0.655 . . . . 0.0 112.684 172.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -65.6 -34.92 79.37 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 124.003 0.921 . . . . 0.0 112.692 173.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.61 ' HB2' HG11 ' B' ' 113' ' ' VAL . . . -65.33 -54.74 24.48 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 120.718 1.599 . . . . 0.0 109.822 176.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 tp -68.62 -40.96 80.15 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.153 -174.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.403 ' O ' HG13 ' B' ' 33' ' ' VAL . . . -49.42 -58.12 8.49 Favored Glycine 0 CA--C 1.528 0.844 0 CA-C-O 119.052 -0.86 . . . . 0.0 112.515 163.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 37.7 ttt-85 -49.93 -31.86 13.43 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 125.441 1.496 . . . . 0.0 114.15 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tt -79.59 -51.12 9.69 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.177 1.353 . . . . 0.0 112.137 171.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.426 ' HB3' HD11 ' B' ' 48' ' ' LEU . 6.3 mp -73.68 -14.38 61.14 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.373 -0.829 . . . . 0.0 111.881 -171.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.403 HG13 ' O ' ' B' ' 29' ' ' GLY . 34.5 m -85.88 -12.31 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -65.31 11.58 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 CA-C-N 122.07 2.214 . . . . 0.0 113.296 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . 0.402 ' H ' ' C ' ' B' ' 33' ' ' VAL . 1.5 t80 36.54 41.24 0.23 Allowed Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 128.54 2.736 . . . . 0.0 114.413 -157.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -76.5 165.1 29.64 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 121.577 1.518 . . . . 0.0 110.061 -174.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 31.5 p90 -51.69 -30.45 22.13 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.266 -0.896 . . . . 0.0 112.261 166.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.63 -31.34 24.92 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.059 1.344 . . . . 0.0 114.081 172.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -59.59 -19.37 48.32 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.777 1.171 . . . . 0.0 113.21 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -62.87 -16.86 60.41 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 120.312 -1.492 . . . . 0.0 113.956 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.33 -1.21 57.9 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 172.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 0.505 ' HB2' HD13 ' B' ' 48' ' ' LEU . 1.6 p90 -62.79 -10.05 11.6 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 117.168 2.284 . . . . 0.0 117.168 -163.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -51.59 -26.35 8.61 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 176.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.414 ' O ' ' HE3' ' B' ' 59' ' ' LYS . 34.2 p -86.86 8.57 22.36 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.249 1.42 . . . . 0.0 114.622 174.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -115.33 -14.88 11.63 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.676 1.19 . . . . 0.0 113.822 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.29 -146.25 24.85 Favored Glycine 0 CA--C 1.536 1.368 0 CA-C-N 120.917 1.689 . . . . 0.0 112.904 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.62 117.93 3.76 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.647 0.779 . . . . 0.0 112.004 176.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.505 HD13 ' HB2' ' B' ' 42' ' ' PHE . 8.7 tt -153.83 -23.51 0.14 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -174.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 4.0 m -58.2 -8.1 1.01 Allowed 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -169.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 34.1 p -142.55 163.6 37.94 Favored Pre-proline 0 N--CA 1.474 0.732 0 C-N-CA 127.573 2.349 . . . . 0.0 109.578 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -57.26 -49.25 14.48 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.074 1.849 . . . . 0.0 112.6 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.37 -38.54 84.23 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.912 0.885 . . . . 0.0 111.867 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.78 -60.62 3.54 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 122.867 0.467 . . . . 0.0 111.257 173.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 p -66.14 -39.02 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -171.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 44.0 mtt -77.72 -21.91 51.2 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -173.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.86 -19.6 19.17 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 124.357 0.979 . . . . 0.0 114.639 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.699 HD22 HG23 ' B' ' 60' ' ' VAL . 13.4 t30 -68.14 125.69 91.81 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 124.642 1.177 . . . . 0.0 113.811 -172.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -63.65 -39.07 36.98 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.136 2.558 . . . . 0.0 113.532 -171.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.414 ' HE3' ' O ' ' B' ' 44' ' ' SER . 44.1 tttp -63.96 -34.93 79.08 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.653 1.115 . . . . 0.0 113.102 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.699 HG23 HD22 ' B' ' 57' ' ' ASN . 63.3 t -65.18 -46.17 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.946 0.899 . . . . 0.0 110.7 169.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -64.49 -40.05 94.94 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.169 0.895 . . . . 0.0 112.252 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.88 -33.71 72.59 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.569 1.548 . . . . 0.0 114.044 175.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.2 -38.67 82.22 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.404 -1.435 . . . . 0.0 111.022 164.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.18 -51.06 32.1 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 125.165 1.364 . . . . 0.0 113.445 168.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -52.92 -40.55 63.66 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.329 1.452 . . . . 0.0 113.204 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -52.09 11.23 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.756 0.822 . . . . 0.0 112.473 -178.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 16.5 m -56.7 -40.78 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 CA-C-N 119.545 1.066 . . . . 0.0 111.433 174.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tt -84.51 -35.1 23.15 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.032 -1.043 . . . . 0.0 112.905 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.09 -40.19 82.33 Favored Glycine 0 CA--C 1.535 1.31 0 O-C-N 121.235 -0.916 . . . . 0.0 112.002 165.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.89 -46.54 74.59 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.837 -0.802 . . . . 0.0 112.859 170.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -54.27 -33.62 59.03 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 121.147 1.794 . . . . 0.0 112.528 170.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -41.19 74.95 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 170.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -55.01 -33.3 62.5 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.799 1.181 . . . . 0.0 111.697 169.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.14 -63.72 4.92 Favored Glycine 0 C--N 1.339 0.729 0 CA-C-O 119.275 -0.736 . . . . 0.0 111.38 166.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.5 mt -53.14 -22.08 5.85 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.2 -25.5 25.61 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.726 1.61 . . . . 0.0 114.886 174.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -144.34 43.96 1.41 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.631 1.572 . . . . 0.0 112.824 -170.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.54 -18.76 32.04 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.43 -38.37 71.5 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.241 1.416 . . . . 0.0 114.084 176.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -158.04 90.65 1.07 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.967 0.907 . . . . 0.0 112.706 177.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.8 mt -65.55 -27.07 68.17 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -67.36 4.28 1.03 Allowed 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 -174.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -122.01 -42.02 0.46 Allowed Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.736 1.636 . . . . 0.0 112.999 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 5.7 p -71.11 -24.84 62.37 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.382 1.091 . . . . 0.0 113.562 173.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -106.37 -3.52 20.99 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.45 -41.28 65.95 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 120.212 1.369 . . . . 0.0 114.51 -171.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 14.9 p -64.94 -34.59 78.77 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.371 1.068 . . . . 0.0 112.695 173.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 43.4 mt -74.49 -37.38 63.18 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.534 1.134 . . . . 0.0 111.286 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -60.98 -44.61 97.13 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.457 1.026 . . . . 0.0 111.017 169.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -60.17 -38.86 84.46 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.666 0.786 . . . . 0.0 112.01 171.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.1 tp -69.4 -57.54 5.15 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.211 -0.93 . . . . 0.0 111.809 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -73.52 -12.54 60.81 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -176.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 79.4 m -109.72 -90.51 0.47 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.126 0.971 . . . . 0.0 110.5 167.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -51.7 -34.59 39.36 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -166.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -86.92 -53.31 4.97 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.306 1.042 . . . . 0.0 113.627 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 51.6 mt -105.48 -33.24 8.19 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.061 1.344 . . . . 0.0 113.176 -170.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 42.04 30.84 0.2 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 128.039 2.536 . . . . 0.0 115.516 -174.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -57.8 145.99 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 121.284 -0.885 . . . . 0.0 110.687 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -58.66 130.66 85.43 Favored Pre-proline 0 CA--C 1.547 0.855 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -160.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -62.85 -37.46 54.91 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 122.53 2.153 . . . . 0.0 114.367 -164.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.81 -28.04 5.82 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 120.404 -1.435 . . . . 0.0 114.364 171.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.84 -34.86 76.72 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.18 -0.95 . . . . 0.0 112.114 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . 0.574 ' CE1' ' HB1' ' B' ' 138' ' ' ALA . 1.4 p90 -64.45 -40.91 96.62 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.776 1.625 . . . . 0.0 111.053 175.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -63.41 -47.14 83.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.035 0.534 . . . . 0.0 109.698 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 96.8 mt -56.08 -49.16 74.58 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.92 174.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.66 -43.32 97.77 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.608 1.095 . . . . 0.0 110.859 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.99 -56.03 27.38 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.262 0.934 . . . . 0.0 113.91 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.91 -40.36 88.58 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.212 1.006 . . . . 0.0 111.086 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 14.3 t -59.91 -42.47 89.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 118.421 -0.8 . . . . 0.0 112.443 175.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.402 ' O ' HG12 ' B' ' 113' ' ' VAL . 6.9 tp -57.0 -52.98 63.11 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 118.722 0.692 . . . . 0.0 110.809 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.413 HG12 ' HB3' ' B' ' 130' ' ' TYR . 0.9 OUTLIER -54.93 -39.55 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 118.473 0.578 . . . . 0.0 109.809 -177.605 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 11.0 t -73.18 -33.12 65.25 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . 0.61 HG11 ' HB2' ' B' ' 27' ' ' ALA . 1.9 p -61.94 -37.26 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 121.291 1.86 . . . . 0.0 111.747 171.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 mt -63.89 -35.93 82.25 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.812 -0.555 . . . . 0.0 110.073 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.33 -34.02 74.02 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 170.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -59.01 -60.33 4.05 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 120.641 1.564 . . . . 0.0 110.268 168.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -71.22 -26.27 62.86 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -167.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -130.34 40.47 3.52 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.609 1.164 . . . . 0.0 112.381 -176.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -55.55 -5.34 0.79 Allowed Glycine 0 CA--C 1.541 1.69 0 C-N-CA 126.505 2.002 . . . . 0.0 117.328 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -84.96 -21.71 29.46 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.833 1.317 . . . . 0.0 113.264 170.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -135.64 6.01 3.19 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.777 1.631 . . . . 0.0 113.17 -170.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -61.64 30.03 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 128.907 2.883 . . . . 0.0 116.98 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 16.3 p -42.41 148.15 0.54 Allowed Pre-proline 0 N--CA 1.481 1.121 0 C-N-CA 125.74 1.616 . . . . 0.0 115.211 -167.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -43.93 -46.75 10.64 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 122.591 2.194 . . . . 0.0 114.633 172.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.6 -32.58 18.96 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.724 1.616 . . . . 0.0 114.773 173.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.53 -39.56 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-N 122.25 2.296 . . . . 0.0 112.061 177.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -63.32 -41.58 98.92 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.286 0.634 . . . . 0.0 110.808 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.75 -41.1 96.16 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 173.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . 0.493 ' HB2' ' HG2' ' B' ' 7' ' ' GLU . . . -59.18 -47.76 84.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 119.233 0.924 . . . . 0.0 111.962 172.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.425 ' CE2' HG23 ' B' ' 11' ' ' VAL . 10.8 m-85 -52.08 -50.33 61.78 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 118.865 -0.588 . . . . 0.0 111.026 167.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -57.14 -38.18 73.11 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.543 1.065 . . . . 0.0 113.357 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -72.31 -44.02 63.32 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.617 1.553 . . . . 0.0 112.268 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 23.0 m -63.1 -38.57 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 119.921 1.237 . . . . 0.0 110.992 172.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 22.4 t -61.12 -43.29 96.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 124.962 1.305 . . . . 0.0 111.849 172.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -70.08 -34.67 73.47 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.633 1.106 . . . . 0.0 112.477 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.05 -49.19 77.59 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 121.392 -0.818 . . . . 0.0 111.357 167.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 22.6 t -56.83 -46.07 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.755 0.822 . . . . 0.0 112.192 175.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 138' ' ' ALA . . . . . 0.574 ' HB1' ' CE1' ' B' ' 103' ' ' PHE . . . -51.54 -54.89 22.64 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.533 1.133 . . . . 0.0 111.971 173.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -58.79 -39.85 82.31 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 176.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.34 -50.43 67.78 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.845 0.748 . . . . 0.0 112.321 177.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.68 -42.26 99.53 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.175 -0.953 . . . . 0.0 111.47 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.75 -11.52 37.32 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -62.71 -18.44 62.49 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 120.563 1.529 . . . . 0.0 114.264 -173.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -87.08 1.55 52.59 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.31 1.444 . . . . 0.0 113.906 171.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.555 1.172 0 C-N-CA 125.929 1.692 . . . . 0.0 114.768 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.269 5.7 p . . . . . 0 N--CA 1.508 2.464 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 57.7 mt -136.33 -172.48 3.15 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.499 1.5 . . . . 0.0 112.724 -174.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.39 158.68 60.59 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 126.902 2.081 . . . . 0.0 112.467 -172.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.02 -30.01 9.44 Favored 'Trans proline' 0 CA--C 1.537 0.637 0 C-N-CA 123.047 2.498 . . . . 0.0 113.616 -173.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.32 -33.03 55.62 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.643 -0.661 . . . . 0.0 112.547 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.69 -41.24 79.45 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.338 -0.851 . . . . 0.0 112.686 -173.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -58.26 -45.33 88.03 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 118.069 -0.967 . . . . 0.0 111.683 171.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 40.2 m -57.41 -45.86 84.14 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 120.08 1.309 . . . . 0.0 111.951 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -66.74 -39.63 88.01 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 178.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 58.0 t -73.62 -38.13 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.727 177.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -55.81 -48.29 75.67 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 120.181 1.355 . . . . 0.0 110.936 169.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.25 -52.36 65.66 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.233 0.613 . . . . 0.0 111.397 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.13 -48.8 77.76 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -64.09 -30.19 71.28 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.39 -43.66 94.6 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.733 1.159 . . . . 0.0 113.239 171.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -66.07 -37.13 85.04 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 118.288 1.044 . . . . 0.0 111.749 172.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.13 -49.79 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 124.915 1.286 . . . . 0.0 112.706 177.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.57 -145.44 6.36 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 123.947 0.784 . . . . 0.0 114.572 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.37 -22.8 54.94 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -67.28 -7.8 27.05 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 174.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.425 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -45.54 -43.02 11.54 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.769 1.227 . . . . 0.0 113.853 175.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.11 -37.18 92.83 Favored Glycine 0 CA--C 1.528 0.857 0 O-C-N 122.024 -0.422 . . . . 0.0 113.591 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -44.61 82.7 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.293 1.037 . . . . 0.0 111.081 174.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -63.58 -39.78 95.26 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.167 0.587 . . . . 0.0 112.035 175.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.97 -59.69 10.4 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 124.289 0.947 . . . . 0.0 111.621 169.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.47 -53.28 47.75 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.58 1.152 . . . . 0.0 112.903 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -61.23 -35.74 78.04 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 123.497 0.719 . . . . 0.0 112.166 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.439 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -60.57 -40.58 92.2 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 118.939 0.79 . . . . 0.0 111.971 175.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mt -65.77 -45.61 81.87 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.345 0.521 . . . . 0.0 111.045 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -57.21 -42.48 81.39 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.944 0.898 . . . . 0.0 109.961 177.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -44.59 93.82 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 117.045 -1.455 . . . . 0.0 111.529 174.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 45.2 mtm -56.99 -51.4 69.36 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 119.751 1.159 . . . . 0.0 112.262 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.33 -49.06 70.61 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.596 0.758 . . . . 0.0 110.363 -178.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 41.0 mt -71.0 -40.54 71.76 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.26 0.624 . . . . 0.0 111.835 -177.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 93.2 p -82.2 -30.88 30.64 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -172.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -142.8 66.9 17.99 Favored Pre-proline 0 CA--C 1.542 0.635 0 C-N-CA 125.329 1.452 . . . . 0.0 109.598 -167.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -48.28 -26.92 8.93 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 124.918 3.745 . . . . 0.0 116.002 -169.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -37.16 -44.58 0.57 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 127.362 2.265 . . . . 0.0 113.291 166.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 5.0 t -58.12 -34.48 70.28 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -178.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -58.88 -22.38 59.16 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.363 1.465 . . . . 0.0 113.33 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -51.87 -28.65 16.76 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 173.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -57.99 -19.26 29.45 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 56.71 64.52 4.61 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 125.468 1.507 . . . . 0.0 112.562 -176.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -53.84 157.65 9.93 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 C-N-CA 122.897 2.398 . . . . 0.0 113.518 173.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -79.8 1.37 27.07 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -124.95 177.54 5.99 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.455 1.502 . . . . 0.0 114.014 -168.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -118.67 154.12 33.23 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.65 1.98 . . . . 0.0 111.327 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 20.4 mt -116.19 23.27 12.28 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.502 1.121 . . . . 0.0 112.8 -161.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 16.8 m -65.3 21.21 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 128.943 2.897 . . . . 0.0 117.539 -166.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 m80 58.16 144.0 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.934 2.494 . . . . 0.0 114.044 -160.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.4 22.44 61.23 Favored Glycine 0 CA--C 1.543 1.798 0 O-C-N 121.264 -0.897 . . . . 0.0 115.024 -176.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 48.1 t -65.46 115.06 5.31 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.017 1.327 . . . . 0.0 113.56 -170.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -40.26 76.1 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.733 1.213 . . . . 0.0 113.437 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -62.51 -41.02 98.56 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.655 -0.653 . . . . 0.0 111.888 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 41.2 t -65.99 -35.21 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 123.332 0.653 . . . . 0.0 111.111 177.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -62.78 -51.65 66.25 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 119.596 1.089 . . . . 0.0 111.634 171.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.38 -42.66 99.83 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 123.974 0.797 . . . . 0.0 112.818 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -63.74 -45.31 90.46 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.694 -0.886 . . . . 0.0 111.897 171.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.75 -45.9 68.42 Favored Glycine 0 CA--C 1.534 1.226 0 O-C-N 121.178 -0.951 . . . . 0.0 113.375 173.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -56.55 -43.83 80.29 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.564 1.146 . . . . 0.0 111.699 172.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -63.44 -47.49 81.66 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.003 0.921 . . . . 0.0 112.86 175.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 91.7 t -54.84 -44.94 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 119.043 0.838 . . . . 0.0 110.757 172.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 63' ' ' ALA . . . . . 0.425 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -63.06 -47.02 84.71 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 176.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -59.88 -39.04 83.96 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.654 1.116 . . . . 0.0 112.119 175.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 65' ' ' ALA . . . . . 0.405 ' HB1' HD11 ' C' ' 83' ' ' LEU . . . -61.55 -44.25 97.37 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 170.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -39.47 88.6 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.422 -0.799 . . . . 0.0 111.849 172.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 85.1 m -59.58 -46.64 88.32 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.873 -1.142 . . . . 0.0 111.566 170.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -27.81 68.07 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.545 1.066 . . . . 0.0 112.455 177.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.57 -49.76 65.32 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 119.489 1.041 . . . . 0.0 110.758 166.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 77.4 t -55.32 -37.38 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 119.961 1.255 . . . . 0.0 111.833 176.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.75 -25.38 67.9 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -145.41 22.64 1.49 Allowed 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -163.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.468 HG21 ' CE2' ' C' ' 128' ' ' PHE . 3.1 p -60.34 -24.64 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 CA-C-N 122.264 2.302 . . . . 0.0 115.946 -156.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.61 -6.71 57.35 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 120.558 -1.339 . . . . 0.0 113.999 174.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -129.59 1.16 4.98 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 128.777 2.831 . . . . 0.0 112.804 -172.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -69.81 -10.2 0.18 Allowed Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 118.203 2.668 . . . . 0.0 118.203 -178.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . 0.596 ' HA ' HG13 ' C' ' 135' ' ' VAL . 7.0 Cg_exo -38.74 -41.97 1.78 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 123.712 2.942 . . . . 0.0 117.002 176.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -101.47 -7.93 22.41 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 175.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.55 -22.8 56.73 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.398 -1.439 . . . . 0.0 113.11 175.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 17.6 mt -92.48 10.59 29.52 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 118.917 0.78 . . . . 0.0 112.954 170.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 39.0 m -56.88 -32.76 66.17 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.454 1.479 . . . . 0.0 114.218 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.78 -30.11 70.58 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 119.749 1.159 . . . . 0.0 112.891 171.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 83' ' ' LEU . . . . . 0.405 HD11 ' HB1' ' C' ' 65' ' ' ALA . 8.3 mt -82.56 -36.79 25.94 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.597 1.159 . . . . 0.0 111.208 177.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 17.6 t -59.82 -41.95 92.43 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 122.196 -0.315 . . . . 0.0 111.341 167.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.5 -47.82 84.48 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.495 1.118 . . . . 0.0 112.11 173.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 tp -47.7 -52.43 18.38 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.144 0.884 . . . . 0.0 111.741 166.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -34.93 76.07 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -174.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.75 -26.28 17.81 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -175.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -104.46 -10.59 17.58 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.14 1.376 . . . . 0.0 113.251 -174.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -123.97 -57.24 1.62 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -174.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 1.5 mp -136.51 -77.54 0.42 Allowed 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 116.258 -1.829 . . . . 0.0 114.282 175.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 147.52 69.02 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 130.992 3.717 . . . . 0.0 113.012 175.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 72.6 t -38.12 110.93 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 C-N-CA 126.592 1.957 . . . . 0.0 112.803 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -66.93 123.81 87.1 Favored Pre-proline 0 CA--C 1.54 0.587 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -172.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -63.25 -38.73 42.47 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.307 2.005 . . . . 0.0 112.156 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.91 -31.56 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 119.946 -1.721 . . . . 0.0 111.75 176.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -65.43 -30.07 70.83 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.226 0.921 . . . . 0.0 112.272 173.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -46.83 82.54 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.407 1.003 . . . . 0.0 111.786 172.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -57.2 -36.82 71.32 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.926 0.785 . . . . 0.0 111.811 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.42 -59.29 5.48 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.764 0.826 . . . . 0.0 109.274 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -38.24 72.28 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.829 0.852 . . . . 0.0 112.38 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 29.3 t -57.16 -57.14 13.91 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.686 1.194 . . . . 0.0 112.346 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -30.09 71.14 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.332 -0.855 . . . . 0.0 111.324 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 104' ' ' CYS . . . . . 0.439 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 78.8 m -69.81 -32.61 71.15 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 172.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.07 -48.01 59.58 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 119.862 1.21 . . . . 0.0 110.876 169.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 6.6 mt -50.3 -41.05 50.28 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.667 -0.646 . . . . 0.0 111.708 171.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 4.0 t -57.41 -53.18 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 169.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 4.3 p -69.02 -30.81 69.25 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.359 0.981 . . . . 0.0 112.742 -177.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.55 -49.41 54.63 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.944 0.793 . . . . 0.0 110.569 173.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.63 -33.18 60.18 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 172.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.5 -9.12 46.91 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 176.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -131.51 -31.72 1.57 Allowed 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -176.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 9.3 mp -83.4 172.99 8.11 Favored Pre-proline 0 CA--C 1.56 1.341 0 C-N-CA 124.308 1.043 . . . . 0.0 110.904 176.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -58.71 -138.89 0.0 OUTLIER 'Trans proline' 0 CA--C 1.55 1.32 1 C-N-CA 125.817 4.345 . . . . 0.0 114.926 167.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.76 39.32 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.706 2.003 . . . . 0.0 115.222 175.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -38.43 -28.89 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 130.369 3.468 . . . . 0.0 115.679 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -72.0 8.52 1.22 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.721 2.008 . . . . 0.0 116.414 171.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.24 159.4 1.55 Allowed Pre-proline 0 N--CA 1.493 1.717 0 CA-C-N 121.478 1.944 . . . . 0.0 113.197 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -56.05 -44.59 45.48 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 122.059 1.839 . . . . 0.0 112.86 171.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.16 -59.64 3.88 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 119.366 -0.349 . . . . 0.0 110.353 174.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 24.4 t -68.16 -43.88 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 120.321 -1.487 . . . . 0.0 113.184 -171.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -69.8 -48.49 58.94 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 120.024 1.284 . . . . 0.0 112.323 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.47 -43.36 84.0 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 119.852 1.205 . . . . 0.0 110.616 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 54.6 m -62.34 -51.85 66.01 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.468 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.8 -42.0 95.36 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 120.537 1.517 . . . . 0.0 112.757 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.35 -50.48 73.51 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 120.091 1.314 . . . . 0.0 111.816 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 -29.1 59.87 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 128' ' ' PHE . . . . . 0.468 ' CE2' HG21 ' C' ' 73' ' ' VAL . 5.7 t80 -70.16 -46.14 65.31 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.576 1.08 . . . . 0.0 110.896 172.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.99 -37.13 81.42 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.396 -1.44 . . . . 0.0 110.413 172.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.55 96.34 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.817 1.044 . . . . 0.0 113.817 171.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 95.3 p -67.38 -40.48 85.72 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 120.413 1.461 . . . . 0.0 111.891 176.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 45.5 t -52.57 -49.37 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.641 1.177 . . . . 0.0 109.701 169.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 30.6 t -57.83 -54.58 45.25 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 172.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 96.9 m -51.38 -34.3 33.68 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.471 1.032 . . . . 0.0 112.247 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 135' ' ' VAL . . . . . 0.596 HG13 ' HA ' ' C' ' 77' ' ' PRO . 58.1 t -79.37 -42.58 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 123.715 0.806 . . . . 0.0 112.961 173.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -32.49 66.01 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.129 -1.607 . . . . 0.0 112.794 173.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 44.5 p -97.57 -1.37 44.04 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.658 1.983 . . . . 0.0 112.724 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 N--CA 1.472 0.636 0 CA-C-N 120.609 1.55 . . . . 0.0 113.81 177.397 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.314 2.4 p . . . . . 0 N--CA 1.514 2.738 0 CA-C-O 117.571 -1.204 . . . . 0.0 112.964 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 27.57 80.07 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 127.851 2.46 . . . . 0.0 116.585 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 mt -57.5 163.44 2.39 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.037 1.335 . . . . 0.0 111.961 174.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.31 156.45 81.44 Favored Pre-proline 0 N--CA 1.485 1.283 0 CA-C-O 118.453 -0.784 . . . . 0.0 109.5 161.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -57.05 -45.83 33.13 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 122.661 2.241 . . . . 0.0 114.754 175.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.58 -35.33 77.23 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.294 -0.879 . . . . 0.0 111.986 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 7' ' ' GLU . . . . . 0.489 ' HG2' ' HB2' ' D' ' 129' ' ' ALA . 7.9 tt0 -69.3 -40.85 77.45 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.263 1.025 . . . . 0.0 111.022 176.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -60.45 -45.19 94.57 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.879 1.272 . . . . 0.0 111.587 171.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 34.0 t -54.47 -48.06 72.24 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 122.924 0.49 . . . . 0.0 110.764 175.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.25 -53.11 62.02 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 11' ' ' VAL . . . . . 0.427 HG23 ' CE2' ' D' ' 130' ' ' TYR . 6.3 p -65.59 -42.82 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 119.865 1.211 . . . . 0.0 111.781 -176.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -76.8 -31.32 56.88 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 118.414 0.552 . . . . 0.0 111.752 -175.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.4 -40.84 77.11 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.48 -1.387 . . . . 0.0 112.585 171.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tt -67.72 -29.5 68.75 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.159 -0.963 . . . . 0.0 111.635 173.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -64.95 -45.17 86.85 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.374 0.669 . . . . 0.0 112.08 164.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.6 -35.83 57.79 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.381 1.467 . . . . 0.0 115.007 -176.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -89.91 -10.59 44.61 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 174.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.75 135.67 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 123.917 0.887 . . . . 0.0 111.955 -169.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -83.01 80.96 8.88 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 172.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 46.7 t -50.22 -40.27 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 124.452 1.101 . . . . 0.0 113.653 -168.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.32 -35.56 73.72 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.867 0.867 . . . . 0.0 113.245 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -90.3 -49.68 6.4 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.36 -0.837 . . . . 0.0 111.311 -175.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . 0.433 HG22 HG13 ' D' ' 113' ' ' VAL . 0.5 OUTLIER -59.64 -35.1 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 123.559 0.744 . . . . 0.0 110.843 169.053 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.18 -46.95 67.15 Favored Glycine 0 N--CA 1.468 0.773 0 CA-C-N 119.934 1.243 . . . . 0.0 111.695 176.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.61 -44.13 95.76 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 117.573 0.686 . . . . 0.0 112.744 172.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -65.75 -34.76 78.92 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 124.104 0.962 . . . . 0.0 112.671 174.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' ALA . . . . . 0.609 ' HB2' HG11 ' D' ' 113' ' ' VAL . . . -65.59 -54.54 26.36 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.57 1.532 . . . . 0.0 109.925 176.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' D' ' 28' ' ' LEU . 8.3 tp -68.65 -40.87 80.03 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.17 -174.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.33 -58.67 7.79 Favored Glycine 0 N--CA 1.469 0.845 0 CA-C-O 119.031 -0.871 . . . . 0.0 112.421 163.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 -49.44 -31.92 10.8 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.587 1.555 . . . . 0.0 114.185 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tt -79.72 -51.07 9.67 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.251 1.387 . . . . 0.0 112.028 171.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . 0.426 ' HB3' HD11 ' D' ' 48' ' ' LEU . 6.3 mp -73.66 -14.58 61.18 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.399 -0.813 . . . . 0.0 111.842 -171.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' VAL . . . . . 0.401 ' C ' ' H ' ' D' ' 35' ' ' TYR . 34.9 m -85.67 -12.19 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -65.47 11.7 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 CA-C-N 122.13 2.241 . . . . 0.0 113.246 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' TYR . . . . . 0.401 ' H ' ' C ' ' D' ' 33' ' ' VAL . 1.5 t80 36.47 41.37 0.24 Allowed Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 128.554 2.742 . . . . 0.0 114.401 -157.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -76.52 165.04 29.71 Favored 'Trans proline' 0 C--N 1.357 1.026 0 C-N-CA 121.62 1.547 . . . . 0.0 109.968 -174.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 31.7 p90 -51.62 -30.24 20.61 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.233 -0.917 . . . . 0.0 112.349 166.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -31.32 27.9 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.993 1.317 . . . . 0.0 114.057 172.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -59.41 -19.53 47.94 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.823 1.192 . . . . 0.0 113.237 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -62.88 -16.85 60.43 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 120.328 -1.482 . . . . 0.0 113.884 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.32 -1.29 57.94 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 172.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 42' ' ' PHE . . . . . 0.519 ' HB2' HD13 ' D' ' 48' ' ' LEU . 1.6 p90 -62.91 -9.9 11.48 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 117.081 2.252 . . . . 0.0 117.081 -163.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -51.7 -26.3 9.03 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . 0.417 ' O ' ' HE3' ' D' ' 59' ' ' LYS . 34.0 p -86.74 8.47 22.49 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.278 1.431 . . . . 0.0 114.688 174.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -115.35 -14.97 11.6 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.639 1.175 . . . . 0.0 113.815 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.3 -146.27 24.85 Favored Glycine 0 CA--C 1.535 1.322 0 CA-C-N 120.709 1.595 . . . . 0.0 112.865 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.61 117.79 3.65 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.692 0.797 . . . . 0.0 112.04 176.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 48' ' ' LEU . . . . . 0.519 HD13 ' HB2' ' D' ' 42' ' ' PHE . 8.7 tt -153.63 -23.55 0.14 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -174.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 4.0 m -58.32 -7.91 1.0 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 116.38 1.992 . . . . 0.0 116.38 -169.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 50' ' ' THR . . . . . 0.402 ' HB ' ' HD2' ' D' ' 51' ' ' PRO . 34.4 p -142.8 163.68 36.95 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 127.561 2.345 . . . . 0.0 109.453 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 51' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' D' ' 50' ' ' THR . 5.6 Cg_endo -57.36 -49.26 14.28 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 121.973 1.782 . . . . 0.0 112.649 176.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.38 -38.51 84.15 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.9 0.88 . . . . 0.0 111.958 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.67 -60.72 3.38 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.88 0.472 . . . . 0.0 111.284 173.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 1.3 p -66.14 -39.01 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -171.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 44.2 mtt -77.62 -22.0 51.42 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -173.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.63 -19.73 19.31 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.364 0.983 . . . . 0.0 114.481 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 57' ' ' ASN . . . . . 0.698 HD22 HG23 ' D' ' 60' ' ' VAL . 13.1 t30 -68.14 125.73 91.85 Favored Pre-proline 0 CA--C 1.548 0.893 0 CA-C-N 118.57 1.185 . . . . 0.0 113.835 -172.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.75 -38.91 37.02 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.079 2.519 . . . . 0.0 113.61 -171.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 59' ' ' LYS . . . . . 0.417 ' HE3' ' O ' ' D' ' 44' ' ' SER . 44.0 tttp -63.99 -35.0 79.28 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.621 1.101 . . . . 0.0 113.146 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 60' ' ' VAL . . . . . 0.698 HG23 HD22 ' D' ' 57' ' ' ASN . 64.6 t -64.96 -46.37 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.914 0.885 . . . . 0.0 110.695 169.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -64.31 -40.03 95.11 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 119.171 0.896 . . . . 0.0 112.42 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.9 -33.6 72.4 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.435 1.494 . . . . 0.0 114.203 175.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.13 -38.72 82.52 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.472 -1.392 . . . . 0.0 111.165 164.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.13 -51.04 31.92 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.205 1.383 . . . . 0.0 113.416 168.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -52.94 -40.5 63.7 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.297 1.439 . . . . 0.0 113.232 171.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -51.95 11.5 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.715 0.806 . . . . 0.0 112.473 -178.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 16.7 m -56.87 -40.58 72.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 CA-C-N 119.533 1.06 . . . . 0.0 111.389 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tt -84.73 -35.1 22.7 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.964 -1.085 . . . . 0.0 112.756 -175.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.09 -40.39 82.96 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 121.424 -0.798 . . . . 0.0 111.852 165.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.73 -46.57 75.02 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 117.835 0.818 . . . . 0.0 112.986 170.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -54.23 -33.69 58.95 Favored 'General case' 0 CA--C 1.556 1.194 0 CA-C-N 121.002 1.728 . . . . 0.0 112.586 170.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -41.18 75.26 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 170.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -55.21 -33.15 62.82 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.748 1.158 . . . . 0.0 111.72 169.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.07 -63.96 4.71 Favored Glycine 0 C--N 1.338 0.676 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 166.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.5 mt -53.08 -21.97 5.42 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.18 -25.59 25.59 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.821 1.648 . . . . 0.0 114.93 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -144.29 44.01 1.42 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.537 1.535 . . . . 0.0 112.902 -170.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.64 -18.64 32.24 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.36 -38.56 71.57 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.212 1.405 . . . . 0.0 114.085 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -157.97 90.76 1.08 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.928 0.891 . . . . 0.0 112.77 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 71.4 mt -65.55 -27.06 68.17 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -67.33 4.34 1.0 Allowed 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -174.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -122.0 -42.23 0.45 Allowed Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.738 1.637 . . . . 0.0 112.98 176.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 5.8 p -70.96 -24.97 62.52 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.352 1.076 . . . . 0.0 113.481 173.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -106.19 -3.72 21.05 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.42 -41.18 65.76 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 120.099 1.318 . . . . 0.0 114.522 -171.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 15.0 p -64.89 -34.61 78.79 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.325 1.05 . . . . 0.0 112.788 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 43.3 mt -74.35 -37.6 63.46 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.455 1.102 . . . . 0.0 111.286 175.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -60.8 -44.68 96.54 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.391 0.996 . . . . 0.0 111.045 170.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -60.22 -38.77 84.4 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.621 0.768 . . . . 0.0 111.971 171.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 15.1 tp -69.36 -57.52 5.19 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.087 -1.008 . . . . 0.0 111.87 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -73.7 -12.44 60.73 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -176.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 78.4 m -109.7 -90.35 0.47 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.032 0.933 . . . . 0.0 110.538 167.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -51.7 -34.61 39.44 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 116.196 1.925 . . . . 0.0 116.196 -167.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -87.02 -53.24 4.98 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.381 1.072 . . . . 0.0 113.77 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 52.4 mt -105.44 -33.24 8.2 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.067 1.347 . . . . 0.0 113.223 -170.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 41.94 31.02 0.2 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 128.152 2.581 . . . . 0.0 115.437 -174.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -57.72 145.85 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 O-C-N 121.267 -0.896 . . . . 0.0 110.772 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -58.57 130.6 85.09 Favored Pre-proline 0 CA--C 1.549 0.927 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -160.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.73 -37.45 56.35 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 122.572 2.182 . . . . 0.0 114.354 -164.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.97 -27.9 6.06 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.369 -1.457 . . . . 0.0 114.381 171.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.9 -34.97 77.01 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.147 -0.971 . . . . 0.0 112.06 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 103' ' ' PHE . . . . . 0.572 ' CE1' ' HB1' ' D' ' 138' ' ' ALA . 1.3 p90 -64.25 -41.19 97.06 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.791 1.632 . . . . 0.0 111.065 175.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -63.3 -47.1 83.68 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.973 0.509 . . . . 0.0 109.819 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 96.8 mt -56.03 -49.25 74.22 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.826 174.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -43.37 98.15 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.566 1.075 . . . . 0.0 110.74 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.67 -56.21 26.33 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 124.217 0.913 . . . . 0.0 113.986 176.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.91 -40.35 88.51 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.179 0.99 . . . . 0.0 111.036 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 13.7 t -59.89 -42.51 89.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 118.499 -0.762 . . . . 0.0 112.512 175.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 6.9 tp -57.16 -52.57 64.76 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 118.608 0.64 . . . . 0.0 110.637 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 111' ' ' VAL . . . . . 0.416 HG12 ' HB3' ' D' ' 130' ' ' TYR . 0.9 OUTLIER -55.33 -39.09 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 CA-C-N 118.575 0.625 . . . . 0.0 109.826 -177.611 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 10.6 t -73.05 -33.33 65.63 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 113' ' ' VAL . . . . . 0.609 HG11 ' HB2' ' D' ' 27' ' ' ALA . 1.6 p -61.67 -37.6 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 121.136 1.789 . . . . 0.0 111.719 171.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 mt -64.11 -35.75 81.77 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.922 -0.486 . . . . 0.0 110.076 177.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.19 -34.26 74.63 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 170.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -59.15 -60.31 4.06 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 120.413 1.461 . . . . 0.0 110.198 168.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -71.09 -26.22 62.95 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -167.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -130.55 40.57 3.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.468 1.107 . . . . 0.0 112.271 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -55.5 -5.21 0.74 Allowed Glycine 0 CA--C 1.541 1.659 0 C-N-CA 126.369 1.938 . . . . 0.0 117.41 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -85.28 -21.72 28.89 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.732 1.266 . . . . 0.0 113.117 170.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -135.64 6.13 3.2 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.792 1.637 . . . . 0.0 113.174 -170.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -61.62 29.99 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 128.974 2.91 . . . . 0.0 117.027 176.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 16.2 p -42.31 147.9 0.55 Allowed Pre-proline 0 N--CA 1.482 1.136 0 C-N-CA 125.836 1.654 . . . . 0.0 115.263 -167.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -43.62 -46.89 9.94 Favored 'Trans proline' 0 CA--C 1.547 1.162 0 C-N-CA 122.687 2.258 . . . . 0.0 114.64 171.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.45 -32.91 18.91 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 121.706 1.604 . . . . 0.0 114.745 173.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.33 -39.57 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 122.288 2.313 . . . . 0.0 112.093 177.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -63.4 -41.56 98.75 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.261 0.624 . . . . 0.0 110.815 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.56 -41.21 96.47 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 173.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . 0.489 ' HB2' ' HG2' ' D' ' 7' ' ' GLU . . . -59.36 -47.58 84.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 119.139 0.882 . . . . 0.0 111.959 172.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 130' ' ' TYR . . . . . 0.427 ' CE2' HG23 ' D' ' 11' ' ' VAL . 10.6 m-85 -52.19 -50.25 62.25 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 118.826 -0.607 . . . . 0.0 111.043 167.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -57.29 -37.93 73.19 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.4 1.0 . . . . 0.0 113.508 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -72.33 -44.03 63.24 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 120.473 1.488 . . . . 0.0 112.359 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 23.1 m -63.23 -38.54 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 CA-C-N 119.822 1.192 . . . . 0.0 111.051 172.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 22.5 t -61.08 -43.27 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.972 1.309 . . . . 0.0 111.955 172.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.99 -34.99 74.04 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.569 1.077 . . . . 0.0 112.407 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -61.89 -49.09 79.21 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 121.445 -0.785 . . . . 0.0 111.365 167.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 22.3 t -56.9 -46.17 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 123.732 0.813 . . . . 0.0 112.187 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 138' ' ' ALA . . . . . 0.572 ' HB1' ' CE1' ' D' ' 103' ' ' PHE . . . -51.55 -54.71 24.58 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.356 1.063 . . . . 0.0 112.007 173.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -58.78 -39.97 82.61 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 176.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.44 -50.42 67.62 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.703 0.683 . . . . 0.0 112.331 177.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.59 -42.36 99.52 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.181 0.9 . . . . 0.0 111.549 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.45 -11.78 36.89 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -62.75 -18.26 62.3 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 120.423 1.465 . . . . 0.0 114.275 -173.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -87.29 1.78 52.18 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.324 1.45 . . . . 0.0 113.863 171.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -136.16 -18.16 1.56 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.858 1.663 . . . . 0.0 114.744 -177.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 79.2 m80 . . . . . 0 C--O 1.257 1.489 0 C-N-CA 128.354 2.662 . . . . 0.0 114.079 179.071 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.512 2.647 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mp -147.81 176.07 10.42 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 126.551 1.941 . . . . 0.0 111.408 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.76 151.48 71.09 Favored Pre-proline 0 N--CA 1.478 0.973 0 CA-C-N 119.289 0.95 . . . . 0.0 112.132 175.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -51.3 -43.12 51.12 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.162 3.241 . . . . 0.0 114.868 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.38 93.83 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.832 0.453 . . . . 0.0 111.457 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -58.08 -45.38 87.26 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 122.987 0.515 . . . . 0.0 110.805 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -58.92 -51.57 69.47 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.76 0.824 . . . . 0.0 109.956 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.1 m -57.13 -47.18 81.76 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.103 0.865 . . . . 0.0 112.041 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -61.83 -43.34 99.05 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.101 0.56 . . . . 0.0 111.606 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 36.5 t -63.25 -47.41 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.53 1.132 . . . . 0.0 112.217 175.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.64 -44.37 96.46 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.568 1.077 . . . . 0.0 111.07 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -52.21 66.59 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.113 0.565 . . . . 0.0 111.222 174.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.31 -52.36 63.72 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.0 0.92 . . . . 0.0 112.133 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -62.94 -29.24 70.64 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.661 0.785 . . . . 0.0 113.065 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.58 -41.91 99.66 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.494 1.045 . . . . 0.0 113.323 169.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -33.13 67.77 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.502 1.151 . . . . 0.0 111.898 172.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.84 -49.2 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 123.604 0.761 . . . . 0.0 111.489 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.48 -139.63 9.01 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 123.854 0.74 . . . . 0.0 113.844 -177.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.41 -21.13 59.5 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 114.468 1.285 . . . . 0.0 114.468 177.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -67.27 -10.25 48.81 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.35 -47.06 37.33 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.452 1.101 . . . . 0.0 113.501 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.27 -36.2 92.91 Favored Glycine 0 C--N 1.341 0.855 0 CA-C-O 119.742 -0.476 . . . . 0.0 113.169 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -62.27 -50.59 71.11 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.93 0.892 . . . . 0.0 110.451 172.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -63.98 -37.43 87.39 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 122.988 0.515 . . . . 0.0 111.977 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.52 -50.52 58.79 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 124.016 0.817 . . . . 0.0 112.814 172.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.36 -48.23 77.25 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.592 1.196 . . . . 0.0 111.568 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -62.26 -37.89 87.19 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.881 0.873 . . . . 0.0 112.851 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.03 -39.93 87.12 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 119.31 0.959 . . . . 0.0 111.964 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.4 mt -64.02 -51.05 66.03 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.978 0.911 . . . . 0.0 110.909 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.07 -50.11 73.77 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.678 0.391 . . . . 0.0 110.709 175.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -50.98 -48.6 61.13 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 117.832 -1.08 . . . . 0.0 111.732 173.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -55.62 -40.23 71.85 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.289 0.949 . . . . 0.0 112.938 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -66.4 -32.42 73.79 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.181 1.355 . . . . 0.0 114.292 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.424 ' H ' ' HG ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -90.91 -35.24 14.85 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 177.365 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.0 p -76.7 -34.72 58.15 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.41 1.084 . . . . 0.0 112.39 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.14 66.3 59.61 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.585 1.554 . . . . 0.0 109.506 -175.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -45.6 -28.48 4.38 Favored 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 124.534 3.49 . . . . 0.0 115.557 -171.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -41.27 -36.25 0.76 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.238 1.415 . . . . 0.0 113.804 170.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.6 p -65.45 -26.99 68.2 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 119.89 -1.756 . . . . 0.0 114.929 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -28.28 69.55 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 120.343 1.429 . . . . 0.0 112.143 168.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -23.23 67.24 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.328 1.051 . . . . 0.0 112.993 176.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -68.53 -7.81 35.73 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 173.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 t80 63.42 58.31 2.0 Allowed Pre-proline 0 CA--C 1.56 1.339 0 C-N-CA 124.97 1.308 . . . . 0.0 113.744 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -56.66 169.52 1.72 Allowed 'Trans proline' 0 CA--C 1.546 1.078 0 C-N-CA 123.943 3.095 . . . . 0.0 115.125 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -128.54 6.42 5.7 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.575 1.695 . . . . 0.0 115.575 -173.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -81.26 23.02 0.62 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -172.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.93 -39.91 0.27 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 128.362 2.665 . . . . 0.0 115.69 -173.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.0 mt 56.68 18.93 3.96 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 127.44 2.296 . . . . 0.0 114.911 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.9 m -70.38 20.99 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 127.484 2.314 . . . . 0.0 115.938 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 61.81 141.56 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 128.027 2.531 . . . . 0.0 113.723 -162.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.9 32.91 67.01 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.34 0.972 . . . . 0.0 114.612 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 t -53.24 121.23 7.14 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.574 1.15 . . . . 0.0 113.432 -172.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.17 -21.02 65.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.975 0.91 . . . . 0.0 113.17 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -80.83 -41.57 23.03 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.674 -0.641 . . . . 0.0 110.593 174.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.7 t -62.52 -43.88 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 O-C-N 121.446 -0.784 . . . . 0.0 111.964 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -61.5 -40.85 96.1 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 119.818 1.19 . . . . 0.0 112.512 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.66 -53.23 32.68 Favored Glycine 0 N--CA 1.47 0.924 0 C-N-CA 124.377 0.989 . . . . 0.0 111.583 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -52.24 -46.55 65.78 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.592 0.757 . . . . 0.0 111.481 172.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.11 -46.01 62.53 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.221 0.915 . . . . 0.0 114.282 173.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -37.36 78.39 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 119.205 1.502 . . . . 0.0 112.731 172.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -72.88 -42.92 63.12 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.603 0.761 . . . . 0.0 110.835 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.3 t -54.59 -47.09 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 119.346 0.976 . . . . 0.0 110.716 168.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.03 83.6 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -62.21 -38.31 88.64 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.967 0.803 . . . . 0.0 112.136 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.68 -38.36 87.5 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 170.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.76 -46.36 88.38 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.595 0.758 . . . . 0.0 111.303 170.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.8 m -57.28 -43.99 83.62 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.713 1.142 . . . . 0.0 112.011 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -60.17 -43.88 95.49 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.44 1.096 . . . . 0.0 111.397 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.81 -42.52 97.82 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 118.318 -0.849 . . . . 0.0 112.167 172.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.9 t -62.97 -46.6 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 119.994 1.27 . . . . 0.0 111.397 174.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.02 -28.07 69.32 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.304 1.441 . . . . 0.0 113.65 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -129.68 36.23 4.1 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 125.507 1.523 . . . . 0.0 111.689 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.5 p -66.64 -11.9 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 120.103 -1.623 . . . . 0.0 114.686 -171.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -88.5 -10.2 49.8 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 120.438 -1.414 . . . . 0.0 114.098 168.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -140.42 2.36 1.84 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.072 1.749 . . . . 0.0 114.191 -165.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . 0.328 0.0 OUTLIER -63.92 -17.29 0.4 Allowed Pre-proline 0 CA--C 1.545 0.777 0 CA-C-O 114.609 -2.615 . . . . 0.0 117.848 -177.664 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.482 ' HA ' HG13 ' A' ' 135' ' ' VAL . 4.4 Cg_exo -38.05 -29.44 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 124.995 3.797 . . . . 0.0 118.482 171.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -115.37 -16.12 11.48 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.01 -17.74 63.96 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 120.555 -1.341 . . . . 0.0 114.388 177.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.6 mt -100.28 10.21 41.56 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.937 0.895 . . . . 0.0 112.573 171.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.9 t -55.62 -41.51 73.6 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.394 1.078 . . . . 0.0 113.083 -178.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.3 -27.17 67.08 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.034 -1.041 . . . . 0.0 113.481 173.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mt -82.63 -38.84 22.96 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.865 0.866 . . . . 0.0 111.033 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.0 t -55.01 -44.93 75.02 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 119.301 -0.381 . . . . 0.0 110.811 162.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -61.14 -50.33 73.64 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.849 0.86 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.71 -38.07 80.62 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.326 -0.859 . . . . 0.0 112.023 175.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -68.05 -65.64 0.67 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.458 0.572 . . . . 0.0 109.987 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.77 -51.37 56.83 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.386 1.474 . . . . 0.0 113.033 -174.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -73.44 -3.83 29.9 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -174.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -139.63 -44.48 0.44 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -172.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.76 -41.84 0.28 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 -167.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 48.09 37.74 8.48 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.701 1.6 . . . . 0.0 114.284 165.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.4 t -56.08 139.68 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.675 1.19 . . . . 0.0 110.271 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.61 132.94 93.24 Favored Pre-proline 0 CA--C 1.544 0.712 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -173.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -39.6 -31.24 0.38 Allowed 'Trans proline' 0 C--N 1.353 0.784 1 C-N-CA 126.324 4.683 . . . . 0.0 117.765 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.0 t -44.1 -34.58 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 121.703 2.047 . . . . 0.0 112.734 171.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -56.89 -36.93 70.7 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 174.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 133' ' ' SER . 0.0 OUTLIER -54.69 -44.53 73.47 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 171.688 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -61.35 -36.76 81.09 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.444 0.698 . . . . 0.0 110.492 -170.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 mt -65.15 -55.37 19.05 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.388 1.475 . . . . 0.0 109.775 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -37.66 77.42 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.782 0.833 . . . . 0.0 111.366 177.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.3 m -73.49 -36.96 65.87 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.898 1.279 . . . . 0.0 114.227 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -56.4 -46.73 80.01 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.147 0.885 . . . . 0.0 110.548 162.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 74.3 m -62.91 -38.59 91.56 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.709 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.0 mt -57.5 -55.87 29.28 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 124.401 1.08 . . . . 0.0 110.349 168.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.3 mt -52.2 -38.56 58.27 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.851 1.205 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.2 t -58.93 -56.42 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.138 0.975 . . . . 0.0 112.348 169.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -36.18 81.43 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.433 1.015 . . . . 0.0 111.995 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.6 mt -59.52 -59.58 5.22 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 123.92 0.888 . . . . 0.0 108.614 172.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.09 -27.19 19.17 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.882 1.219 . . . . 0.0 114.276 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.15 -29.1 31.78 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 176.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -131.8 -18.28 2.74 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -166.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 tt -105.14 128.47 26.58 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 128.408 2.683 . . . . 0.0 106.655 173.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -69.83 74.44 1.32 Allowed 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 122.996 2.464 . . . . 0.0 110.681 170.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.36 -15.72 63.84 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.287 1.035 . . . . 0.0 112.545 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 56.94 9.62 0.65 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.932 1.693 . . . . 0.0 113.344 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 8.9 p90 44.0 24.53 0.08 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 128.666 2.786 . . . . 0.0 115.048 177.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.57 160.21 77.76 Favored Pre-proline 0 N--CA 1.468 0.465 0 C-N-CA 125.068 1.347 . . . . 0.0 111.088 -175.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -59.51 -44.81 29.77 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 121.843 1.695 . . . . 0.0 112.346 168.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.9 -49.03 76.8 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 117.98 0.354 . . . . 0.0 111.062 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.9 t -75.04 -50.68 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 120.661 -1.275 . . . . 0.0 112.31 -177.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -65.92 -41.2 91.68 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 120.625 -1.297 . . . . 0.0 111.557 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.56 -57.6 9.62 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.05 173.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 91.4 p -55.5 -43.48 75.7 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 117.155 -1.402 . . . . 0.0 112.714 -175.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.74 -49.28 66.48 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 120.574 1.534 . . . . 0.0 111.132 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -59.25 -50.57 73.51 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.555 1.07 . . . . 0.0 112.204 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -28.76 64.67 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -63.07 -49.04 76.08 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 119.73 1.15 . . . . 0.0 110.422 169.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.45 -33.38 75.44 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.194 0.906 . . . . 0.0 111.092 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.18 -39.54 86.82 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 119.632 1.106 . . . . 0.0 113.112 167.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.3 t -66.56 -45.28 79.87 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.727 -1.233 . . . . 0.0 112.655 173.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 64.0 t -54.08 -45.85 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.021 0.928 . . . . 0.0 109.899 171.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.432 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . 32.1 t -60.29 -54.6 43.84 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.667 1.187 . . . . 0.0 113.632 174.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 21.2 m -50.54 -42.27 55.0 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.531 1.06 . . . . 0.0 110.547 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.482 HG13 ' HA ' ' A' ' 77' ' ' PRO . 70.7 t -68.88 -47.14 77.56 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 118.316 -0.85 . . . . 0.0 112.801 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -29.19 65.48 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.627 1.558 . . . . 0.0 112.925 174.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 89.2 m -76.56 -15.21 59.91 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 128.042 2.537 . . . . 0.0 113.034 175.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.47 0.562 0 C-N-CA 125.273 1.429 . . . . 0.0 112.748 -173.068 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.32 3.5 p . . . . . 0 N--CA 1.516 2.864 0 CA-C-O 116.928 -1.511 . . . . 0.0 112.787 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 22.27 73.47 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 127.831 2.453 . . . . 0.0 115.227 -176.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.29 163.31 13.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.932 0.493 . . . . 0.0 111.731 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.56 152.03 90.48 Favored Pre-proline 0 N--CA 1.48 1.041 0 CA-C-O 118.504 -0.76 . . . . 0.0 109.581 166.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -53.51 -38.41 83.38 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.881 2.387 . . . . 0.0 114.658 173.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -71.79 -43.22 66.05 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.534 -0.729 . . . . 0.0 112.216 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.51 -42.87 95.54 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.679 -0.638 . . . . 0.0 111.364 175.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.09 -52.86 59.63 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.792 1.237 . . . . 0.0 110.827 170.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -54.19 -45.91 72.26 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 118.722 0.692 . . . . 0.0 111.353 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.04 -52.77 64.14 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.56 HG23 ' CE1' ' B' ' 130' ' ' TYR . 4.0 p -65.12 -50.16 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-N 119.76 1.164 . . . . 0.0 112.467 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -70.68 -36.07 73.14 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.167 0.894 . . . . 0.0 112.171 -172.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.26 -37.7 88.43 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.503 1.047 . . . . 0.0 111.989 172.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.92 -39.4 87.35 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.44 -0.788 . . . . 0.0 111.202 172.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -25.8 61.34 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 164.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.82 -38.89 85.83 Favored Glycine 0 CA--C 1.535 1.284 0 CA-C-N 118.847 0.749 . . . . 0.0 113.239 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -89.49 -19.4 25.12 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -53.6 133.73 16.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 124.34 1.056 . . . . 0.0 113.139 -169.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -87.19 85.03 7.17 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.937 0.895 . . . . 0.0 108.851 174.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.4 t -52.26 -35.56 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 124.305 1.042 . . . . 0.0 113.485 -169.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -44.09 86.41 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.944 1.297 . . . . 0.0 113.046 174.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -95.51 -38.39 10.46 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.658 -0.651 . . . . 0.0 111.444 -167.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -34.98 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 O-C-N 121.382 -0.824 . . . . 0.0 110.613 165.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.29 -46.81 67.79 Favored Glycine 0 N--CA 1.468 0.797 0 CA-C-O 119.478 -0.623 . . . . 0.0 111.61 174.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.32 -42.83 95.75 Favored Glycine 0 N--CA 1.47 0.931 0 CA-C-N 118.044 0.922 . . . . 0.0 113.746 170.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -64.5 -38.27 90.42 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 123.533 0.733 . . . . 0.0 112.195 173.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.95 -51.49 39.12 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 119.605 1.093 . . . . 0.0 111.801 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.449 HD21 ' CD2' ' B' ' 63' ' ' HIS . 1.0 OUTLIER -75.77 -22.44 56.43 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.37 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.576 ' O ' HG13 ' B' ' 33' ' ' VAL . . . -68.93 -58.93 6.32 Favored Glycine 0 N--CA 1.464 0.541 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 164.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.527 ' HA ' HG22 ' B' ' 33' ' ' VAL . 39.6 mtt180 -53.87 -33.98 58.03 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.65 -1.5 . . . . 0.0 112.623 176.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.457 ' HA ' HG21 ' B' ' 109' ' ' VAL . 58.9 tp -49.85 -39.77 40.19 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.504 1.122 . . . . 0.0 113.184 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.04 -11.19 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 118.624 -0.703 . . . . 0.0 112.217 -168.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.576 HG13 ' O ' ' B' ' 29' ' ' GLY . 15.2 m -62.34 -24.86 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 119.598 1.09 . . . . 0.0 111.8 166.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -58.68 1.53 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 173.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.69 38.19 0.45 Allowed Pre-proline 0 CA--C 1.557 1.22 0 C-N-CA 126.533 1.933 . . . . 0.0 114.397 -168.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -77.51 178.92 7.03 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 122.809 2.339 . . . . 0.0 110.733 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 13.9 p90 -50.09 -31.74 14.03 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 120.918 -1.114 . . . . 0.0 113.063 167.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.27 -25.12 61.41 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.855 1.262 . . . . 0.0 113.956 174.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -27.1 59.94 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.221 0.919 . . . . 0.0 111.153 173.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 ptt-85 -48.9 -38.91 24.06 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.925 1.239 . . . . 0.0 113.894 174.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.04 0.33 45.38 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.603 1.161 . . . . 0.0 112.087 -174.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.57 -35.2 40.16 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.528 -1.358 . . . . 0.0 114.513 177.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -59.92 -16.42 29.49 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 18.1 t -85.0 -23.44 28.67 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.756 ' HB2' HD11 ' B' ' 48' ' ' LEU . 12.0 m-85 -96.15 -2.59 46.11 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.893 -1.129 . . . . 0.0 113.344 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.1 31.51 75.06 Favored Glycine 0 N--CA 1.478 1.459 0 N-CA-C 116.321 1.288 . . . . 0.0 116.321 162.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.556 ' C ' HD12 ' B' ' 48' ' ' LEU . 0.5 OUTLIER -165.76 -129.6 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.85 1.66 . . . . 0.0 108.715 -172.797 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' B' ' 45' ' ' PHE . 0.2 OUTLIER 63.3 -8.06 0.15 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 127.855 2.462 . . . . 0.0 116.71 168.407 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 41.8 m -57.0 -18.41 13.57 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.302 1.841 . . . . 0.0 114.401 172.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.4 p -141.16 162.69 46.57 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 125.748 1.619 . . . . 0.0 110.78 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -55.48 -54.65 3.94 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.825 2.35 . . . . 0.0 112.082 172.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -61.74 -39.29 91.06 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.011 0.925 . . . . 0.0 111.853 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.07 -46.81 78.84 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 123.22 0.608 . . . . 0.0 110.913 173.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.467 HG11 ' CG1' ' B' ' 33' ' ' VAL . 0.3 OUTLIER -70.93 -46.56 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 119.964 1.256 . . . . 0.0 113.35 -178.644 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 1.7 mtt -70.43 -23.3 62.7 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.801 0.728 . . . . 0.0 112.037 -173.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.58 -11.0 49.01 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.884 1.231 . . . . 0.0 115.268 174.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -61.6 120.16 53.65 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-N 119.882 1.841 . . . . 0.0 111.658 -176.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -63.72 -24.76 68.84 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.91 2.407 . . . . 0.0 113.488 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -76.11 -47.27 25.06 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.029 1.286 . . . . 0.0 112.885 -178.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -66.4 -34.1 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 CA-C-N 119.264 0.938 . . . . 0.0 112.444 170.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -57.86 -57.51 12.47 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.465 1.03 . . . . 0.0 111.419 167.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.75 -50.84 69.31 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.414 1.486 . . . . 0.0 112.905 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' HIS . . . . . 0.449 ' CD2' HD21 ' B' ' 28' ' ' LEU . 0.9 OUTLIER -64.63 -33.98 77.2 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.53 -0.732 . . . . 0.0 111.674 174.786 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.79 -40.48 64.38 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 125.386 1.469 . . . . 0.0 112.815 168.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.28 -41.02 98.96 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.766 -0.844 . . . . 0.0 111.777 173.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -63.7 -52.41 60.69 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.443 0.697 . . . . 0.0 111.105 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 30.7 m -59.48 -46.93 92.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 122.591 0.356 . . . . 0.0 111.029 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.38 -38.26 68.53 Favored 'General case' 0 C--O 1.224 -0.275 0 O-C-N 121.26 -0.9 . . . . 0.0 111.768 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.07 -42.6 55.02 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.009 0.814 . . . . 0.0 111.64 172.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.97 -47.27 81.05 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 170.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.449 ' CE2' HD23 ' B' ' 110' ' ' LEU . 2.3 m-30 -55.46 -37.07 67.28 Favored 'General case' 0 CA--C 1.554 1.098 0 O-C-N 120.195 -1.566 . . . . 0.0 111.655 175.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.1 t -67.72 -42.89 81.24 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.335 1.454 . . . . 0.0 113.254 172.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -56.15 -31.58 63.48 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.01 0.823 . . . . 0.0 111.886 167.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.25 -61.97 6.35 Favored Glycine 0 C--N 1.337 0.637 0 C-N-CA 124.482 1.039 . . . . 0.0 110.986 169.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 mt -54.13 -27.81 35.76 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.88 -27.35 54.99 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 172.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -143.03 54.8 1.37 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.221 1.808 . . . . 0.0 112.477 -171.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.06 -11.49 59.09 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.809 -1.182 . . . . 0.0 113.813 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -59.29 -38.47 80.28 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.895 1.278 . . . . 0.0 113.661 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -153.91 107.47 2.96 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.537 1.535 . . . . 0.0 110.374 175.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.3 mt -83.01 -21.76 33.79 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 173.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -69.31 -7.59 38.46 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.575 -1.328 . . . . 0.0 113.888 -174.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -115.71 -46.42 0.56 Allowed Glycine 0 CA--C 1.536 1.367 0 C-N-CA 125.779 1.657 . . . . 0.0 113.577 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.2 p -60.67 -26.75 67.32 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 118.669 1.235 . . . . 0.0 113.386 173.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -108.55 -1.98 19.25 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 118.012 -0.994 . . . . 0.0 113.362 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.74 -38.8 67.58 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 120.637 1.562 . . . . 0.0 114.239 -174.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 6.5 p -64.38 -35.48 81.03 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.426 1.09 . . . . 0.0 112.666 172.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 45.3 mt -73.03 -39.63 65.8 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.821 0.848 . . . . 0.0 111.046 173.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.5 m -56.26 -47.86 77.71 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.827 -1.171 . . . . 0.0 111.077 171.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -62.41 -43.92 97.68 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.978 1.311 . . . . 0.0 112.83 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 44.6 tp -58.8 -53.06 62.6 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.29 -0.881 . . . . 0.0 111.84 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -77.12 6.06 7.16 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 18.8 p -119.63 -76.49 0.58 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.724 0.693 . . . . 0.0 110.988 161.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.38 -22.78 65.28 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 115.211 1.559 . . . . 0.0 115.211 -167.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.26 -28.6 11.79 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.159 0.984 . . . . 0.0 113.126 173.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 52.5 mt -142.11 38.05 1.58 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.703 1.201 . . . . 0.0 113.438 -163.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -6.07 -60.45 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 118.816 2.895 . . . . 0.0 118.816 -167.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 2.7 p 24.41 98.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 129.204 3.002 . . . . 0.0 116.089 173.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -9.48 110.41 0.04 OUTLIER Pre-proline 0 CA--C 1.553 1.088 0 C-N-CA 125.465 1.506 . . . . 0.0 114.861 155.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -53.2 -24.5 26.54 Favored 'Trans proline' 0 CA--C 1.547 1.147 0 C-N-CA 122.231 1.954 . . . . 0.0 114.494 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -46.29 -36.09 5.92 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 119.445 -2.034 . . . . 0.0 114.296 166.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -68.24 -27.45 66.36 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 117.549 -1.215 . . . . 0.0 114.214 174.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . 0.681 ' CE1' ' HB1' ' B' ' 138' ' ' ALA . 0.3 OUTLIER -60.4 -40.85 92.43 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 121.069 1.759 . . . . 0.0 109.355 166.11 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' ARG . . . . . 0.401 ' N ' ' CD1' ' B' ' 103' ' ' PHE . 31.0 ttp85 -71.77 -42.68 66.87 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.876 -0.515 . . . . 0.0 110.509 -168.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 mp -54.67 -46.3 74.04 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.606 166.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.28 -44.43 79.78 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.86 1.209 . . . . 0.0 112.028 176.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.64 -60.67 8.49 Favored Glycine 0 CA--C 1.523 0.59 0 C-N-CA 123.002 0.334 . . . . 0.0 113.371 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -56.21 -34.94 66.75 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.741 0.817 . . . . 0.0 112.484 178.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.457 HG21 ' HA ' ' B' ' 31' ' ' LEU . 43.0 t -71.09 -46.71 65.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 121.05 -1.031 . . . . 0.0 111.613 176.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.449 HD23 ' CE2' ' B' ' 71' ' ' PHE . 51.1 tp -58.22 -41.39 83.95 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.816 1.189 . . . . 0.0 111.439 -178.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 m -65.14 -30.55 50.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 121.21 -0.931 . . . . 0.0 111.659 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 29.6 t -71.95 -39.4 69.4 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.146 -0.971 . . . . 0.0 113.339 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -41.99 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 120.381 -1.449 . . . . 0.0 111.834 171.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.8 -39.7 89.89 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.288 0.495 . . . . 0.0 110.728 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.38 -28.94 63.64 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 169.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -79.15 -56.24 4.51 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 120.623 1.556 . . . . 0.0 112.849 171.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.09 -24.92 66.79 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -170.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -134.36 27.67 3.75 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.34 1.456 . . . . 0.0 112.503 -176.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -51.09 -39.88 42.59 Favored Glycine 0 N--CA 1.475 1.253 0 N-CA-C 116.806 1.482 . . . . 0.0 116.806 -168.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -67.52 -13.96 62.52 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -114.87 1.14 13.98 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.984 2.113 . . . . 0.0 111.313 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -94.21 68.04 3.62 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.083 1.353 . . . . 0.0 112.08 -174.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 30.8 p -57.73 156.69 16.99 Favored Pre-proline 0 N--CA 1.474 0.761 0 C-N-CA 124.364 1.065 . . . . 0.0 112.332 -175.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -46.46 -52.64 7.07 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 121.728 1.619 . . . . 0.0 113.226 168.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -64.35 -28.83 63.25 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 CA-C-O 116.673 -1.47 . . . . 0.0 114.231 177.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.5 -42.45 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 122.116 2.234 . . . . 0.0 110.977 174.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.16 -50.0 75.41 Favored 'General case' 0 N--CA 1.461 0.09 0 O-C-N 121.697 -0.627 . . . . 0.0 110.48 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.62 -23.33 66.79 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.65 -49.45 47.31 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.56 ' CE1' HG23 ' B' ' 11' ' ' VAL . 61.3 m-85 -53.81 -48.71 69.61 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.24 166.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -56.34 -36.99 69.37 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.716 1.144 . . . . 0.0 112.371 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -71.88 -43.32 65.62 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.967 1.258 . . . . 0.0 114.345 173.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.56 -45.76 90.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 CA-C-N 120.868 1.667 . . . . 0.0 109.96 173.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 50.2 t -78.65 -29.19 14.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 CA-C-O 117.51 -1.233 . . . . 0.0 112.192 -171.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.82 -36.22 83.64 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 121.121 1.782 . . . . 0.0 112.166 166.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -65.71 -49.44 59.55 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 121.04 -1.038 . . . . 0.0 112.358 168.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -44.23 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.331 1.053 . . . . 0.0 111.572 179.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 138' ' ' ALA . . . . . 0.681 ' HB1' ' CE1' ' B' ' 103' ' ' PHE . . . -51.44 -58.6 5.83 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 127.066 2.146 . . . . 0.0 112.091 170.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -57.55 -36.52 71.74 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.225 0.61 . . . . 0.0 112.119 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.36 75.12 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.724 -0.655 . . . . 0.0 112.572 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.78 -38.42 90.94 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 120.952 1.706 . . . . 0.0 111.848 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.91 -11.87 42.76 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.423 1.489 . . . . 0.0 113.896 171.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -57.03 -30.08 63.92 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 120.539 1.518 . . . . 0.0 113.609 -176.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -87.29 5.22 39.48 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 175.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.065 0 C-N-CA 126.395 1.878 . . . . 0.0 113.386 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.51 2.568 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mp -147.82 175.98 10.5 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 126.654 1.982 . . . . 0.0 111.363 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.64 151.57 71.53 Favored Pre-proline 0 N--CA 1.481 1.082 0 CA-C-N 119.11 0.868 . . . . 0.0 112.123 175.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.37 -42.98 52.28 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 124.046 3.164 . . . . 0.0 114.985 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.37 94.11 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.76 0.424 . . . . 0.0 111.443 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -58.01 -45.46 86.85 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 122.943 0.497 . . . . 0.0 110.807 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -58.99 -51.46 69.99 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.64 0.776 . . . . 0.0 109.888 176.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 58.5 m -57.29 -47.12 82.31 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.15 0.886 . . . . 0.0 112.004 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -61.82 -43.45 98.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.067 0.547 . . . . 0.0 111.539 177.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 37.1 t -63.13 -47.34 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 124.499 1.12 . . . . 0.0 112.283 175.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.79 -44.16 97.17 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.597 1.089 . . . . 0.0 111.142 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.4 -52.42 65.68 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.265 0.626 . . . . 0.0 111.203 174.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.24 -52.37 63.62 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.043 0.937 . . . . 0.0 112.138 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -63.07 -29.11 70.56 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.646 0.779 . . . . 0.0 113.02 177.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.74 -41.83 99.66 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.447 1.022 . . . . 0.0 113.245 169.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.99 -33.11 67.85 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 118.614 1.207 . . . . 0.0 111.805 172.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 97.7 t -60.99 -49.1 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.707 0.803 . . . . 0.0 111.515 174.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.54 -139.68 9.11 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 123.686 0.66 . . . . 0.0 113.869 -177.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.31 -21.35 59.59 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 177.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -67.05 -10.52 50.73 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.35 -47.0 37.4 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.297 1.039 . . . . 0.0 113.586 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.29 -36.05 92.73 Favored Glycine 0 N--CA 1.47 0.922 0 CA-C-O 119.81 -0.439 . . . . 0.0 113.177 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -62.49 -50.48 71.26 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.013 0.925 . . . . 0.0 110.347 172.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -64.16 -37.26 86.83 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 121.867 -0.521 . . . . 0.0 111.976 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.69 -50.43 58.81 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 123.987 0.804 . . . . 0.0 112.779 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.32 -48.08 77.44 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.613 1.206 . . . . 0.0 111.695 175.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -62.57 -37.73 87.31 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 123.843 0.857 . . . . 0.0 112.793 175.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.94 -40.12 87.48 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 119.432 1.015 . . . . 0.0 111.919 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 60.1 mt -64.0 -50.92 66.61 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.015 0.926 . . . . 0.0 110.883 175.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -50.15 73.61 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.861 0.464 . . . . 0.0 110.786 175.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -51.04 -48.61 61.46 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 117.837 -1.078 . . . . 0.0 111.735 173.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -55.75 -40.13 72.13 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.204 0.911 . . . . 0.0 112.901 177.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -66.38 -32.27 73.56 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 120.176 1.353 . . . . 0.0 114.324 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.443 ' H ' ' HG ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -91.1 -35.24 14.71 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 177.37 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 67.8 p -76.74 -34.72 58.08 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.455 1.102 . . . . 0.0 112.364 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.08 66.43 59.49 Favored Pre-proline 0 CA--C 1.54 0.593 0 C-N-CA 125.668 1.587 . . . . 0.0 109.513 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -45.66 -28.52 4.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 124.523 3.482 . . . . 0.0 115.669 -172.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -41.0 -36.35 0.65 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.242 1.417 . . . . 0.0 113.872 170.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 23.9 p -65.69 -26.89 67.98 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.022 -1.674 . . . . 0.0 114.739 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -28.14 69.49 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 120.389 1.45 . . . . 0.0 112.151 168.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -23.17 67.21 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.317 1.047 . . . . 0.0 112.976 176.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -68.51 -7.79 35.46 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 173.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 t80 63.29 58.43 2.05 Favored Pre-proline 0 CA--C 1.558 1.259 0 C-N-CA 124.998 1.319 . . . . 0.0 113.741 -177.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -56.73 169.58 1.73 Allowed 'Trans proline' 0 CA--C 1.546 1.092 0 C-N-CA 123.985 3.123 . . . . 0.0 115.117 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.41 6.26 5.77 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -173.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -81.35 23.12 0.63 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 -172.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.07 -40.09 0.28 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 128.333 2.653 . . . . 0.0 115.709 -173.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 31.6 mt 56.74 18.97 4.04 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.471 2.308 . . . . 0.0 114.832 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 17.0 m -70.29 20.9 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.365 2.266 . . . . 0.0 115.929 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 61.72 141.59 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 128.047 2.539 . . . . 0.0 113.819 -162.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.82 32.75 66.44 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 124.373 0.987 . . . . 0.0 114.677 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 14.0 t -53.22 121.07 6.8 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.511 1.124 . . . . 0.0 113.396 -173.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.75 -22.55 66.65 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.907 0.883 . . . . 0.0 113.076 172.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -79.3 -41.33 28.3 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.598 -0.688 . . . . 0.0 110.6 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 72.4 t -62.75 -43.91 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 121.383 -0.823 . . . . 0.0 111.944 173.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -61.74 -40.85 96.55 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 119.784 1.175 . . . . 0.0 112.273 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.49 -53.24 33.29 Favored Glycine 0 N--CA 1.47 0.944 0 C-N-CA 124.327 0.965 . . . . 0.0 111.563 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -52.37 -46.55 66.22 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.694 0.797 . . . . 0.0 111.426 172.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.99 -46.16 61.34 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.364 0.983 . . . . 0.0 114.292 173.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -37.26 78.13 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 119.184 1.492 . . . . 0.0 112.753 172.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -72.89 -43.03 62.98 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.633 0.773 . . . . 0.0 110.765 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 88.5 t -54.37 -47.28 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.42 1.009 . . . . 0.0 110.73 169.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.06 83.45 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.17 -38.26 88.37 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.014 0.825 . . . . 0.0 112.197 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.63 -38.44 87.66 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.686 -0.634 . . . . 0.0 112.606 170.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -46.3 88.59 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.585 0.754 . . . . 0.0 111.265 170.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 36.1 m -57.29 -44.02 83.69 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.781 1.173 . . . . 0.0 112.104 172.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -60.08 -44.0 95.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.442 1.097 . . . . 0.0 111.324 174.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.43 97.39 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 118.351 -0.833 . . . . 0.0 112.302 172.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.04 -46.52 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 119.969 1.258 . . . . 0.0 111.506 174.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.93 -28.23 69.38 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.366 1.466 . . . . 0.0 113.655 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -129.58 36.3 4.11 Favored 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 125.417 1.487 . . . . 0.0 111.733 -176.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 1.6 p -66.64 -11.96 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 119.985 -1.697 . . . . 0.0 114.732 -171.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -88.65 -9.96 50.27 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 120.407 -1.433 . . . . 0.0 114.088 168.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -140.44 2.28 1.83 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.154 1.782 . . . . 0.0 114.289 -165.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 76' ' ' MET . . . . . . . . . . . . 0.324 0.0 OUTLIER -63.98 -17.15 0.39 Allowed Pre-proline 0 CA--C 1.543 0.708 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 -177.681 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . 0.485 ' HA ' HG13 ' C' ' 135' ' ' VAL . 4.0 Cg_exo -38.18 -29.08 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.232 0 C-N-CA 124.96 3.773 . . . . 0.0 118.545 171.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -115.71 -15.93 11.3 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 171.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.94 -17.88 64.01 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.67 -1.269 . . . . 0.0 114.371 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 31.0 mt -100.22 10.21 41.59 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.807 0.843 . . . . 0.0 112.589 171.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 40.3 t -55.62 -41.42 73.46 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.302 1.041 . . . . 0.0 113.184 -178.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.28 -27.19 67.08 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.042 -1.036 . . . . 0.0 113.46 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.7 mt -82.64 -38.76 23.05 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.732 0.813 . . . . 0.0 111.031 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 18.7 t -55.1 -44.95 75.39 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 119.369 -0.348 . . . . 0.0 110.849 162.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -60.99 -50.44 73.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.907 0.883 . . . . 0.0 112.463 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.61 -38.24 80.77 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.312 -0.867 . . . . 0.0 111.993 175.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -67.8 -65.8 0.65 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.585 0.629 . . . . 0.0 109.96 176.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.86 -51.39 57.08 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.394 1.478 . . . . 0.0 112.934 -174.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -73.44 -3.87 30.1 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -174.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -139.52 -44.39 0.45 Allowed 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -172.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.83 -41.97 0.28 Allowed 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 -167.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 48.23 37.71 8.81 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.687 1.595 . . . . 0.0 114.271 165.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 72.1 t -56.05 139.74 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.644 1.177 . . . . 0.0 110.192 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.6 132.83 93.2 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -174.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -39.61 -31.14 0.38 Allowed 'Trans proline' 0 C--N 1.353 0.805 1 C-N-CA 126.257 4.638 . . . . 0.0 117.83 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 53.2 t -44.06 -34.58 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 CA-C-N 121.607 2.003 . . . . 0.0 112.791 171.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -56.94 -36.93 70.81 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' C' ' 133' ' ' SER . 0.0 OUTLIER -54.76 -44.49 73.68 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 171.713 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -61.27 -36.79 80.99 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.362 0.665 . . . . 0.0 110.606 -171.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.11 -55.28 19.67 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.383 1.473 . . . . 0.0 109.864 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -37.62 77.63 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.77 0.828 . . . . 0.0 111.378 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 26.6 m -73.37 -37.08 66.16 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.008 1.323 . . . . 0.0 114.222 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -56.41 -46.83 80.01 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 119.091 0.86 . . . . 0.0 110.48 162.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 74.1 m -62.91 -38.64 91.77 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.193 -0.908 . . . . 0.0 112.583 178.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 22.8 mt -57.52 -55.78 30.39 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 124.365 1.066 . . . . 0.0 110.375 168.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 34.4 mt -52.13 -38.63 58.1 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.796 1.18 . . . . 0.0 112.37 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 8.0 t -58.86 -56.51 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 124.237 1.015 . . . . 0.0 112.333 169.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -36.19 81.38 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.417 1.008 . . . . 0.0 111.922 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 6.6 mt -59.5 -59.68 5.06 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 124.112 0.965 . . . . 0.0 108.573 172.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.23 -27.14 20.61 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.798 1.181 . . . . 0.0 114.173 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.96 -29.31 32.24 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -131.7 -18.22 2.78 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -166.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 2.0 tt -105.16 128.47 26.59 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 128.334 2.654 . . . . 0.0 106.672 173.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -69.73 74.26 1.29 Allowed 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.025 2.483 . . . . 0.0 110.828 169.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.12 -15.92 64.01 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.308 1.043 . . . . 0.0 112.554 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 57.09 9.65 0.69 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.963 1.705 . . . . 0.0 113.245 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 8.8 p90 43.79 24.62 0.07 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 128.68 2.792 . . . . 0.0 114.99 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.51 160.34 76.86 Favored Pre-proline 0 N--CA 1.47 0.54 0 C-N-CA 125.048 1.339 . . . . 0.0 111.13 -175.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -59.65 -44.83 28.92 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.732 1.621 . . . . 0.0 112.383 168.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.07 76.67 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 117.961 0.346 . . . . 0.0 110.982 176.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 39.7 t -75.0 -50.68 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 120.624 -1.297 . . . . 0.0 112.444 -177.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -65.81 -41.28 92.05 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 120.668 -1.27 . . . . 0.0 111.454 -176.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.62 -57.74 9.12 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.021 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 92.1 p -55.33 -43.58 75.07 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 117.158 -1.401 . . . . 0.0 112.712 -175.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.5 -49.53 66.26 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 120.658 1.572 . . . . 0.0 111.084 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -59.23 -50.35 74.36 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.43 1.014 . . . . 0.0 112.351 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -28.68 64.42 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 178.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -63.05 -49.17 75.62 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.709 1.14 . . . . 0.0 110.311 169.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.48 -33.35 75.38 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.175 0.898 . . . . 0.0 111.084 177.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.56 86.54 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.638 1.108 . . . . 0.0 113.151 167.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 7.4 t -66.61 -45.26 79.7 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.671 -1.268 . . . . 0.0 112.596 173.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 62.6 t -53.94 -46.0 64.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.041 0.936 . . . . 0.0 109.956 171.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 133' ' ' SER . . . . . 0.432 ' HB2' ' CD1' ' C' ' 98' ' ' PHE . 33.4 t -60.07 -54.75 42.33 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 124.731 1.212 . . . . 0.0 113.69 174.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 21.5 m -50.45 -42.34 54.06 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.444 1.02 . . . . 0.0 110.681 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 135' ' ' VAL . . . . . 0.485 HG13 ' HA ' ' C' ' 77' ' ' PRO . 71.6 t -68.77 -47.24 77.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 118.434 -0.793 . . . . 0.0 112.871 175.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -29.06 65.18 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 120.644 1.566 . . . . 0.0 113.081 174.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 89.2 m -76.73 -15.12 59.86 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 127.993 2.517 . . . . 0.0 113.077 175.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 22.5 m . . . . . 0 N--CA 1.47 0.528 0 C-N-CA 125.251 1.42 . . . . 0.0 112.77 -173.026 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.319 3.5 p . . . . . 0 N--CA 1.514 2.752 0 CA-C-O 116.925 -1.512 . . . . 0.0 112.872 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 22.1 73.39 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 127.695 2.398 . . . . 0.0 115.326 -176.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.07 163.34 12.57 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.694 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.64 151.95 90.96 Favored Pre-proline 0 N--CA 1.481 1.08 0 CA-C-O 118.635 -0.698 . . . . 0.0 109.514 166.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -53.59 -38.22 83.8 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.81 2.34 . . . . 0.0 114.686 173.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -71.68 -43.46 65.94 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.447 -0.783 . . . . 0.0 112.224 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -64.39 -42.92 95.86 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.7 -0.625 . . . . 0.0 111.419 175.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.17 -52.74 60.23 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.685 1.194 . . . . 0.0 110.868 170.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -54.16 -45.94 72.19 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.647 0.658 . . . . 0.0 111.347 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.92 -52.88 63.65 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 11' ' ' VAL . . . . . 0.564 HG23 ' CE1' ' D' ' 130' ' ' TYR . 3.8 p -65.09 -50.26 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 119.785 1.175 . . . . 0.0 112.472 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -70.49 -35.88 73.5 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.107 0.867 . . . . 0.0 112.255 -172.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.47 -37.55 87.93 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.462 1.028 . . . . 0.0 111.928 172.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.99 -39.46 87.14 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.318 -0.864 . . . . 0.0 111.18 172.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -25.85 61.61 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 164.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.73 -38.75 86.02 Favored Glycine 0 CA--C 1.535 1.34 0 O-C-N 121.333 -0.855 . . . . 0.0 113.221 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -89.67 -19.41 24.88 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -53.58 133.61 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.284 1.034 . . . . 0.0 113.131 -169.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -87.07 85.01 7.2 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.891 0.876 . . . . 0.0 108.86 174.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 87.0 t -52.15 -35.62 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 124.33 1.052 . . . . 0.0 113.609 -170.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -44.25 86.33 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.025 1.33 . . . . 0.0 113.018 174.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -95.4 -38.34 10.53 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.691 -0.631 . . . . 0.0 111.455 -167.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -34.84 70.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 O-C-N 121.535 -0.728 . . . . 0.0 110.616 165.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.33 -46.79 67.82 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-O 119.426 -0.652 . . . . 0.0 111.605 174.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.32 -42.79 95.73 Favored Glycine 0 N--CA 1.469 0.873 0 CA-C-N 118.072 0.936 . . . . 0.0 113.726 170.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -64.46 -38.34 90.68 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 123.601 0.76 . . . . 0.0 112.143 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.14 -51.72 35.53 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 119.662 1.119 . . . . 0.0 111.813 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . 0.438 HD21 ' CD2' ' D' ' 63' ' ' HIS . 0.9 OUTLIER -75.43 -22.36 57.44 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -178.589 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.575 ' O ' HG13 ' D' ' 33' ' ' VAL . . . -69.05 -59.11 6.11 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 164.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' ARG . . . . . 0.527 ' HA ' HG22 ' D' ' 33' ' ' VAL . 39.6 mtt180 -53.83 -33.96 57.8 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 120.724 -1.457 . . . . 0.0 112.636 176.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . 0.44 ' HA ' HG21 ' D' ' 109' ' ' VAL . 58.9 tp -49.73 -39.69 38.22 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.591 1.156 . . . . 0.0 113.139 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.15 -11.12 8.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 118.719 -0.658 . . . . 0.0 112.264 -168.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 33' ' ' VAL . . . . . 0.575 HG13 ' O ' ' D' ' 29' ' ' GLY . 15.8 m -62.47 -24.91 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 119.536 1.062 . . . . 0.0 111.8 166.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 34' ' ' VAL . . . . . 0.402 HG23 ' H ' ' D' ' 34' ' ' VAL . 0.2 OUTLIER -58.62 1.59 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 173.4 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.74 38.06 0.44 Allowed Pre-proline 0 CA--C 1.559 1.31 0 C-N-CA 126.542 1.937 . . . . 0.0 114.394 -168.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -77.39 178.8 7.19 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.771 2.314 . . . . 0.0 110.72 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 14.1 p90 -50.02 -31.8 13.76 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.972 -1.08 . . . . 0.0 113.006 167.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.05 -25.41 61.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.804 1.242 . . . . 0.0 113.956 174.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -27.03 59.01 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.182 0.901 . . . . 0.0 111.17 173.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 5.7 ptt-85 -48.9 -38.96 24.16 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 119.879 1.218 . . . . 0.0 113.832 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.02 0.22 45.83 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.761 1.224 . . . . 0.0 112.044 -174.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.65 -35.06 40.71 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 120.436 -1.415 . . . . 0.0 114.551 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -59.96 -16.37 29.65 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 18.4 t -85.22 -23.22 28.35 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 173.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . 0.736 ' HB2' HD11 ' D' ' 48' ' ' LEU . 12.3 m-85 -96.27 -2.5 45.87 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.032 -1.043 . . . . 0.0 113.385 -179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.23 31.26 74.32 Favored Glycine 0 N--CA 1.479 1.516 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 162.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . 0.548 ' C ' HD12 ' D' ' 48' ' ' LEU . 0.5 OUTLIER -165.65 -129.56 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 125.818 1.647 . . . . 0.0 108.687 -172.785 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 48' ' ' LEU . . . . . 0.736 HD11 ' HB2' ' D' ' 45' ' ' PHE . 0.3 OUTLIER 63.29 -8.04 0.15 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.865 2.466 . . . . 0.0 116.615 168.36 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 41.0 m -56.97 -18.4 13.41 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.237 1.815 . . . . 0.0 114.447 172.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 1.4 p -141.21 162.74 46.16 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.717 1.607 . . . . 0.0 110.67 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -55.45 -54.8 3.73 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.797 2.332 . . . . 0.0 112.041 172.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.73 -39.15 90.54 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.995 0.918 . . . . 0.0 111.914 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.19 -46.63 79.33 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.182 0.593 . . . . 0.0 110.88 173.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . 0.461 HG11 ' CG1' ' D' ' 33' ' ' VAL . 0.3 OUTLIER -70.99 -46.65 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.883 1.219 . . . . 0.0 113.344 -178.754 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 1.7 mtt -70.4 -23.3 62.74 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.751 0.705 . . . . 0.0 112.03 -173.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.54 -11.04 49.0 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 124.973 1.273 . . . . 0.0 115.255 174.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -61.63 120.16 53.73 Favored Pre-proline 0 N--CA 1.474 0.758 0 CA-C-N 119.924 1.862 . . . . 0.0 111.536 -175.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -63.59 -24.95 69.65 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 122.995 2.463 . . . . 0.0 113.497 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -76.15 -46.98 26.01 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.908 1.231 . . . . 0.0 112.909 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -66.36 -34.5 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 CA-C-N 119.315 0.961 . . . . 0.0 112.248 170.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -57.7 -57.44 12.72 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 119.504 1.047 . . . . 0.0 111.398 168.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.97 -50.6 70.36 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.449 1.5 . . . . 0.0 112.843 -178.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 63' ' ' HIS . . . . . 0.438 ' CD2' HD21 ' D' ' 28' ' ' LEU . 0.9 OUTLIER -64.84 -33.93 77.16 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.515 -0.741 . . . . 0.0 111.563 174.829 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.82 -40.59 64.85 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.366 1.46 . . . . 0.0 112.827 168.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.97 -41.11 99.45 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 121.896 -0.767 . . . . 0.0 111.889 172.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -63.87 -52.19 61.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.451 0.701 . . . . 0.0 111.096 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 31.2 m -59.83 -46.82 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.518 0.327 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.31 -38.49 68.7 Favored 'General case' 0 C--O 1.224 -0.247 0 O-C-N 121.118 -0.988 . . . . 0.0 111.736 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.91 -42.57 53.92 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 123.929 0.776 . . . . 0.0 111.677 172.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.94 -47.27 81.16 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 170.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . 0.446 ' CE2' HD23 ' D' ' 110' ' ' LEU . 2.3 m-30 -55.53 -37.13 67.53 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 120.333 -1.479 . . . . 0.0 111.599 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 7.0 t -67.56 -42.99 81.74 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.434 1.494 . . . . 0.0 113.181 172.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -56.31 -31.48 63.72 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.026 0.83 . . . . 0.0 111.838 168.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.48 -61.68 6.59 Favored Glycine 0 C--N 1.338 0.666 0 C-N-CA 124.31 0.957 . . . . 0.0 111.041 169.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 mt -54.25 -27.8 37.23 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.91 -27.4 54.9 Favored 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 171.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -142.96 54.99 1.38 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.377 1.871 . . . . 0.0 112.577 -171.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.25 -11.3 59.14 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -59.33 -38.46 80.39 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.777 1.231 . . . . 0.0 113.673 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -153.93 107.79 2.99 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.592 1.557 . . . . 0.0 110.379 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 67.2 mt -83.35 -21.48 33.1 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 173.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -69.55 -7.5 39.02 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 120.539 -1.351 . . . . 0.0 113.731 -174.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -115.7 -46.7 0.55 Allowed Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.888 1.709 . . . . 0.0 113.545 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.2 p -60.61 -26.3 66.89 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 118.644 1.222 . . . . 0.0 113.492 173.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -108.95 -1.96 18.64 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 117.941 -1.028 . . . . 0.0 113.345 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.64 -38.83 67.35 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 120.594 1.543 . . . . 0.0 114.272 -174.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 6.5 p -64.41 -35.43 80.88 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.397 1.079 . . . . 0.0 112.616 172.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 44.7 mt -72.99 -39.67 65.89 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.88 0.872 . . . . 0.0 111.126 173.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 1.5 m -56.1 -48.1 76.81 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 120.797 -1.189 . . . . 0.0 110.964 171.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -62.32 -44.07 97.35 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.984 1.314 . . . . 0.0 112.746 174.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 44.3 tp -58.77 -53.08 62.42 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.304 -0.872 . . . . 0.0 111.784 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -77.27 6.74 6.19 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -177.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 18.8 p -120.28 -76.37 0.58 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.65 0.659 . . . . 0.0 110.942 160.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.69 -22.73 65.58 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -167.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 -28.61 11.81 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.147 0.979 . . . . 0.0 113.211 173.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 50.6 mt -142.34 39.71 1.58 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.753 1.221 . . . . 0.0 113.306 -163.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -7.53 -60.16 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 118.719 2.859 . . . . 0.0 118.719 -167.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 2.5 p 24.34 98.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 129.281 3.033 . . . . 0.0 116.02 173.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -9.71 110.54 0.04 OUTLIER Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 125.48 1.512 . . . . 0.0 114.911 155.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -53.27 -24.41 26.76 Favored 'Trans proline' 0 CA--C 1.547 1.162 0 C-N-CA 122.215 1.943 . . . . 0.0 114.573 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -46.38 -36.13 6.14 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 119.499 -2.0 . . . . 0.0 114.409 166.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -68.15 -27.47 66.46 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 117.53 -1.224 . . . . 0.0 114.185 174.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 103' ' ' PHE . . . . . 0.683 ' CE1' ' HB1' ' D' ' 138' ' ' ALA . 0.3 OUTLIER -60.49 -40.73 92.4 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 121.142 1.792 . . . . 0.0 109.296 166.157 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 104' ' ' ARG . . . . . 0.41 ' N ' ' CD1' ' D' ' 103' ' ' PHE . 31.0 ttp85 -72.02 -42.44 66.38 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.783 -0.573 . . . . 0.0 110.468 -168.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 7.8 mp -54.78 -46.2 74.39 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.318 -0.849 . . . . 0.0 111.531 166.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.45 -44.42 80.46 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.955 1.252 . . . . 0.0 111.962 176.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.64 -60.87 8.12 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 123.085 0.374 . . . . 0.0 113.227 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -55.83 -35.2 66.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.721 0.808 . . . . 0.0 112.565 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 109' ' ' VAL . . . . . 0.44 HG21 ' HA ' ' D' ' 31' ' ' LEU . 43.1 t -70.95 -46.59 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 121.026 -1.046 . . . . 0.0 111.756 176.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . 0.446 HD23 ' CE2' ' D' ' 71' ' ' PHE . 51.4 tp -58.24 -41.49 84.27 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.754 1.161 . . . . 0.0 111.548 -178.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 1.1 m -64.89 -30.58 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 O-C-N 121.089 -1.007 . . . . 0.0 111.859 176.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 29.9 t -72.04 -39.34 69.17 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.132 -0.98 . . . . 0.0 113.222 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.5 -41.88 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 O-C-N 120.22 -1.55 . . . . 0.0 111.899 172.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 25.3 mt -60.98 -39.57 90.12 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.151 0.432 . . . . 0.0 110.685 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.35 -28.99 63.62 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 169.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 32.4 t-80 -79.3 -56.25 4.48 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.646 1.566 . . . . 0.0 112.766 171.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.94 -25.05 66.95 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -170.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -134.21 27.61 3.8 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.433 1.493 . . . . 0.0 112.468 -176.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -51.07 -39.83 42.31 Favored Glycine 0 N--CA 1.476 1.321 0 N-CA-C 116.762 1.465 . . . . 0.0 116.762 -168.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -67.58 -14.05 62.6 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 118.0 0.9 . . . . 0.0 113.187 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -114.84 1.06 13.98 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.048 2.139 . . . . 0.0 111.385 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -94.03 68.42 3.77 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.107 1.363 . . . . 0.0 112.046 -174.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 30.9 p -58.11 156.71 19.13 Favored Pre-proline 0 N--CA 1.473 0.707 0 C-N-CA 124.253 1.021 . . . . 0.0 112.3 -175.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -46.35 -52.69 6.93 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 121.699 1.599 . . . . 0.0 113.353 168.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -64.01 -29.06 66.2 Favored 'Trans proline' 0 C--N 1.354 0.829 0 CA-C-O 116.737 -1.443 . . . . 0.0 114.278 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -42.38 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 122.174 2.261 . . . . 0.0 110.92 174.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -49.81 76.09 Favored 'General case' 0 CA--C 1.527 0.067 0 O-C-N 121.799 -0.563 . . . . 0.0 110.534 177.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.95 -22.92 66.51 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.81 -49.48 45.89 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 130' ' ' TYR . . . . . 0.564 ' CE1' HG23 ' D' ' 11' ' ' VAL . 61.2 m-85 -53.75 -48.81 69.34 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 118.471 -0.776 . . . . 0.0 111.217 166.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -56.25 -37.13 69.34 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.581 1.082 . . . . 0.0 112.314 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -71.75 -43.49 65.69 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.995 1.27 . . . . 0.0 114.35 173.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.42 -45.75 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 CA-C-N 120.806 1.639 . . . . 0.0 109.975 173.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 50.5 t -78.72 -29.16 14.39 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 CA-C-O 117.433 -1.27 . . . . 0.0 112.126 -171.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.25 83.7 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 121.128 1.786 . . . . 0.0 112.169 166.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -65.77 -49.67 57.98 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 121.157 -0.965 . . . . 0.0 112.232 168.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.77 -44.23 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.346 1.058 . . . . 0.0 111.693 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 138' ' ' ALA . . . . . 0.683 ' HB1' ' CE1' ' D' ' 103' ' ' PHE . . . -51.46 -58.66 5.65 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 127.055 2.142 . . . . 0.0 112.003 170.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -57.56 -36.36 71.57 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.167 0.587 . . . . 0.0 112.089 178.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.32 75.1 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.864 -0.588 . . . . 0.0 112.569 173.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.95 -38.41 90.86 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 120.837 1.653 . . . . 0.0 111.828 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.79 -11.87 41.48 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.363 1.465 . . . . 0.0 113.894 170.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -57.09 -29.95 63.92 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 120.533 1.515 . . . . 0.0 113.681 -176.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -87.46 5.33 39.49 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 175.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.35 -17.53 4.2 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.356 1.862 . . . . 0.0 113.376 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.255 1.374 0 C-N-CA 129.253 3.021 . . . . 0.0 117.607 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.515 2.781 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -146.83 161.05 41.48 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.041 1.336 . . . . 0.0 111.719 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -71.56 155.65 92.3 Favored Pre-proline 0 N--CA 1.48 1.044 0 C-N-CA 123.968 0.907 . . . . 0.0 112.371 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.0 -40.92 8.31 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 122.89 2.393 . . . . 0.0 114.352 -168.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.14 -38.43 88.94 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.341 0.518 . . . . 0.0 111.959 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -56.81 -49.73 74.49 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.207 0.603 . . . . 0.0 110.958 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -55.5 -44.7 76.82 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.524 0.73 . . . . 0.0 110.827 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.7 m -59.58 -42.66 93.01 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.145 0.578 . . . . 0.0 111.444 177.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -64.78 -38.87 92.45 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.275 0.943 . . . . 0.0 112.094 174.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.35 -49.3 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.693 0.679 . . . . 0.0 111.239 173.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.69 -44.27 96.74 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 118.95 0.796 . . . . 0.0 111.194 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.34 -52.59 64.97 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.447 0.699 . . . . 0.0 111.491 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.98 -55.87 29.6 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.481 0.713 . . . . 0.0 112.146 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.404 ' CZ3' HG11 ' A' ' 17' ' ' VAL . 20.4 t-105 -63.53 -28.82 70.21 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.466 -0.771 . . . . 0.0 112.835 -176.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.83 -43.5 92.27 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.311 0.958 . . . . 0.0 113.526 169.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -73.55 -31.75 63.82 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 118.611 1.205 . . . . 0.0 111.851 174.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.43 HG12 ' HB2' ' A' ' 21' ' ' ALA . 91.3 t -67.51 -21.08 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 125.271 1.428 . . . . 0.0 113.283 176.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.66 139.64 2.51 Favored Glycine 0 CA--C 1.543 1.835 0 C-N-CA 124.866 1.222 . . . . 0.0 114.52 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 61.53 -35.77 0.1 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 128.317 2.647 . . . . 0.0 116.454 -168.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -75.58 -20.37 58.66 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.701 1.137 . . . . 0.0 113.727 174.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.43 ' HB2' HG12 ' A' ' 17' ' ' VAL . . . -47.55 -44.98 26.46 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.064 1.746 . . . . 0.0 115.131 -171.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.54 -35.63 91.46 Favored Glycine 0 N--CA 1.471 0.99 0 O-C-N 121.486 -0.759 . . . . 0.0 113.521 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -63.89 -46.87 82.95 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.141 0.976 . . . . 0.0 110.216 174.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -60.31 -39.94 88.76 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.413 0.685 . . . . 0.0 112.317 175.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.94 -48.42 83.71 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-N 118.623 0.647 . . . . 0.0 112.802 172.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.99 -46.11 90.52 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.283 1.042 . . . . 0.0 112.125 177.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.54 -40.01 95.44 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 121.623 -0.673 . . . . 0.0 112.553 173.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.408 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -62.5 -40.06 95.49 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.201 0.91 . . . . 0.0 112.596 178.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.0 mt -65.31 -49.7 68.45 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.458 1.103 . . . . 0.0 111.887 173.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.24 -43.11 99.41 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.622 -0.674 . . . . 0.0 112.522 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -60.42 -46.69 89.13 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.358 -0.839 . . . . 0.0 111.82 172.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 38.5 ttp -54.36 -48.28 71.65 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.676 1.125 . . . . 0.0 112.133 173.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.96 -52.21 51.85 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.533 1.133 . . . . 0.0 113.009 176.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -86.02 -30.25 22.82 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -173.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.6 m -69.49 -28.27 65.91 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.443 1.019 . . . . 0.0 113.411 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -139.38 76.86 30.57 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 124.415 1.086 . . . . 0.0 109.615 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -48.89 -29.25 14.77 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 124.991 3.794 . . . . 0.0 116.878 -169.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 p -52.83 -35.8 57.74 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.65 1.18 . . . . 0.0 112.91 173.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.6 p -56.93 -27.12 60.59 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 176.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -28.91 66.08 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.682 1.128 . . . . 0.0 112.749 174.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -23.0 56.95 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.522 1.129 . . . . 0.0 113.879 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.32 -38.11 79.46 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.089 0.404 . . . . 0.0 111.839 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 28.0 53.44 0.41 Allowed Pre-proline 0 CA--C 1.559 1.297 0 C-N-CA 128.622 2.769 . . . . 0.0 115.278 172.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.92 -57.49 0.16 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.98 2.453 . . . . 0.0 113.388 -159.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -158.32 27.58 0.25 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.981 1.313 . . . . 0.0 112.72 171.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.7 173.85 11.12 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.788 1.235 . . . . 0.0 113.224 -175.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -141.55 158.54 43.71 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.51 1.524 . . . . 0.0 111.496 -177.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.8 mt -121.41 31.42 6.32 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.123 0.969 . . . . 0.0 112.038 -156.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.5 p -64.35 17.02 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.351 2.66 . . . . 0.0 117.484 -170.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.2 t60 69.98 127.91 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 128.769 2.827 . . . . 0.0 112.965 -172.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.75 20.31 75.76 Favored Glycine 0 CA--C 1.542 1.751 0 O-C-N 121.359 -0.838 . . . . 0.0 114.792 -174.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.1 t -57.29 125.96 25.11 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.048 1.339 . . . . 0.0 113.297 -176.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.86 -34.98 70.33 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.009 0.924 . . . . 0.0 112.696 173.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -71.05 -39.42 72.25 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.793 -0.567 . . . . 0.0 111.783 177.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 84.9 t -64.34 -42.34 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-N 119.043 0.838 . . . . 0.0 111.421 172.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -59.15 -49.18 78.85 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.103 0.961 . . . . 0.0 112.162 174.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.45 -47.0 91.25 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.211 0.91 . . . . 0.0 112.804 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -58.45 -40.6 83.06 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.554 -0.969 . . . . 0.0 111.735 172.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.14 -51.23 51.84 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.479 1.038 . . . . 0.0 113.57 171.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -57.2 -37.65 72.5 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 118.277 1.038 . . . . 0.0 113.104 171.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -69.62 -46.26 66.64 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.317 0.962 . . . . 0.0 112.292 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.2 t -56.27 -46.17 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.378 0.99 . . . . 0.0 110.466 171.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.41 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -59.9 -50.49 73.59 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 176.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -60.21 -40.57 90.58 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.937 0.79 . . . . 0.0 112.073 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.92 -36.93 85.01 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 171.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.74 -45.85 84.71 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 118.505 -0.759 . . . . 0.0 111.245 170.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.5 m -55.66 -45.44 77.71 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 120.091 1.314 . . . . 0.0 112.0 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -57.25 -50.11 73.91 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.456 1.502 . . . . 0.0 111.552 172.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.08 -36.65 77.84 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.043 -1.036 . . . . 0.0 113.773 174.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.7 t -67.25 -45.02 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 119.626 1.103 . . . . 0.0 110.847 173.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.09 -26.13 68.69 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.509 1.124 . . . . 0.0 113.471 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -130.58 34.77 4.1 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.184 1.393 . . . . 0.0 112.704 -174.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.2 p -58.98 -8.41 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 120.202 -1.561 . . . . 0.0 115.064 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -107.95 -2.27 19.9 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.634 1.574 . . . . 0.0 114.86 171.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -140.85 1.94 1.72 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.195 1.798 . . . . 0.0 113.877 -174.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.478 ' HA ' ' HB3' ' A' ' 79' ' ' ALA 0.308 0.0 OUTLIER -61.88 -19.54 0.54 Allowed Pre-proline 0 CA--C 1.545 0.782 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 -175.022 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -44.24 -32.7 5.28 Favored 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 123.532 2.821 . . . . 0.0 116.315 165.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -103.09 -34.6 8.82 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 172.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 76' ' ' MET . . . -63.96 -16.48 61.64 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 178.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.8 mt -110.26 17.17 21.19 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.451 1.5 . . . . 0.0 112.646 175.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.1 p -53.76 -43.15 68.95 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.633 1.106 . . . . 0.0 113.851 -175.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.2 -23.96 62.7 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.926 0.89 . . . . 0.0 113.331 173.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mt -95.23 -32.66 12.92 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.082 -1.011 . . . . 0.0 111.546 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.0 t -52.31 -42.91 64.2 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 157.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.63 -39.1 92.78 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.576 -1.328 . . . . 0.0 114.039 171.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.61 -39.18 67.65 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 120.362 1.437 . . . . 0.0 112.315 168.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -87.02 -18.09 31.44 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.32 -35.5 8.39 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -175.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -143.87 -54.91 0.37 Allowed 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -54.18 -40.91 67.98 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 120.859 1.663 . . . . 0.0 113.578 -167.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 mt -136.38 -4.93 2.07 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 171.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 48.63 36.93 8.41 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 126.555 1.942 . . . . 0.0 115.181 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.0 t -47.63 124.47 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 126.151 1.78 . . . . 0.0 113.44 -176.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.58 118.32 49.79 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 124.771 1.228 . . . . 0.0 112.555 176.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -46.91 -35.74 18.79 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 125.024 3.816 . . . . 0.0 116.557 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.0 p -54.22 -34.94 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 120.896 -1.127 . . . . 0.0 112.839 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -64.08 -33.73 76.43 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.41 -0.806 . . . . 0.0 111.424 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 133' ' ' SER . 0.0 OUTLIER -57.61 -45.01 85.88 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 120.839 -1.163 . . . . 0.0 110.41 170.853 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -61.03 -39.93 91.67 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.321 0.648 . . . . 0.0 110.563 -172.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.69 -60.19 3.86 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.45 0.7 . . . . 0.0 110.681 171.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -34.86 70.19 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.964 0.802 . . . . 0.0 112.109 -175.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.3 t -56.55 -53.68 54.73 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.052 1.741 . . . . 0.0 112.629 173.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -60.11 -41.57 92.84 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.416 -0.803 . . . . 0.0 111.482 172.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 75.8 m -66.46 -24.47 66.44 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.3 mt -75.44 -48.19 23.87 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.312 1.045 . . . . 0.0 111.513 169.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 31.4 mt -50.84 -43.87 59.22 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.875 0.761 . . . . 0.0 111.783 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.6 m -66.82 -37.64 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 174.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 22.1 p -74.66 -32.16 62.16 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.745 1.611 . . . . 0.0 112.185 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.71 -51.21 70.73 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 121.719 0.771 . . . . 0.0 108.983 166.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.39 -24.35 67.61 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.67 -10.91 21.51 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 174.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -131.34 -36.11 1.3 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.7 mp -77.64 156.08 80.75 Favored Pre-proline 0 CA--C 1.56 1.343 0 CA-C-N 119.247 0.93 . . . . 0.0 111.53 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -54.41 -35.91 86.05 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 124.043 3.162 . . . . 0.0 116.351 -170.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -146.05 -48.12 0.21 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.553 1.141 . . . . 0.0 111.354 173.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 67.3 -9.1 0.42 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.37 1.468 . . . . 0.0 114.747 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -116.24 6.11 13.78 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -166.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.6 p -56.77 158.33 8.89 Favored Pre-proline 0 N--CA 1.47 0.566 0 C-N-CA 123.405 0.682 . . . . 0.0 111.088 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -50.66 -41.88 52.15 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.584 2.189 . . . . 0.0 113.957 172.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.66 -52.94 54.68 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.127 0.421 . . . . 0.0 111.612 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.5 t -72.58 -48.03 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 121.448 -0.783 . . . . 0.0 112.326 -172.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.05 -41.54 61.61 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.934 1.243 . . . . 0.0 113.065 -175.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.3 88.61 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 120.178 1.354 . . . . 0.0 110.694 174.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.1 t -57.23 -61.24 2.61 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 118.951 -0.547 . . . . 0.0 111.992 174.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.47 -41.42 98.59 Favored 'General case' 0 C--O 1.226 -0.165 0 CA-C-N 119.574 1.079 . . . . 0.0 113.558 -174.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.13 -48.24 80.84 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.82 1.191 . . . . 0.0 111.264 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.412 ' HA ' ' HB3' ' A' ' 130' ' ' ALA 0.316 0.0 OUTLIER -82.99 -17.89 41.82 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -177.964 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -71.98 -46.45 57.29 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.58 1.152 . . . . 0.0 112.071 164.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.64 -33.43 72.78 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.495 -1.378 . . . . 0.0 110.719 170.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 127' ' ' LYS . . . -64.17 -41.7 97.01 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 168.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.2 p -69.33 -42.38 75.43 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 121.658 2.026 . . . . 0.0 112.792 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 75.6 t -53.08 -46.84 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.04 1.336 . . . . 0.0 110.551 167.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.447 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 42.9 t -59.38 -51.07 71.51 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 118.295 -0.86 . . . . 0.0 113.093 171.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 47.8 m -50.91 -36.09 36.54 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 120.321 1.418 . . . . 0.0 112.636 176.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 53.8 t -72.66 -49.31 41.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 121.54 -0.725 . . . . 0.0 112.295 170.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.38 -39.14 69.76 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.002 -1.061 . . . . 0.0 113.543 175.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 72.6 p -86.78 4.96 38.81 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.806 1.642 . . . . 0.0 113.437 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 CA--C 1.547 0.84 0 CA-C-O 121.89 0.852 . . . . 0.0 112.681 170.686 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.515 2.795 0 CA-C-O 119.357 -0.354 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -132.16 74.3 1.58 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.868 1.267 . . . . 0.0 110.622 -170.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.74 157.62 9.21 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 121.46 -0.775 . . . . 0.0 110.974 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.3 p -63.68 151.96 87.37 Favored Pre-proline 0 N--CA 1.479 0.982 0 CA-C-O 118.493 -0.765 . . . . 0.0 109.301 167.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -54.54 -37.11 90.37 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.367 2.045 . . . . 0.0 114.09 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -70.85 -44.46 66.38 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.262 0.625 . . . . 0.0 112.176 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.37 -38.43 87.56 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.326 -0.859 . . . . 0.0 111.6 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -57.1 -46.35 82.66 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.61 1.096 . . . . 0.0 111.108 172.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.4 t -58.23 -45.75 87.14 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.787 0.721 . . . . 0.0 111.036 173.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.88 -49.68 74.79 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 p -67.88 -50.75 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 119.4 1.0 . . . . 0.0 112.071 173.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.4 m -72.06 -35.77 69.4 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.955 0.798 . . . . 0.0 111.792 -168.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.23 -36.17 74.35 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.777 -1.202 . . . . 0.0 112.313 175.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -69.2 -38.64 78.73 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.21 -0.931 . . . . 0.0 110.649 172.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -55.01 -42.37 72.47 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.67 -0.644 . . . . 0.0 111.773 166.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.37 -26.65 44.95 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 126.558 2.028 . . . . 0.0 116.551 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.73 -3.65 14.93 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 119.5 1.65 . . . . 0.0 114.57 171.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.49 136.4 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 124.147 0.979 . . . . 0.0 111.509 177.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -90.86 87.61 6.72 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 74.9 t -50.84 -38.97 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -165.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -71.7 -37.66 70.64 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 177.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -80.71 -55.41 4.85 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.126 0.57 . . . . 0.0 110.54 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.0 -31.94 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 O-C-N 121.282 -0.886 . . . . 0.0 112.219 175.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.97 -44.02 31.84 Favored Glycine 0 C--N 1.343 0.958 0 CA-C-N 119.47 1.032 . . . . 0.0 111.991 176.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.83 -48.34 79.08 Favored Glycine 0 CA--C 1.525 0.667 0 CA-C-N 117.931 0.866 . . . . 0.0 112.594 169.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.68 -28.55 67.79 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 117.86 -1.067 . . . . 0.0 112.868 174.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.18 -64.21 0.9 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 121.555 1.98 . . . . 0.0 111.131 173.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.1 tp -67.55 -35.1 78.41 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.62 -0.675 . . . . 0.0 111.232 -175.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.446 ' O ' HG13 ' B' ' 33' ' ' VAL . . . -52.65 -59.0 9.75 Favored Glycine 0 C--N 1.336 0.539 0 CA-C-O 118.191 -1.338 . . . . 0.0 111.416 163.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.444 ' HD2' ' HE2' ' B' ' 116' ' ' HIS . 0.5 OUTLIER -49.83 -43.6 48.88 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.751 1.775 . . . . 0.0 112.537 -179.702 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.428 ' HA ' HG21 ' B' ' 109' ' ' VAL . 16.2 tp -51.98 -51.8 54.76 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.973 1.715 . . . . 0.0 110.533 175.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 mp -83.9 -9.04 59.02 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 117.54 -1.219 . . . . 0.0 113.011 -176.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.446 HG13 ' O ' ' B' ' 29' ' ' GLY . 2.0 m -75.32 -26.02 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 CA-C-N 121.215 1.825 . . . . 0.0 114.205 167.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.16 8.07 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 CA-C-N 121.042 1.746 . . . . 0.0 113.657 -176.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 47.96 39.5 0.59 Allowed Pre-proline 0 CA--C 1.559 1.312 0 C-N-CA 126.393 1.877 . . . . 0.0 115.455 -167.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -76.86 160.43 34.01 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.78 1.653 . . . . 0.0 112.228 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 9.6 p90 -54.05 -26.54 27.18 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.552 1.541 . . . . 0.0 113.938 169.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 16.3 p -59.91 -15.98 25.99 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 172.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -52.73 -20.78 3.41 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 166.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -48.08 -29.84 3.93 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 173.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.79 4.83 42.86 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -177.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -54.93 -17.61 3.91 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 -175.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -53.75 -31.62 49.18 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.479 1.112 . . . . 0.0 112.62 172.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.2 m -83.97 -2.16 56.03 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.261 1.424 . . . . 0.0 114.454 173.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -117.85 -27.14 6.28 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.084 1.354 . . . . 0.0 112.846 -169.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.44 -135.52 13.71 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-N 120.283 1.401 . . . . 0.0 113.448 175.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -46.86 95.33 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.14 2.176 . . . . 0.0 114.223 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 tt -147.29 -16.6 0.39 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -173.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -58.53 -12.93 4.52 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 -173.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 35.7 p -136.22 157.01 76.43 Favored Pre-proline 0 N--CA 1.474 0.727 0 C-N-CA 126.438 1.895 . . . . 0.0 111.099 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.76 -41.06 49.23 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.27 2.647 . . . . 0.0 114.828 -172.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.04 -37.33 81.21 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.785 -0.572 . . . . 0.0 112.479 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.18 -53.19 61.11 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.895 0.878 . . . . 0.0 112.476 -175.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -61.87 -27.81 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -175.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 32.6 ttm -84.25 -26.28 28.77 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.32 -31.82 10.24 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.03 0.824 . . . . 0.0 114.201 175.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -39.5 113.91 0.89 Allowed Pre-proline 0 CA--C 1.557 1.247 0 C-N-CA 128.414 2.686 . . . . 0.0 115.149 -176.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.3 -42.0 68.49 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 124.199 3.266 . . . . 0.0 114.778 175.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -65.66 -39.83 91.8 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.965 1.306 . . . . 0.0 111.885 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.34 -42.05 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.702 0.801 . . . . 0.0 111.298 171.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -63.83 -43.42 96.25 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.697 1.135 . . . . 0.0 112.352 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.92 -52.91 61.23 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.451 1.1 . . . . 0.0 112.862 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -63.68 -33.36 75.46 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.832 -1.168 . . . . 0.0 111.788 172.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.49 -49.92 66.15 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.749 1.166 . . . . 0.0 113.553 169.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -55.92 -41.56 74.77 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 118.076 0.938 . . . . 0.0 111.308 169.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -70.78 -48.0 56.59 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 117.968 -1.015 . . . . 0.0 113.575 -177.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 m -58.55 -40.05 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 CA-C-N 120.631 1.559 . . . . 0.0 110.774 172.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 2.8 tt -69.77 -33.2 72.07 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.671 -0.643 . . . . 0.0 112.44 176.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.4 -37.62 82.7 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 125.482 1.515 . . . . 0.0 113.237 167.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.79 -46.67 71.31 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.606 1.203 . . . . 0.0 111.861 170.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.408 ' CD2' HD22 ' B' ' 110' ' ' LEU . 21.5 m-85 -57.41 -38.61 74.61 Favored 'General case' 0 CA--C 1.55 0.965 0 O-C-N 120.876 -1.14 . . . . 0.0 112.528 174.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.5 p -78.44 -36.36 45.63 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -57.48 -36.19 71.17 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.38 0.991 . . . . 0.0 110.928 165.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.94 -60.14 9.23 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-O 119.523 -0.598 . . . . 0.0 111.824 166.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.9 mt -54.1 -27.0 30.2 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 176.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.01 -22.9 25.22 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.496 1.518 . . . . 0.0 114.7 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -140.12 38.04 1.93 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.299 1.44 . . . . 0.0 112.558 -169.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 65.1 mt -54.06 -23.2 12.86 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -174.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -64.1 -25.86 68.29 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.88 1.672 . . . . 0.0 114.828 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -157.26 86.75 0.96 Allowed 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.403 1.001 . . . . 0.0 113.138 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 43.0 mt -73.23 -29.34 62.71 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -69.73 -18.4 63.52 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.796 -1.19 . . . . 0.0 113.638 -176.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -93.85 -43.43 3.87 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.516 1.055 . . . . 0.0 113.299 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 23.2 p -65.27 -31.54 72.74 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 118.606 1.203 . . . . 0.0 112.987 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . 0.428 ' CE2' HG22 ' B' ' 137' ' ' VAL . 14.5 m-85 -105.83 12.13 31.13 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -176.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.1 -41.42 64.93 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 121.116 1.78 . . . . 0.0 113.547 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 22.0 p -66.31 -41.47 89.67 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.082 1.353 . . . . 0.0 112.865 173.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 44.2 mt -68.81 -35.69 77.31 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.386 0.675 . . . . 0.0 111.714 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 5.5 t -63.6 -45.83 88.56 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.381 1.072 . . . . 0.0 110.21 172.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -56.96 -48.68 77.78 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.1 -1.0 . . . . 0.0 112.23 171.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 51.1 tp -52.85 -56.15 17.89 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.983 0.811 . . . . 0.0 110.691 175.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -76.32 18.77 0.28 Allowed 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 83.9 m -135.58 -76.13 0.44 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.813 1.245 . . . . 0.0 110.866 171.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.55 -29.75 70.21 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.4 1.48 . . . . 0.0 113.908 -174.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -102.11 -39.77 7.13 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.287 1.035 . . . . 0.0 112.013 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.41 ' C ' ' H ' ' B' ' 98' ' ' VAL . 0.0 OUTLIER -142.49 79.25 1.65 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.667 1.587 . . . . 0.0 110.321 -176.065 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.29 30.11 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 125.706 1.602 . . . . 0.0 113.701 172.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' VAL . . . . . 0.41 ' H ' ' C ' ' B' ' 96' ' ' LEU . 77.0 t -41.23 137.34 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 129.261 3.024 . . . . 0.0 111.85 175.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -61.83 141.47 95.27 Favored Pre-proline 0 CA--C 1.553 1.085 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -173.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.71 -28.22 68.64 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.083 2.522 . . . . 0.0 114.696 -169.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -56.92 -37.1 70.98 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.997 -1.064 . . . . 0.0 112.095 173.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -59.01 -37.46 76.93 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 121.514 -0.741 . . . . 0.0 111.982 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -69.24 -45.97 68.46 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.776 0.83 . . . . 0.0 111.151 177.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -59.05 -42.48 90.38 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.709 0.404 . . . . 0.0 111.303 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.8 -43.77 98.19 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.809 0.844 . . . . 0.0 112.844 173.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.6 tt -61.57 -30.88 70.95 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.531 1.514 . . . . 0.0 111.719 170.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' GLY . . . . . 0.442 ' CA ' HG11 ' B' ' 134' ' ' VAL . . . -64.87 -55.47 22.03 Favored Glycine 0 CA--C 1.526 0.739 0 O-C-N 120.274 -1.516 . . . . 0.0 114.517 170.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -59.23 -20.99 58.78 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 117.961 0.881 . . . . 0.0 112.342 171.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.428 HG21 ' HA ' ' B' ' 31' ' ' LEU . 10.6 t -65.7 -56.27 15.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 O-C-N 119.849 -1.782 . . . . 0.0 112.107 166.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.408 HD22 ' CD2' ' B' ' 71' ' ' PHE . 58.8 tp -53.02 -51.15 62.62 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 118.934 0.788 . . . . 0.0 111.833 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 m -56.55 -37.17 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.354 -175.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 35.1 m -77.41 -37.8 51.09 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 117.333 -1.318 . . . . 0.0 112.954 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . 0.562 ' HA ' ' CD2' ' B' ' 116' ' ' HIS . 6.0 p -60.66 -32.5 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 CA-C-N 121.85 2.114 . . . . 0.0 112.773 174.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.425 HD13 ' CE2' ' B' ' 130' ' ' TYR . 28.1 mt -62.42 -40.5 96.77 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.703 -0.623 . . . . 0.0 110.978 171.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . 0.409 ' HB2' ' CD2' ' B' ' 122' ' ' PHE . . . -65.34 -35.96 82.56 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 169.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . 0.562 ' CD2' ' HA ' ' B' ' 113' ' ' VAL . 6.8 m-70 -66.43 -32.8 74.4 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.012 0.925 . . . . 0.0 112.027 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -91.63 -37.64 12.94 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.627 0.771 . . . . 0.0 112.723 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -121.54 35.66 4.82 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.904 1.282 . . . . 0.0 113.237 -169.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -43.32 -47.23 6.84 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.956 1.741 . . . . 0.0 116.915 -173.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -23.21 67.27 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 118.426 1.113 . . . . 0.0 114.003 178.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -106.04 -3.46 21.58 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.192 1.797 . . . . 0.0 111.966 -177.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' B' ' 115' ' ' ALA . 17.3 t80 -78.75 64.5 3.76 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.014 1.326 . . . . 0.0 111.835 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 61.4 p -59.7 157.28 28.87 Favored Pre-proline 0 N--CA 1.478 0.931 0 C-N-CA 124.981 1.313 . . . . 0.0 112.185 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -43.41 -52.94 4.64 Favored 'Trans proline' 0 CA--C 1.548 1.21 0 C-N-CA 123.326 2.684 . . . . 0.0 115.286 173.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.88 -21.33 33.08 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.737 2.291 . . . . 0.0 115.851 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -57.14 -39.47 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 120.849 1.659 . . . . 0.0 111.401 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -68.53 -45.23 72.76 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 122.715 0.406 . . . . 0.0 111.38 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.87 -39.47 77.88 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.11 0.964 . . . . 0.0 112.738 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.98 -54.45 26.07 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.427 1.091 . . . . 0.0 111.564 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.425 ' CE2' HD13 ' B' ' 114' ' ' LEU . 8.1 m-85 -58.19 -44.62 88.14 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.411 -0.805 . . . . 0.0 111.904 173.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -54.64 -44.57 73.31 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.043 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -63.61 -49.64 72.53 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 120.022 1.283 . . . . 0.0 113.752 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 8.7 p -62.53 -38.75 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 CA-C-N 119.689 1.132 . . . . 0.0 111.926 177.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.442 HG11 ' CA ' ' B' ' 107' ' ' GLY . 60.8 t -67.06 -39.92 84.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 123.572 0.749 . . . . 0.0 112.334 176.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.37 98.08 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.193 0.906 . . . . 0.0 111.87 175.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.03 -45.21 95.57 Favored Glycine 0 CA--C 1.533 1.158 0 O-C-N 121.791 -0.568 . . . . 0.0 112.535 170.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . 0.428 HG22 ' CE2' ' B' ' 85' ' ' PHE . 1.9 t -55.07 -52.4 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.875 0.87 . . . . 0.0 111.71 170.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.26 92.03 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.523 1.056 . . . . 0.0 112.058 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -57.44 -50.08 74.18 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.683 0.793 . . . . 0.0 111.501 173.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.93 99.14 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 177.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.22 -25.61 65.3 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.404 -1.435 . . . . 0.0 112.849 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.9 -3.63 58.79 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 171.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -49.16 -37.5 22.54 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -168.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -76.1 -3.71 37.53 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 46.9 p90 . . . . . 0 CA--C 1.551 0.999 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 176.339 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.513 2.717 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -146.78 161.28 40.99 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.978 1.311 . . . . 0.0 111.615 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -71.84 155.68 91.86 Favored Pre-proline 0 N--CA 1.481 1.095 0 C-N-CA 123.964 0.906 . . . . 0.0 112.229 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -67.93 -41.0 8.33 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.886 2.39 . . . . 0.0 114.26 -168.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.31 88.77 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.495 0.589 . . . . 0.0 112.015 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -56.7 -49.75 74.19 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.279 0.632 . . . . 0.0 111.032 176.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -55.61 -44.7 77.28 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.475 0.71 . . . . 0.0 110.848 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 85.3 m -59.46 -42.79 92.82 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.193 0.597 . . . . 0.0 111.487 177.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -64.79 -38.86 92.41 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.14 0.882 . . . . 0.0 112.07 174.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 95.6 t -62.29 -49.43 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 118.698 0.681 . . . . 0.0 111.194 173.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.61 -44.21 96.57 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.988 0.813 . . . . 0.0 111.372 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.34 -52.43 65.65 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.355 0.662 . . . . 0.0 111.503 175.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.19 -55.98 28.06 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.522 0.729 . . . . 0.0 112.038 177.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . 0.413 ' CZ3' HG11 ' C' ' 17' ' ' VAL . 20.3 t-105 -63.3 -28.89 70.33 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.47 -0.769 . . . . 0.0 112.899 -176.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.75 -43.63 91.85 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.421 1.01 . . . . 0.0 113.434 169.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -73.69 -31.58 63.51 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 118.576 1.188 . . . . 0.0 111.773 174.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.424 HG12 ' HB2' ' C' ' 21' ' ' ALA . 90.6 t -67.69 -20.95 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.17 1.388 . . . . 0.0 113.327 176.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.6 139.62 2.47 Favored Glycine 0 CA--C 1.542 1.764 0 C-N-CA 124.934 1.254 . . . . 0.0 114.537 175.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 61.57 -35.79 0.11 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 128.308 2.643 . . . . 0.0 116.38 -168.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -75.69 -20.3 58.51 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.632 1.106 . . . . 0.0 113.604 174.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.424 ' HB2' HG12 ' C' ' 17' ' ' VAL . . . -47.45 -45.05 25.45 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.156 1.782 . . . . 0.0 115.095 -171.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.66 -35.56 91.25 Favored Glycine 0 N--CA 1.47 0.95 0 O-C-N 121.438 -0.789 . . . . 0.0 113.561 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -63.85 -46.88 83.0 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.156 0.982 . . . . 0.0 110.308 174.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -60.37 -39.97 89.13 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.481 0.712 . . . . 0.0 112.247 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.82 -48.53 83.34 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 118.694 0.679 . . . . 0.0 112.781 172.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.86 -46.3 89.74 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.187 0.994 . . . . 0.0 112.146 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -62.29 -40.01 94.84 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.581 -0.7 . . . . 0.0 112.64 173.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.423 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -62.77 -39.89 95.61 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.257 0.935 . . . . 0.0 112.408 178.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 56.9 mt -65.49 -49.55 68.61 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.491 1.116 . . . . 0.0 111.865 173.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.35 -43.13 99.39 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.672 -0.643 . . . . 0.0 112.461 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -60.49 -46.66 89.32 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.294 -0.879 . . . . 0.0 111.899 172.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 38.3 ttp -54.24 -48.43 71.14 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.687 1.13 . . . . 0.0 112.03 173.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.93 -52.22 51.58 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.489 1.115 . . . . 0.0 112.99 176.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -85.88 -30.31 23.0 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -173.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 70.0 m -69.45 -28.24 65.94 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.428 1.013 . . . . 0.0 113.498 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -139.26 76.77 31.39 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 124.553 1.141 . . . . 0.0 109.684 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -48.91 -29.2 14.72 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 124.976 3.784 . . . . 0.0 116.891 -169.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 3.9 p -52.79 -35.96 57.52 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.67 1.188 . . . . 0.0 112.872 172.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 62.6 p -56.85 -27.06 59.76 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 176.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -28.78 66.28 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.624 1.102 . . . . 0.0 112.736 174.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.44 -23.12 56.63 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.49 1.116 . . . . 0.0 113.896 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.12 -38.27 79.21 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.011 0.368 . . . . 0.0 111.921 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 28.02 53.48 0.42 Allowed Pre-proline 0 CA--C 1.558 1.282 0 C-N-CA 128.669 2.787 . . . . 0.0 115.257 172.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.01 -57.37 0.16 Allowed 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 122.964 2.443 . . . . 0.0 113.389 -159.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -158.42 27.72 0.24 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.999 1.32 . . . . 0.0 112.693 171.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.78 173.78 11.19 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.938 1.295 . . . . 0.0 113.302 -175.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -141.56 158.41 43.88 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.413 1.485 . . . . 0.0 111.47 -177.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 19.3 mt -121.23 31.35 6.39 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.339 1.055 . . . . 0.0 112.081 -156.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 90.7 p -64.44 17.14 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 128.37 2.668 . . . . 0.0 117.438 -170.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 8.2 t60 69.86 127.89 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 128.731 2.812 . . . . 0.0 113.083 -172.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.78 20.4 75.88 Favored Glycine 0 CA--C 1.54 1.65 0 O-C-N 121.437 -0.79 . . . . 0.0 114.739 -174.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 13.9 t -57.4 125.86 24.71 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.296 1.438 . . . . 0.0 113.263 -176.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.81 -34.98 70.23 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.071 0.949 . . . . 0.0 112.666 173.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -71.12 -39.37 72.07 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.641 -0.662 . . . . 0.0 111.846 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.35 -42.33 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 119.043 0.838 . . . . 0.0 111.409 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -59.1 -49.31 78.35 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.149 0.98 . . . . 0.0 112.028 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.37 -47.01 91.35 Favored Glycine 0 N--CA 1.47 0.93 0 C-N-CA 124.211 0.91 . . . . 0.0 112.885 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -58.47 -40.54 82.99 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.492 -1.005 . . . . 0.0 111.755 172.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.24 -51.24 52.12 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.432 1.015 . . . . 0.0 113.609 171.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -57.03 -37.62 72.02 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 118.456 1.128 . . . . 0.0 113.255 171.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -69.68 -46.24 66.53 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.23 0.923 . . . . 0.0 112.312 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 91.1 t -56.21 -46.22 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 119.383 0.992 . . . . 0.0 110.495 171.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 63' ' ' ALA . . . . . 0.416 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -59.97 -50.31 74.25 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 176.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -60.3 -40.54 90.85 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.795 0.725 . . . . 0.0 112.147 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.86 84.57 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 171.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.95 -45.67 84.78 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.498 -0.763 . . . . 0.0 111.268 170.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 28.6 m -55.72 -45.44 77.93 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 120.127 1.33 . . . . 0.0 112.045 173.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -57.37 -50.05 74.2 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.381 1.472 . . . . 0.0 111.5 172.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.76 77.84 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 174.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.24 -44.97 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 119.581 1.082 . . . . 0.0 110.825 173.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.13 -26.07 68.65 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.508 1.123 . . . . 0.0 113.469 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -130.6 34.67 4.11 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.315 1.446 . . . . 0.0 112.71 -174.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 12.1 p -58.95 -8.46 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -107.83 -2.33 20.03 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.607 1.563 . . . . 0.0 114.871 171.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -140.79 1.78 1.72 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.113 1.765 . . . . 0.0 113.926 -174.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 76' ' ' MET . . . . . 0.457 ' HA ' ' HB3' ' C' ' 79' ' ' ALA 0.31 0.0 OUTLIER -61.74 -19.62 0.55 Allowed Pre-proline 0 CA--C 1.545 0.763 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 -174.962 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -44.18 -32.83 5.28 Favored 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 123.502 2.802 . . . . 0.0 116.278 165.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -102.92 -34.55 8.91 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 172.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 79' ' ' ALA . . . . . 0.457 ' HB3' ' HA ' ' C' ' 76' ' ' MET . . . -63.86 -16.62 61.79 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 59.6 mt -110.16 17.05 21.38 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.488 1.515 . . . . 0.0 112.642 175.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 81.4 p -53.69 -43.16 68.72 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.643 1.111 . . . . 0.0 113.865 -175.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.11 -23.94 62.55 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.895 0.878 . . . . 0.0 113.349 173.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mt -95.34 -32.73 12.82 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.074 -1.016 . . . . 0.0 111.411 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 23.0 t -52.24 -42.78 63.91 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 157.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.73 -39.24 93.46 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.612 -1.305 . . . . 0.0 114.009 171.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.42 -39.3 67.21 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 120.341 1.428 . . . . 0.0 112.24 168.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -86.89 -18.09 31.71 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.52 -35.55 8.28 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -143.82 -54.95 0.37 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -54.13 -40.86 67.76 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 120.767 1.621 . . . . 0.0 113.631 -168.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 mt -136.48 -5.01 2.04 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 171.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 48.61 37.08 8.61 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 126.594 1.958 . . . . 0.0 115.161 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 45.0 t -47.68 124.41 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 126.082 1.753 . . . . 0.0 113.447 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.38 118.29 48.92 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 124.748 1.219 . . . . 0.0 112.605 176.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -46.78 -35.82 18.37 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 125.105 3.87 . . . . 0.0 116.628 -176.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 10.8 p -54.32 -34.83 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 O-C-N 120.981 -1.075 . . . . 0.0 112.901 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -64.07 -33.67 76.28 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.423 -0.798 . . . . 0.0 111.44 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' C' ' 133' ' ' SER . 0.0 OUTLIER -57.72 -44.98 86.36 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 120.969 -1.082 . . . . 0.0 110.482 170.82 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -60.95 -40.0 91.63 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.222 0.609 . . . . 0.0 110.492 -172.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.73 -60.13 3.93 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.365 0.666 . . . . 0.0 110.582 172.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -35.06 70.22 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.103 0.865 . . . . 0.0 112.182 -176.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 42.0 t -56.54 -53.72 54.2 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.062 1.745 . . . . 0.0 112.523 174.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -60.18 -41.52 93.07 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.432 -0.792 . . . . 0.0 111.516 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 104' ' ' CYS . . . . . 0.423 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 77.6 m -66.49 -24.38 66.4 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 27.1 mt -75.38 -48.46 22.83 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.685 1.13 . . . . 0.0 111.406 169.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 32.8 mt -50.51 -43.87 55.91 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.939 0.79 . . . . 0.0 111.777 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.12 -37.54 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 175.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 22.0 p -74.83 -32.08 61.85 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 120.806 1.639 . . . . 0.0 112.07 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.52 -51.5 69.59 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.233 0.924 . . . . 0.0 109.238 165.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.15 -24.3 67.63 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.73 -10.77 21.29 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 174.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -131.4 -36.16 1.29 Allowed 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.7 mp -77.5 156.1 81.1 Favored Pre-proline 0 CA--C 1.559 1.308 0 CA-C-N 119.353 0.979 . . . . 0.0 111.559 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -54.29 -36.22 86.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 124.065 3.177 . . . . 0.0 116.254 -170.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.81 -48.11 0.21 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.468 1.107 . . . . 0.0 111.361 173.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 67.19 -9.25 0.4 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -116.02 6.17 14.04 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -166.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 3.7 p -56.78 158.38 8.83 Favored Pre-proline 0 N--CA 1.47 0.564 0 C-N-CA 123.278 0.631 . . . . 0.0 111.21 -178.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -50.63 -41.83 52.12 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.668 2.245 . . . . 0.0 113.999 172.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.49 -53.28 50.69 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.213 0.46 . . . . 0.0 111.696 174.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 44.5 t -72.5 -48.02 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 O-C-N 121.469 -0.769 . . . . 0.0 112.369 -172.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -41.72 61.77 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.958 1.254 . . . . 0.0 112.984 -175.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.8 -46.54 87.35 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.382 1.446 . . . . 0.0 110.665 174.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 45.8 t -57.19 -61.1 2.71 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 118.986 -0.53 . . . . 0.0 112.119 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.38 -41.69 98.8 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 119.513 1.051 . . . . 0.0 113.551 -175.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.9 -48.19 80.58 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 119.772 1.169 . . . . 0.0 111.357 177.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 127' ' ' LYS . . . . . 0.428 ' HA ' ' HB3' ' C' ' 130' ' ' ALA 0.32 0.0 OUTLIER -83.08 -18.01 41.13 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.957 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -71.76 -46.61 57.87 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.466 1.106 . . . . 0.0 112.082 164.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.42 -33.51 72.61 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 120.416 -1.427 . . . . 0.0 110.842 170.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . 0.428 ' HB3' ' HA ' ' C' ' 127' ' ' LYS . . . -64.17 -41.56 97.07 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 168.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 90.8 p -69.38 -42.56 75.02 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 121.708 2.049 . . . . 0.0 112.743 176.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 75.3 t -53.03 -46.74 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.943 1.297 . . . . 0.0 110.502 167.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 133' ' ' SER . . . . . 0.44 ' HB2' ' CE1' ' C' ' 98' ' ' PHE . 43.1 t -59.52 -51.01 71.69 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 118.146 -0.931 . . . . 0.0 113.106 171.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 47.5 m -50.82 -36.15 35.82 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.457 1.48 . . . . 0.0 112.616 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 54.7 t -72.66 -49.32 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 O-C-N 121.594 -0.691 . . . . 0.0 112.26 170.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.35 -39.11 69.65 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.479 1.036 . . . . 0.0 113.46 175.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 72.8 p -86.8 4.87 39.24 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 125.931 1.692 . . . . 0.0 113.366 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 CA--C 1.546 0.796 0 CA-C-O 121.961 0.886 . . . . 0.0 112.7 170.686 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . 0.413 HG11 ' HA ' ' D' ' 133' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.515 2.792 0 CA-C-O 119.34 -0.362 . . . . 0.0 110.714 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -132.14 74.27 1.57 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.884 1.274 . . . . 0.0 110.663 -171.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.76 157.59 9.27 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 121.301 -0.875 . . . . 0.0 111.016 176.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 5.4 p -63.53 151.9 86.96 Favored Pre-proline 0 N--CA 1.479 1.008 0 CA-C-O 118.553 -0.737 . . . . 0.0 109.306 167.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.63 -37.11 91.08 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.369 2.046 . . . . 0.0 114.017 175.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -70.78 -44.61 66.32 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.303 0.641 . . . . 0.0 112.161 177.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -66.28 -38.44 87.79 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.315 -0.866 . . . . 0.0 111.56 174.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -57.0 -46.36 82.33 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.672 1.123 . . . . 0.0 111.279 172.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 21.6 t -58.33 -45.71 87.58 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.651 0.66 . . . . 0.0 110.912 173.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.76 -49.65 74.65 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 6.5 p -67.86 -50.69 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 CA-C-N 119.36 0.982 . . . . 0.0 112.098 173.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 10.0 m -72.11 -36.06 69.34 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.991 0.814 . . . . 0.0 111.788 -168.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.11 -36.14 74.64 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.762 -1.211 . . . . 0.0 112.219 175.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -69.15 -38.74 78.95 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.334 -0.854 . . . . 0.0 110.608 172.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -55.1 -42.17 72.57 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.678 -0.639 . . . . 0.0 111.742 166.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.41 -26.81 45.75 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 126.636 2.065 . . . . 0.0 116.466 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 -3.62 15.05 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 119.56 1.68 . . . . 0.0 114.51 171.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.51 136.31 20.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 124.277 1.031 . . . . 0.0 111.41 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -90.78 87.62 6.75 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 74.2 t -50.8 -38.96 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -165.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -71.74 -37.58 70.56 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 177.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -80.8 -55.17 4.99 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.091 0.556 . . . . 0.0 110.589 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.33 -32.01 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 121.169 -0.957 . . . . 0.0 112.077 176.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.96 -43.78 32.81 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-N 119.422 1.01 . . . . 0.0 112.105 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.15 -48.14 82.13 Favored Glycine 0 N--CA 1.466 0.69 0 CA-C-N 118.083 0.942 . . . . 0.0 112.604 168.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.8 -28.67 67.79 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 117.837 -1.078 . . . . 0.0 112.802 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.28 -63.9 0.97 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 121.562 1.983 . . . . 0.0 111.175 173.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 23.1 tp -67.67 -35.21 78.43 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.499 -0.751 . . . . 0.0 111.305 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.445 ' O ' HG13 ' D' ' 33' ' ' VAL . . . -52.52 -58.9 9.93 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-O 118.125 -1.375 . . . . 0.0 111.523 163.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' ARG . . . . . 0.431 ' HD2' ' HE2' ' D' ' 116' ' ' HIS . 0.5 OUTLIER -49.98 -43.53 50.37 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.658 1.729 . . . . 0.0 112.533 -179.624 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . 0.433 ' HA ' HG21 ' D' ' 109' ' ' VAL . 16.2 tp -52.02 -51.73 55.48 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.951 1.705 . . . . 0.0 110.559 175.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 mp -83.89 -9.16 58.94 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 117.555 -1.212 . . . . 0.0 113.058 -176.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 33' ' ' VAL . . . . . 0.445 HG13 ' O ' ' D' ' 29' ' ' GLY . 2.0 m -75.2 -26.05 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 121.212 1.824 . . . . 0.0 114.237 167.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.16 8.22 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-N 121.021 1.737 . . . . 0.0 113.752 -176.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 47.66 39.52 0.59 Allowed Pre-proline 0 CA--C 1.559 1.301 0 C-N-CA 126.489 1.916 . . . . 0.0 115.477 -167.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -76.52 160.59 35.03 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.762 1.642 . . . . 0.0 112.241 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 9.5 p90 -54.38 -26.3 29.45 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.726 1.611 . . . . 0.0 113.897 169.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 16.4 p -59.93 -15.94 25.86 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 171.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -52.92 -20.74 3.59 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 166.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -48.11 -29.77 3.92 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 173.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.05 5.14 42.46 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -177.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -55.05 -17.59 4.14 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -175.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -53.71 -31.68 49.03 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.424 1.09 . . . . 0.0 112.617 172.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 74.9 m -83.98 -2.07 55.88 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.224 1.409 . . . . 0.0 114.359 173.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -118.01 -27.04 6.24 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.164 1.386 . . . . 0.0 112.927 -169.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.36 -135.33 13.53 Favored Glycine 0 CA--C 1.534 1.28 0 CA-C-N 120.096 1.316 . . . . 0.0 113.449 175.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -47.12 95.48 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.2 2.2 . . . . 0.0 114.197 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 tt -147.36 -16.73 0.39 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -173.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -58.59 -12.78 4.45 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.675 1.732 . . . . 0.0 115.675 -173.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 35.4 p -136.31 156.83 76.43 Favored Pre-proline 0 N--CA 1.473 0.686 0 C-N-CA 126.484 1.914 . . . . 0.0 111.002 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.66 -41.15 49.49 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.211 2.608 . . . . 0.0 114.888 -172.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.94 -37.24 81.37 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.727 -0.608 . . . . 0.0 112.616 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.34 -53.16 61.42 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.912 0.885 . . . . 0.0 112.347 -175.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -61.9 -27.64 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -175.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 32.5 ttm -84.3 -26.22 28.7 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.48 -31.67 10.21 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 123.892 0.758 . . . . 0.0 114.078 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -39.4 113.83 0.87 Allowed Pre-proline 0 CA--C 1.557 1.25 0 C-N-CA 128.48 2.712 . . . . 0.0 115.173 -177.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.27 -41.95 68.76 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 124.161 3.241 . . . . 0.0 114.781 175.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -65.66 -39.87 91.81 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.008 1.323 . . . . 0.0 111.865 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 69.4 t -64.45 -41.94 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 123.647 0.779 . . . . 0.0 111.288 171.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -63.86 -43.46 96.02 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.78 1.173 . . . . 0.0 112.313 173.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.94 -52.81 61.58 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.433 1.093 . . . . 0.0 112.788 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -63.79 -33.24 75.23 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 120.963 -1.086 . . . . 0.0 111.845 173.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.68 -49.83 67.46 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.712 1.149 . . . . 0.0 113.497 169.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -55.96 -41.37 74.62 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.12 0.96 . . . . 0.0 111.419 169.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -71.11 -47.71 56.53 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 6.5 m -58.49 -40.14 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-N 120.709 1.595 . . . . 0.0 110.696 172.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 2.9 tt -69.86 -33.2 71.94 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.596 -0.69 . . . . 0.0 112.439 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.53 -37.72 83.9 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 125.494 1.521 . . . . 0.0 113.149 167.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.63 -46.72 71.68 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.532 1.166 . . . . 0.0 111.854 170.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . 0.407 ' CD2' HD22 ' D' ' 110' ' ' LEU . 21.6 m-85 -57.43 -38.69 74.77 Favored 'General case' 0 CA--C 1.551 0.99 0 O-C-N 121.062 -1.024 . . . . 0.0 112.513 174.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 79.5 p -78.33 -36.54 46.17 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -57.16 -36.38 70.68 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.446 1.021 . . . . 0.0 110.951 165.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.91 -60.15 9.2 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-O 119.52 -0.6 . . . . 0.0 111.832 166.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mt -53.97 -27.21 29.97 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 176.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.75 -23.04 25.61 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.507 1.523 . . . . 0.0 114.725 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -139.93 38.08 1.97 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.381 1.472 . . . . 0.0 112.592 -169.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 65.6 mt -53.99 -23.26 12.67 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -174.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -64.26 -25.73 68.19 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.788 1.635 . . . . 0.0 114.779 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -157.39 86.66 0.95 Allowed 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.493 1.042 . . . . 0.0 113.059 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.25 -29.33 62.69 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -69.64 -18.43 63.59 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 120.927 -1.108 . . . . 0.0 113.743 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -93.78 -43.22 3.95 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 124.575 1.083 . . . . 0.0 113.422 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 22.6 p -65.36 -31.72 72.99 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 118.617 1.209 . . . . 0.0 112.894 175.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 85' ' ' PHE . . . . . 0.427 ' CE2' HG22 ' D' ' 137' ' ' VAL . 14.4 m-85 -105.8 12.25 31.04 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -176.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.12 -41.59 65.18 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 121.243 1.838 . . . . 0.0 113.421 -177.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 22.0 p -66.12 -41.61 90.28 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.15 1.38 . . . . 0.0 112.812 173.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 44.3 mt -68.68 -35.86 77.76 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.564 0.745 . . . . 0.0 111.764 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 5.5 t -63.62 -45.89 88.24 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 124.423 1.089 . . . . 0.0 110.054 172.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -56.98 -48.69 77.82 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.065 -1.022 . . . . 0.0 112.184 171.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 51.4 tp -52.82 -56.12 18.08 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.997 0.817 . . . . 0.0 110.724 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -76.44 18.87 0.28 Allowed 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 84.0 m -135.66 -76.18 0.44 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.771 1.228 . . . . 0.0 110.902 171.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.37 -29.87 70.18 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.416 1.486 . . . . 0.0 113.872 -175.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -102.19 -39.69 7.13 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.071 0.949 . . . . 0.0 111.931 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . 0.414 ' C ' ' H ' ' D' ' 98' ' ' VAL . 0.0 OUTLIER -142.31 79.17 1.65 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.795 1.638 . . . . 0.0 110.444 -176.054 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -67.25 30.12 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 125.635 1.574 . . . . 0.0 113.735 172.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 98' ' ' VAL . . . . . 0.414 ' H ' ' C ' ' D' ' 96' ' ' LEU . 77.6 t -41.2 137.27 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 129.295 3.038 . . . . 0.0 111.759 175.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -61.77 141.47 95.15 Favored Pre-proline 0 CA--C 1.554 1.125 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -173.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -63.89 -28.23 67.14 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.003 2.469 . . . . 0.0 114.626 -169.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -56.68 -37.23 70.56 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.058 -1.026 . . . . 0.0 112.058 173.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -59.16 -37.29 76.99 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.47 -0.769 . . . . 0.0 111.824 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -69.29 -45.96 68.35 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.892 0.877 . . . . 0.0 111.241 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -59.13 -42.39 90.53 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.906 0.482 . . . . 0.0 111.266 175.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.79 -43.85 98.02 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.835 0.854 . . . . 0.0 113.052 173.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 2.6 tt -61.28 -31.03 70.85 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.403 1.456 . . . . 0.0 111.757 170.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 107' ' ' GLY . . . . . 0.443 ' CA ' HG11 ' D' ' 134' ' ' VAL . . . -64.96 -55.35 22.53 Favored Glycine 0 CA--C 1.526 0.728 0 O-C-N 120.174 -1.579 . . . . 0.0 114.683 170.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -59.26 -21.18 59.22 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.734 -0.862 . . . . 0.0 112.308 171.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 109' ' ' VAL . . . . . 0.433 HG21 ' HA ' ' D' ' 31' ' ' LEU . 10.9 t -65.68 -56.19 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 O-C-N 119.932 -1.73 . . . . 0.0 112.245 166.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . 0.407 HD22 ' CD2' ' D' ' 71' ' ' PHE . 59.4 tp -53.0 -51.15 62.57 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 119.164 0.893 . . . . 0.0 111.542 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 m -56.5 -37.24 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.305 -175.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 35.4 m -77.54 -37.62 50.42 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-O 117.193 -1.384 . . . . 0.0 112.896 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 113' ' ' VAL . . . . . 0.561 ' HA ' ' CD2' ' D' ' 116' ' ' HIS . 6.0 p -60.67 -32.69 52.38 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 CA-C-N 121.89 2.132 . . . . 0.0 112.789 173.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 114' ' ' LEU . . . . . 0.427 HD13 ' CE2' ' D' ' 130' ' ' TYR . 28.0 mt -62.24 -40.57 96.6 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.647 -0.658 . . . . 0.0 110.995 171.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 115' ' ' ALA . . . . . 0.403 ' HB2' ' CD2' ' D' ' 122' ' ' PHE . . . -65.39 -35.85 82.19 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.445 0.905 . . . . 0.0 113.445 169.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 116' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' D' ' 113' ' ' VAL . 6.8 m-70 -66.42 -32.86 74.51 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.081 0.953 . . . . 0.0 111.959 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -91.63 -37.61 12.96 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.719 0.808 . . . . 0.0 112.698 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -121.73 35.81 4.79 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.742 1.217 . . . . 0.0 113.18 -169.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -43.26 -47.55 6.75 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 126.064 1.792 . . . . 0.0 116.813 -173.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -23.22 67.3 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 178.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.13 -3.31 21.61 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.22 1.808 . . . . 0.0 112.106 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 122' ' ' PHE . . . . . 0.403 ' CD2' ' HB2' ' D' ' 115' ' ' ALA . 17.3 t80 -78.86 64.51 3.84 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.13 1.372 . . . . 0.0 111.911 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 60.0 p -59.44 157.38 25.62 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 125.09 1.356 . . . . 0.0 112.126 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -43.87 -52.67 5.22 Favored 'Trans proline' 0 CA--C 1.547 1.17 0 C-N-CA 123.247 2.631 . . . . 0.0 115.225 173.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -69.94 -21.57 32.47 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.794 2.329 . . . . 0.0 115.662 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 1.1 t -56.77 -39.49 64.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 120.997 1.726 . . . . 0.0 111.581 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -68.59 -45.31 72.35 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 122.737 0.415 . . . . 0.0 111.348 176.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.3 77.78 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.002 0.921 . . . . 0.0 112.663 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.13 -54.4 26.01 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.391 1.076 . . . . 0.0 111.566 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 130' ' ' TYR . . . . . 0.427 ' CE2' HD13 ' D' ' 114' ' ' LEU . 8.0 m-85 -58.24 -44.64 88.37 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.487 -0.758 . . . . 0.0 111.837 173.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -54.55 -44.54 72.97 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.563 -0.732 . . . . 0.0 112.157 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -63.59 -49.7 72.34 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.965 1.257 . . . . 0.0 113.711 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . 0.413 ' HA ' HG11 ' D' ' 1' ' ' VAL . 8.9 p -62.44 -38.82 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-N 119.667 1.121 . . . . 0.0 111.914 177.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 134' ' ' VAL . . . . . 0.443 HG11 ' CA ' ' D' ' 107' ' ' GLY . 61.6 t -67.13 -39.86 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 123.466 0.706 . . . . 0.0 112.349 176.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.62 -41.36 98.29 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.366 0.985 . . . . 0.0 111.909 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.21 -45.21 95.7 Favored Glycine 0 CA--C 1.533 1.176 0 O-C-N 121.915 -0.491 . . . . 0.0 112.534 170.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 137' ' ' VAL . . . . . 0.427 HG22 ' CE2' ' D' ' 85' ' ' PHE . 1.9 t -54.83 -52.64 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.883 0.873 . . . . 0.0 111.73 170.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.4 91.1 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.577 1.081 . . . . 0.0 112.183 -178.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -57.35 -50.11 74.01 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.71 0.804 . . . . 0.0 111.492 172.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.89 99.09 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 13.9 mt -68.18 -25.6 65.33 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.282 -1.512 . . . . 0.0 112.827 175.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.93 -3.5 58.75 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 171.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -49.34 -37.49 24.73 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -168.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -75.99 -3.71 37.14 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -142.14 3.25 1.56 Allowed 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.259 1.554 0 C-N-CA 126.383 1.873 . . . . 0.0 115.652 -175.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.509 2.493 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.8 mt -136.19 -179.13 5.49 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.739 1.616 . . . . 0.0 111.276 -173.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -112.47 166.09 11.7 Favored Pre-proline 0 N--CA 1.479 1.008 0 C-N-CA 126.097 1.759 . . . . 0.0 110.54 -172.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -78.62 -42.55 0.2 Allowed 'Trans proline' 0 CA--C 1.538 0.694 0 CA-C-N 121.583 1.601 . . . . 0.0 113.134 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.27 -33.48 75.4 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.05 -43.22 81.77 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.18 0.446 . . . . 0.0 110.964 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -55.95 -48.79 75.12 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.45 1.1 . . . . 0.0 110.954 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -56.83 -44.78 82.39 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.639 0.776 . . . . 0.0 111.437 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -67.89 -39.44 83.64 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.691 0.678 . . . . 0.0 112.482 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.7 t -61.99 -51.61 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.716 0.806 . . . . 0.0 110.654 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -60.44 -42.81 96.86 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.748 0.704 . . . . 0.0 111.179 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.9 -50.25 73.98 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.207 0.603 . . . . 0.0 111.685 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.35 -54.17 44.36 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.549 0.613 . . . . 0.0 111.975 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -63.01 -26.32 68.8 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -176.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.83 -38.56 94.19 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.445 1.022 . . . . 0.0 113.78 168.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.2 mmtt -73.72 -33.07 64.2 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 118.088 0.944 . . . . 0.0 111.673 173.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.437 HG13 ' CD2' ' A' ' 24' ' ' TYR . 99.9 t -68.85 -24.78 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.539 1.536 . . . . 0.0 113.092 176.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.77 125.41 1.75 Allowed Glycine 0 CA--C 1.541 1.69 0 C-N-CA 125.133 1.349 . . . . 0.0 114.13 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 77.33 -38.68 0.29 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 128.997 2.919 . . . . 0.0 114.655 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -74.77 -17.66 60.6 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.152 0.981 . . . . 0.0 113.152 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' HB2' HG12 ' A' ' 17' ' ' VAL . . . -44.85 -49.75 10.69 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.155 2.182 . . . . 0.0 114.754 -172.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.41 -37.44 94.82 Favored Glycine 0 N--CA 1.469 0.865 0 O-C-N 121.957 -0.464 . . . . 0.0 113.594 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -41.94 83.74 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.709 0.804 . . . . 0.0 111.067 175.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.437 ' CD2' HG13 ' A' ' 17' ' ' VAL . 14.8 m-30 -63.91 -39.6 94.55 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.276 0.943 . . . . 0.0 112.233 174.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.39 -59.16 11.35 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 123.708 0.67 . . . . 0.0 111.607 170.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.63 -52.3 40.85 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.466 1.506 . . . . 0.0 112.716 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.16 -38.16 79.06 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.961 1.304 . . . . 0.0 112.398 175.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.28 82.34 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.188 0.904 . . . . 0.0 112.307 177.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 mt -62.61 -47.92 81.67 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.324 0.511 . . . . 0.0 110.286 170.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -46.93 87.46 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.415 0.686 . . . . 0.0 111.131 -177.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -54.81 -50.73 67.84 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.877 1.271 . . . . 0.0 111.397 169.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 49.8 ttp -57.14 -44.29 83.25 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.513 1.052 . . . . 0.0 112.084 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.79 -23.08 65.98 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.7 mt -98.32 -40.97 8.07 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.867 0.867 . . . . 0.0 110.7 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.9 m -77.29 -18.75 57.28 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.881 2.073 . . . . 0.0 113.588 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -140.38 80.54 19.1 Favored Pre-proline 0 CA--C 1.537 0.471 0 C-N-CA 126.003 1.721 . . . . 0.0 108.849 174.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -45.91 -26.53 3.43 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 124.434 3.423 . . . . 0.0 114.36 174.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.607 ' O ' HG22 ' A' ' 41' ' ' THR . 41.7 m -41.16 -29.4 0.12 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.292 2.237 . . . . 0.0 115.991 164.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.8 p -80.99 -25.56 37.19 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 122.908 2.594 . . . . 0.0 113.926 175.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -56.71 -35.05 68.08 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 119.975 1.262 . . . . 0.0 111.753 168.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 38' ' ' THR . 0.6 OUTLIER -62.82 -19.47 64.1 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 175.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.35 0.72 3.58 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.029 -1.045 . . . . 0.0 113.632 171.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.7 t80 59.8 60.29 4.34 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 125.653 1.581 . . . . 0.0 112.373 171.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -59.22 136.96 76.03 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 124.006 3.137 . . . . 0.0 113.307 -167.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -78.16 13.99 1.3 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.796 1.238 . . . . 0.0 113.777 175.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -139.56 151.83 46.39 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.885 1.674 . . . . 0.0 111.406 -173.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -83.05 146.97 28.42 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.294 0.638 . . . . 0.0 111.324 169.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.8 28.34 1.16 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.972 0.909 . . . . 0.0 113.429 -172.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.5 p -62.62 -56.81 14.35 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.247 1.019 . . . . 0.0 112.667 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -163.86 141.08 7.04 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.259 1.824 . . . . 0.0 110.863 172.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.77 25.64 59.19 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 116.44 1.336 . . . . 0.0 116.44 168.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.9 t -55.79 133.42 51.04 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.177 1.391 . . . . 0.0 114.338 -170.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.43 -27.14 65.79 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.197 1.399 . . . . 0.0 113.513 172.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -84.72 -40.49 17.26 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.4 0.68 . . . . 0.0 111.341 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.7 t -65.19 -41.03 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-O 118.639 -0.696 . . . . 0.0 112.095 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -61.47 -40.34 94.19 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 119.908 1.231 . . . . 0.0 112.942 174.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.38 -52.42 31.21 Favored Glycine 0 N--CA 1.472 1.063 0 C-N-CA 124.354 0.978 . . . . 0.0 112.222 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.26 -40.8 74.78 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.039 0.935 . . . . 0.0 111.941 173.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.49 -49.51 68.79 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 124.036 0.826 . . . . 0.0 113.328 172.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -55.49 -41.72 73.44 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.533 1.166 . . . . 0.0 112.262 171.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -61.38 -50.88 71.11 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.316 0.962 . . . . 0.0 112.166 175.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.4 t -57.7 -42.45 81.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 CA-C-N 119.326 0.967 . . . . 0.0 110.92 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.416 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -62.7 -47.23 84.55 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 176.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -61.18 -38.38 86.33 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.377 0.99 . . . . 0.0 111.929 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.0 99.9 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.742 -0.599 . . . . 0.0 112.422 171.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.57 -45.09 92.86 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.302 170.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.0 m -56.11 -45.41 79.48 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.761 1.164 . . . . 0.0 111.722 172.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -27.72 67.13 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 120.344 1.429 . . . . 0.0 112.769 176.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.01 -45.9 69.34 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.244 0.929 . . . . 0.0 111.413 169.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.8 t -59.73 -46.83 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 119.808 1.186 . . . . 0.0 111.368 174.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.81 -26.13 67.92 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.86 1.264 . . . . 0.0 113.949 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -130.66 32.71 4.35 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.858 1.263 . . . . 0.0 111.002 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.7 p -60.78 -20.96 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -164.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.43 6.59 26.39 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 119.752 1.16 . . . . 0.0 113.359 170.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -141.26 29.32 1.81 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 128.031 2.533 . . . . 0.0 110.832 -165.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -112.81 40.07 0.21 Allowed Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 125.243 1.417 . . . . 0.0 114.587 -175.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -64.7 -29.05 60.13 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 CA-C-N 122.935 2.084 . . . . 0.0 113.257 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -130.25 -0.3 4.58 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.86 -16.18 63.7 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.115 -1.615 . . . . 0.0 114.344 -174.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.8 mt -104.1 13.52 32.3 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.966 1.306 . . . . 0.0 111.835 169.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.6 t -57.93 -41.99 83.9 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 119.948 1.249 . . . . 0.0 112.208 -172.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.25 -27.21 44.81 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 172.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.2 mt -87.82 -38.46 15.69 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.427 1.091 . . . . 0.0 110.517 -178.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.7 p -64.61 -33.75 76.67 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 168.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -62.01 -48.11 81.78 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.955 1.302 . . . . 0.0 110.779 170.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.6 tp -53.33 -44.47 68.48 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 121.284 -0.885 . . . . 0.0 112.033 169.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -76.88 18.03 0.38 Allowed 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 125.711 1.604 . . . . 0.0 114.105 175.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.34 -46.08 0.17 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -176.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -59.15 -35.29 73.24 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.61 1.164 . . . . 0.0 111.571 172.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -144.56 -172.05 3.73 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 128.672 2.789 . . . . 0.0 109.114 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 82.3 mt 27.1 73.31 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.077 2.151 . . . . 0.0 114.208 167.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -38.57 -54.62 1.51 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.209 1.403 . . . . 0.0 112.714 -177.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 98.6 t 48.06 71.82 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 122.809 1.29 . . . . 0.0 111.13 176.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -58.7 147.21 71.99 Favored Pre-proline 0 CA--C 1.544 0.743 0 O-C-N 120.725 -1.234 . . . . 0.0 112.313 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.81 -24.52 31.16 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 123.531 2.821 . . . . 0.0 115.197 -168.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 18.1 t -39.53 -52.28 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.996 1.318 . . . . 0.0 112.036 165.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -57.29 -39.95 76.81 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -40.11 78.98 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.959 178.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -61.2 -42.08 97.95 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.551 0.614 . . . . 0.0 110.044 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.42 ' HG ' ' H ' ' A' ' 100' ' ' LEU . 1.8 mt -59.06 -55.96 28.4 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.333 1.053 . . . . 0.0 109.245 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -34.02 72.02 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 122.803 0.441 . . . . 0.0 112.07 176.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.8 m -68.79 -39.18 80.28 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.937 -1.102 . . . . 0.0 113.471 176.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -59.4 -44.2 92.87 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.322 -0.861 . . . . 0.0 110.407 167.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 73.2 m -63.11 -32.36 73.73 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 174.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.7 mt -69.99 -48.62 57.45 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.646 1.178 . . . . 0.0 111.728 170.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.0 mt -53.18 -41.71 65.51 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.357 -0.839 . . . . 0.0 110.308 174.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 27.1 t -58.22 -48.58 84.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.033 0.933 . . . . 0.0 113.168 171.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.2 p -67.72 -35.28 78.48 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 120.266 1.394 . . . . 0.0 112.454 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.05 -48.37 82.0 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.59 0.632 . . . . 0.0 110.119 171.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.2 68.9 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.25 -6.63 10.11 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 176.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -139.04 -44.9 0.47 Allowed 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.792 1.178 . . . . 0.0 114.079 -175.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.8 mp -78.0 141.8 63.69 Favored Pre-proline 0 CA--C 1.559 1.297 0 CA-C-O 116.482 -1.723 . . . . 0.0 108.004 169.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -54.14 -122.5 0.0 OUTLIER 'Trans proline' 0 CA--C 1.555 1.547 1 C-N-CA 126.677 4.918 . . . . 0.0 117.446 -177.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.34 54.31 0.05 Allowed 'General case' 0 CA--C 1.543 0.696 0 O-C-N 118.98 -2.325 . . . . 0.0 110.465 159.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.31 -19.7 9.35 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.511 -1.368 . . . . 0.0 112.768 -178.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.76 37.81 1.27 Allowed 'General case' 0 N--CA 1.434 -1.234 0 C-N-CA 126.308 1.843 . . . . 0.0 113.231 176.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 p -53.67 160.03 2.23 Favored Pre-proline 0 N--CA 1.475 0.797 0 O-C-N 120.948 -1.095 . . . . 0.0 110.19 169.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -47.25 -44.94 23.26 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.097 1.865 . . . . 0.0 115.106 169.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.16 -54.33 35.47 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.497 0.59 . . . . 0.0 110.931 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.0 t -76.89 -34.09 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.401 -0.812 . . . . 0.0 112.935 -168.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -73.43 -48.75 31.26 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.971 1.308 . . . . 0.0 112.349 175.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.15 -47.94 79.93 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 118.791 0.723 . . . . 0.0 109.687 173.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.0 t -53.92 -61.81 2.06 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 123.959 0.904 . . . . 0.0 112.51 174.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 59.2 mt -60.66 -42.83 97.82 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.964 1.256 . . . . 0.0 112.049 -175.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.86 -43.21 93.71 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 120.123 1.329 . . . . 0.0 112.175 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -30.12 61.9 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.301 0.955 . . . . 0.0 113.172 177.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -61.46 -58.93 6.19 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 124.718 1.207 . . . . 0.0 109.923 169.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.25 -42.79 70.32 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.506 0.722 . . . . 0.0 110.756 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.57 -42.69 75.07 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.051 1.296 . . . . 0.0 112.664 173.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.7 m -70.4 -32.22 69.77 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 171.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 83.3 t -55.2 -50.3 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 120.237 1.38 . . . . 0.0 108.831 167.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.5 t -58.37 -49.02 78.73 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.103 0.961 . . . . 0.0 113.278 174.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 96.7 m -51.37 -46.01 62.63 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.067 0.849 . . . . 0.0 110.695 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 79.9 t -68.16 -41.67 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 O-C-N 121.47 -0.769 . . . . 0.0 112.194 174.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -6.21 3.32 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 120.395 -1.441 . . . . 0.0 113.15 171.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 61.8 m -116.42 -20.78 9.55 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.995 2.118 . . . . 0.0 112.047 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.474 0.74 0 C-N-CA 125.182 1.393 . . . . 0.0 112.006 -172.908 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.289 2.5 p . . . . . 0 N--CA 1.515 2.816 0 CA-C-O 117.498 -1.239 . . . . 0.0 113.209 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 9.19 75.08 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 129.191 2.996 . . . . 0.0 116.263 -172.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.85 154.32 34.01 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.846 -0.534 . . . . 0.0 112.013 -170.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.44 145.74 96.93 Favored Pre-proline 0 N--CA 1.482 1.169 0 CA-C-O 118.133 -0.937 . . . . 0.0 109.76 168.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -52.22 -39.55 71.5 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 123.466 2.777 . . . . 0.0 115.943 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.73 -41.27 79.22 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.026 0.83 . . . . 0.0 111.828 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -67.61 -42.99 81.52 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 118.807 -0.616 . . . . 0.0 111.001 176.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -53.95 -53.85 47.07 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.271 1.029 . . . . 0.0 110.82 168.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.5 t -53.58 -46.11 70.22 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.412 0.551 . . . . 0.0 111.442 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.02 -53.28 60.22 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 175.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -63.71 -49.05 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 119.914 1.234 . . . . 0.0 111.839 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -71.47 -34.68 70.42 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.787 1.176 . . . . 0.0 112.377 -173.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.29 -39.42 85.98 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 120.097 1.317 . . . . 0.0 112.193 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tt -73.04 -26.87 61.45 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.525 -0.734 . . . . 0.0 111.297 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -63.62 -43.18 97.62 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.1 -1.0 . . . . 0.0 111.894 162.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.56 -31.78 45.02 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.726 1.631 . . . . 0.0 115.261 -178.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -96.35 -9.36 30.25 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 174.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.1 142.25 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 124.235 1.014 . . . . 0.0 112.046 -171.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -90.99 76.14 6.25 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.34 1.056 . . . . 0.0 109.852 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 85.3 t -47.83 -40.07 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 -163.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -68.41 -49.2 61.75 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.65 1.114 . . . . 0.0 112.712 173.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.02 -51.25 14.05 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.511 0.724 . . . . 0.0 111.023 -173.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.56 -31.33 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.663 1.185 . . . . 0.0 111.564 176.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.02 -42.87 35.61 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 118.965 0.802 . . . . 0.0 111.668 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.38 -44.48 96.77 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 117.808 0.804 . . . . 0.0 112.774 172.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.4 -48.87 79.9 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 123.494 0.717 . . . . 0.0 111.244 170.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.73 -56.18 25.48 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.755 1.616 . . . . 0.0 112.418 177.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 56.8 tp -67.06 -40.35 87.07 Favored 'General case' 0 C--O 1.225 -0.219 0 O-C-N 121.401 -0.812 . . . . 0.0 111.662 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.28 -50.18 70.59 Favored Glycine 0 C--N 1.333 0.394 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 173.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -52.68 -35.95 56.18 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.991 1.316 . . . . 0.0 113.805 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 18.1 tp -52.58 -41.93 64.06 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.058 1.299 . . . . 0.0 109.816 174.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -88.53 -28.87 20.49 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 117.993 -1.004 . . . . 0.0 111.67 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 4.7 m -56.84 -25.82 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 CA-C-N 121.152 1.796 . . . . 0.0 113.659 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -2.54 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-N 119.416 1.007 . . . . 0.0 113.266 175.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 t80 54.71 35.75 0.3 Allowed Pre-proline 0 CA--C 1.561 1.378 0 C-N-CA 126.221 1.808 . . . . 0.0 115.038 -169.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -78.79 172.85 14.43 Favored 'Trans proline' 0 C--N 1.36 1.132 0 C-N-CA 122.975 2.45 . . . . 0.0 112.008 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 8.3 p90 -56.6 -29.94 62.67 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 172.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.99 -23.92 62.28 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.947 -1.095 . . . . 0.0 113.461 171.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -57.96 -26.83 62.82 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.047 -1.033 . . . . 0.0 112.826 171.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -64.41 -13.57 51.84 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.64 15.16 18.84 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 119.288 0.949 . . . . 0.0 113.432 172.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -53.64 -27.8 29.29 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -176.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -47.92 -37.43 14.29 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.851 1.26 . . . . 0.0 113.757 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 19.3 m -65.52 -21.64 66.63 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 178.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -109.96 -8.76 14.81 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.855 1.662 . . . . 0.0 112.174 175.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.0 -160.75 6.9 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 124.494 1.045 . . . . 0.0 113.79 -171.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 39.02 -122.73 0.32 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.43 1.892 . . . . 0.0 112.737 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 8.7 tt 58.63 -10.38 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.994 2.117 . . . . 0.0 116.6 -177.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 11.9 m -51.32 -19.49 1.31 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.021 1.728 . . . . 0.0 115.597 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 61.3 p -134.24 158.99 74.02 Favored Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 125.564 1.546 . . . . 0.0 111.257 166.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -56.03 -42.53 65.7 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 123.601 2.867 . . . . 0.0 114.712 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.15 -36.6 84.57 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.123 0.569 . . . . 0.0 111.65 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.38 93.78 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.86 -31.99 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 CA-C-N 120.991 1.723 . . . . 0.0 113.431 -175.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 16.3 ptp -92.49 -18.19 23.52 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.18 -31.42 17.05 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 123.792 0.71 . . . . 0.0 114.581 171.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -59.3 125.3 78.54 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 125.268 1.427 . . . . 0.0 113.356 -173.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -64.49 -30.4 61.74 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.786 2.324 . . . . 0.0 113.825 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -69.04 -36.32 77.59 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.479 1.036 . . . . 0.0 112.799 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 76.8 t -65.06 -40.27 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.765 1.226 . . . . 0.0 110.988 166.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -62.46 -45.7 91.84 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 120.151 1.341 . . . . 0.0 111.954 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.07 -50.01 72.27 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.906 1.283 . . . . 0.0 113.412 176.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -62.02 -37.05 83.43 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.991 -1.068 . . . . 0.0 112.06 172.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.63 -48.74 64.21 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 124.733 1.159 . . . . 0.0 112.412 169.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -54.79 -43.55 72.96 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.842 1.657 . . . . 0.0 111.742 172.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -66.32 -55.57 15.34 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.39 1.076 . . . . 0.0 113.397 174.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 4.3 m -60.09 -39.99 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 120.855 1.661 . . . . 0.0 112.108 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.7 tt -69.67 -40.27 76.53 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.631 -0.668 . . . . 0.0 111.013 175.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.38 -36.6 84.63 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.996 1.284 . . . . 0.0 113.796 173.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.81 -49.71 67.29 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.366 1.083 . . . . 0.0 111.908 168.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -54.65 -40.65 69.23 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 174.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 84.4 p -71.17 -34.32 70.85 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 120.81 -1.182 . . . . 0.0 113.473 173.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.36 -28.4 65.08 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.129 0.877 . . . . 0.0 112.034 166.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.81 -63.9 4.85 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 124.169 0.89 . . . . 0.0 111.858 164.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.54 -34.42 36.37 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 118.53 1.165 . . . . 0.0 113.566 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.94 -18.48 58.24 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.22 39.33 1.0 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.274 1.43 . . . . 0.0 112.991 -170.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 70.2 mt -57.14 -21.53 33.32 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.663 -1.273 . . . . 0.0 114.171 -178.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -65.7 -11.49 45.66 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.236 2.214 . . . . 0.0 115.561 174.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -113.94 -60.34 1.9 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.877 1.217 . . . . 0.0 113.804 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 53.23 9.26 0.14 Allowed 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 118.627 2.825 . . . . 0.0 118.627 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -133.34 -61.44 0.82 Allowed 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 120.205 1.366 . . . . 0.0 111.815 171.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.23 -39.92 82.98 Favored Glycine 0 N--CA 1.478 1.493 0 CA-C-N 118.926 0.785 . . . . 0.0 114.64 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.4 t -66.58 -14.95 63.04 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 175.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -122.85 -1.1 8.94 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.811 1.644 . . . . 0.0 114.693 -176.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.91 -33.15 71.48 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 120.906 1.684 . . . . 0.0 114.506 -171.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 19.4 p -64.72 -40.96 96.22 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.189 -0.945 . . . . 0.0 112.009 170.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 18.9 mt -73.45 -39.46 64.94 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-O 118.317 -0.849 . . . . 0.0 112.127 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 83.7 p -64.59 -38.38 90.81 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 120.221 1.373 . . . . 0.0 111.569 175.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -65.32 -44.85 86.52 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.054 0.542 . . . . 0.0 112.167 172.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 51.6 tp -55.49 -56.46 19.98 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.261 -0.899 . . . . 0.0 110.913 171.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -77.0 30.09 0.13 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.124 1.77 . . . . 0.0 113.653 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . 0.536 ' SG ' HG21 ' C' ' 41' ' ' THR . 3.8 t -149.85 -80.64 0.12 Allowed 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.848 0.859 . . . . 0.0 108.848 169.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.92 -17.17 49.49 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.762 2.025 . . . . 0.0 115.732 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -112.93 -35.74 5.34 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.267 1.427 . . . . 0.0 112.137 171.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 13.3 mt -133.5 84.95 2.17 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.081 2.152 . . . . 0.0 108.136 -174.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -33.08 61.01 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -173.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 59.8 t 19.52 96.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 129.083 2.953 . . . . 0.0 114.968 160.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -55.12 132.64 68.6 Favored Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -176.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -53.18 -19.81 13.03 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 124.506 3.471 . . . . 0.0 118.094 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -52.65 -33.41 46.85 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 120.73 -1.231 . . . . 0.0 112.017 166.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.92 -38.52 88.74 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.977 -1.077 . . . . 0.0 112.095 172.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -68.43 -42.72 78.48 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.903 0.881 . . . . 0.0 110.595 176.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -57.64 -49.89 74.95 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.726 0.81 . . . . 0.0 110.66 172.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 84.5 mt -57.82 -50.81 72.03 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 118.354 -0.832 . . . . 0.0 112.279 175.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 tt -55.67 -36.05 66.67 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 120.173 1.351 . . . . 0.0 110.909 173.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' GLY . . . . . 0.474 ' CA ' HG11 ' B' ' 134' ' ' VAL . . . -67.33 -54.02 22.36 Favored Glycine 0 CA--C 1.519 0.302 0 O-C-N 120.921 -1.112 . . . . 0.0 114.975 176.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -55.67 -35.2 65.72 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.395 1.097 . . . . 0.0 110.14 171.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 t -65.49 -41.15 90.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-O 117.585 -1.197 . . . . 0.0 113.127 173.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 66.2 tp -58.97 -53.46 58.17 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 121.543 1.974 . . . . 0.0 111.129 176.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.471 HG12 ' HB3' ' B' ' 130' ' ' TYR . 1.3 m -55.44 -37.77 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -171.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 48.7 t -77.02 -27.72 54.68 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -172.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 p -68.68 -38.87 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 O-C-N 119.991 -1.693 . . . . 0.0 110.819 170.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.21 -37.11 81.82 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.713 0.688 . . . . 0.0 110.653 171.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . 0.42 ' HB2' ' CE2' ' B' ' 122' ' ' PHE . . . -59.8 -27.14 66.33 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 170.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -75.23 -61.67 1.82 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 120.571 1.532 . . . . 0.0 111.744 167.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -63.64 -24.06 67.64 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -169.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -132.36 24.01 4.45 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.322 1.449 . . . . 0.0 111.999 -174.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -46.02 -41.01 10.39 Favored Glycine 0 N--CA 1.475 1.293 0 C-N-CA 125.688 1.613 . . . . 0.0 116.09 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -63.55 -22.06 66.68 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -105.37 -2.51 23.78 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.383 1.873 . . . . 0.0 112.61 174.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . 0.42 ' CE2' ' HB2' ' B' ' 115' ' ' ALA . 6.1 t80 -86.45 58.27 4.96 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.776 -1.202 . . . . 0.0 113.114 -169.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 32.1 p -53.45 157.9 3.22 Favored Pre-proline 0 N--CA 1.481 1.097 0 C-N-CA 126.228 1.811 . . . . 0.0 113.773 -174.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -47.54 -49.9 12.45 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.508 2.139 . . . . 0.0 115.218 170.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.39 -27.0 40.57 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 121.336 1.357 . . . . 0.0 114.418 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.8 -40.01 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 122.091 2.223 . . . . 0.0 111.903 176.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -60.35 -42.15 95.15 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.894 0.77 . . . . 0.0 111.198 176.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.8 -32.07 73.11 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.98 -51.96 53.7 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.472 -0.767 . . . . 0.0 110.398 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.471 ' HB3' HG12 ' B' ' 111' ' ' VAL . 47.6 m-85 -52.03 -48.75 64.4 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.41 0.55 . . . . 0.0 111.276 169.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 15.1 tm0? -54.4 -46.47 73.14 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 118.166 -0.921 . . . . 0.0 112.736 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -63.36 -41.78 98.84 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.792 1.633 . . . . 0.0 113.232 -176.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 1.6 p -73.8 -38.75 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 119.154 0.888 . . . . 0.0 112.215 174.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.474 HG11 ' CA ' ' B' ' 107' ' ' GLY . 88.8 t -72.19 -34.84 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 118.805 0.729 . . . . 0.0 112.453 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.08 93.16 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 120.956 -1.09 . . . . 0.0 111.476 167.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -53.07 -52.98 36.38 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-O 119.69 -0.505 . . . . 0.0 112.349 166.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.0 -42.84 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 118.391 1.096 . . . . 0.0 112.388 175.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.92 -47.69 83.8 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.439 -0.788 . . . . 0.0 111.664 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.3 -31.97 73.38 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.75 -0.594 . . . . 0.0 112.073 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.18 -48.67 64.64 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.733 0.813 . . . . 0.0 111.382 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.12 -34.49 75.05 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.433 -0.792 . . . . 0.0 111.569 173.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.23 -4.29 24.9 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 172.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -57.67 -43.08 84.75 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 121.249 1.84 . . . . 0.0 113.363 -176.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -73.97 2.06 9.51 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.806 1.242 . . . . 0.0 113.664 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.553 1.063 0 C-N-CA 128.018 2.527 . . . . 0.0 111.891 -176.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.25 5.3 p . . . . . 0 N--CA 1.51 2.55 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 21.1 mt -136.28 -179.21 5.54 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.865 1.666 . . . . 0.0 111.256 -173.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -112.42 165.98 11.91 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 126.104 1.762 . . . . 0.0 110.475 -172.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -78.62 -42.48 0.21 Allowed 'Trans proline' 0 CA--C 1.538 0.71 0 CA-C-N 121.537 1.585 . . . . 0.0 113.107 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.31 -33.44 75.29 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.624 -0.673 . . . . 0.0 112.758 -177.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.05 -43.27 81.83 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 118.204 0.456 . . . . 0.0 110.985 177.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -55.86 -48.78 74.93 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.523 1.129 . . . . 0.0 111.013 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 98.1 m -56.83 -44.83 82.47 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.685 0.794 . . . . 0.0 111.5 177.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -67.99 -39.43 83.25 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.589 -0.694 . . . . 0.0 112.327 177.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 87.8 t -61.97 -51.72 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.713 0.805 . . . . 0.0 110.639 174.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -60.29 -42.96 96.58 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.734 0.697 . . . . 0.0 111.173 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.78 -50.28 73.78 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.206 0.603 . . . . 0.0 111.647 175.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.23 -54.2 44.33 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.541 0.61 . . . . 0.0 112.049 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -63.08 -26.31 68.77 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.207 -0.933 . . . . 0.0 113.294 -175.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.76 -38.69 94.28 Favored Glycine 0 CA--C 1.538 1.511 0 O-C-N 121.022 -1.049 . . . . 0.0 113.778 168.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -73.59 -33.18 64.5 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 118.025 0.913 . . . . 0.0 111.629 173.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.424 HG13 ' CD2' ' C' ' 24' ' ' TYR . 97.6 t -68.9 -24.74 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.539 1.536 . . . . 0.0 113.048 176.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.84 125.59 1.79 Allowed Glycine 0 CA--C 1.542 1.735 0 C-N-CA 125.142 1.353 . . . . 0.0 114.109 175.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 76.91 -38.38 0.3 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 129.004 2.921 . . . . 0.0 114.776 -174.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -74.88 -17.67 60.55 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.213 1.005 . . . . 0.0 113.123 172.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.415 ' HB2' HG12 ' C' ' 17' ' ' VAL . . . -44.77 -49.71 10.5 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.155 2.182 . . . . 0.0 114.724 -172.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.7 -37.22 94.39 Favored Glycine 0 N--CA 1.47 0.923 0 O-C-N 121.856 -0.528 . . . . 0.0 113.541 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -42.16 83.59 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.773 0.829 . . . . 0.0 111.025 175.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' TYR . . . . . 0.424 ' CD2' HG13 ' C' ' 17' ' ' VAL . 14.7 m-30 -63.73 -39.4 94.21 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.309 0.958 . . . . 0.0 112.358 174.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.45 -59.28 11.13 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 123.706 0.67 . . . . 0.0 111.616 170.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.73 -52.21 42.56 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.453 1.501 . . . . 0.0 112.7 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.08 -38.31 79.16 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 124.865 1.266 . . . . 0.0 112.444 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.51 -36.07 81.81 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 119.14 0.882 . . . . 0.0 112.228 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.78 -47.75 82.13 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.423 0.556 . . . . 0.0 110.335 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.85 -46.8 88.13 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.332 0.653 . . . . 0.0 111.152 -177.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -54.57 -50.94 66.77 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 124.896 1.278 . . . . 0.0 111.413 169.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 49.7 ttp -57.01 -44.52 82.9 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.397 0.999 . . . . 0.0 112.146 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -61.74 -23.33 66.09 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 47.9 mt -97.94 -40.85 8.27 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.81 0.844 . . . . 0.0 110.642 -178.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 54.2 m -77.4 -18.72 57.04 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.919 2.088 . . . . 0.0 113.589 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -140.44 80.45 19.05 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 125.977 1.711 . . . . 0.0 108.806 174.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -45.79 -26.65 3.33 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 124.423 3.415 . . . . 0.0 114.323 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . 0.611 ' O ' HG22 ' C' ' 41' ' ' THR . 41.4 m -41.08 -29.35 0.11 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.163 2.185 . . . . 0.0 116.001 164.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 70.3 p -81.12 -25.52 36.88 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 122.938 2.608 . . . . 0.0 113.962 175.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -56.75 -34.86 67.98 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 119.948 1.249 . . . . 0.0 111.72 168.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . 0.611 HG22 ' O ' ' C' ' 38' ' ' THR . 0.6 OUTLIER -62.96 -19.76 64.59 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 175.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.19 0.74 3.41 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.034 -1.041 . . . . 0.0 113.728 171.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 2.7 t80 59.96 60.22 4.22 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 125.513 1.525 . . . . 0.0 112.402 171.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -59.24 136.87 75.32 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 124.023 3.149 . . . . 0.0 113.198 -167.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -78.12 14.04 1.28 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.782 1.233 . . . . 0.0 113.741 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -139.54 151.78 46.39 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.855 1.662 . . . . 0.0 111.45 -173.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -83.01 146.85 28.52 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.35 0.66 . . . . 0.0 111.39 169.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.71 28.42 1.16 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.142 0.977 . . . . 0.0 113.532 -172.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 19.1 p -62.76 -56.73 14.93 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.263 1.025 . . . . 0.0 112.67 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -163.87 141.06 7.02 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.404 1.882 . . . . 0.0 110.85 172.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.76 25.69 59.24 Favored Glycine 0 CA--C 1.54 1.641 0 N-CA-C 116.445 1.338 . . . . 0.0 116.445 168.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -55.93 133.53 51.56 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.128 1.371 . . . . 0.0 114.338 -170.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.52 -27.2 65.96 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.266 1.426 . . . . 0.0 113.473 172.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -84.58 -40.75 17.16 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.386 0.674 . . . . 0.0 111.467 176.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.81 -41.18 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 121.5 -0.75 . . . . 0.0 112.113 178.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -61.39 -40.28 93.78 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 119.836 1.198 . . . . 0.0 113.041 174.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.45 -52.36 31.27 Favored Glycine 0 N--CA 1.472 1.077 0 C-N-CA 124.237 0.922 . . . . 0.0 112.284 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -40.81 74.4 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.952 0.901 . . . . 0.0 112.046 173.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.61 -49.47 69.66 Favored Glycine 0 C--N 1.339 0.71 0 C-N-CA 124.093 0.854 . . . . 0.0 113.337 172.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -55.38 -41.66 72.95 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.543 1.172 . . . . 0.0 112.333 171.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -61.62 -50.75 71.3 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 119.339 0.972 . . . . 0.0 112.115 175.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 95.7 t -57.66 -42.47 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 119.296 0.953 . . . . 0.0 110.889 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 63' ' ' ALA . . . . . 0.401 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -62.87 -47.04 85.07 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 176.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -61.12 -38.47 86.46 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.495 1.043 . . . . 0.0 111.957 175.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.01 99.9 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.798 -0.564 . . . . 0.0 112.35 172.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.44 -45.15 92.39 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.718 -0.658 . . . . 0.0 111.306 170.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 92.0 m -56.2 -45.5 79.81 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.688 1.131 . . . . 0.0 111.742 172.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -27.92 67.55 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 120.308 1.413 . . . . 0.0 112.896 176.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.86 -45.81 70.1 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.251 0.932 . . . . 0.0 111.475 169.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.65 -46.83 92.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 CA-C-N 119.775 1.17 . . . . 0.0 111.504 174.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.95 -26.09 67.99 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.82 1.248 . . . . 0.0 113.908 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -130.68 32.64 4.35 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.81 1.244 . . . . 0.0 111.031 -175.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 10.5 p -60.58 -21.08 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 -164.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.33 6.45 26.48 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 119.729 1.15 . . . . 0.0 113.386 170.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -141.2 29.18 1.83 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 128.021 2.528 . . . . 0.0 110.906 -164.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 18.4 ptt? -112.64 40.14 0.21 Allowed Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 125.181 1.392 . . . . 0.0 114.559 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -64.83 -28.97 58.98 Favored 'Trans proline' 0 C--N 1.355 0.888 0 CA-C-N 122.908 2.074 . . . . 0.0 113.287 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -130.2 -0.43 4.6 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.659 1.184 . . . . 0.0 114.06 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.77 -16.15 63.71 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 120.194 -1.566 . . . . 0.0 114.431 -174.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 32.2 mt -104.15 13.69 31.89 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.933 1.293 . . . . 0.0 111.919 169.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 24.1 t -57.92 -42.07 84.04 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.837 1.199 . . . . 0.0 112.328 -172.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.17 -27.14 43.6 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 172.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 mt -87.73 -38.51 15.73 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.33 1.052 . . . . 0.0 110.689 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 22.4 p -64.63 -33.69 76.53 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 168.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -62.08 -48.21 81.24 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.845 1.258 . . . . 0.0 110.664 170.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 14.7 tp -53.14 -44.39 67.7 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 121.371 -0.83 . . . . 0.0 112.147 169.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -76.98 18.19 0.38 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 125.842 1.657 . . . . 0.0 114.165 175.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.7 -46.3 0.16 Allowed 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -58.94 -35.28 72.87 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.611 1.164 . . . . 0.0 111.589 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -144.78 -172.31 3.8 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 128.621 2.768 . . . . 0.0 109.084 176.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 82.3 mt 27.59 73.08 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.994 2.118 . . . . 0.0 114.223 167.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -38.46 -54.81 1.46 Allowed 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.199 1.4 . . . . 0.0 112.585 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 98.5 t 48.14 71.79 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 122.784 1.278 . . . . 0.0 111.143 176.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -58.82 147.22 73.07 Favored Pre-proline 0 CA--C 1.546 0.803 0 O-C-N 120.74 -1.225 . . . . 0.0 112.237 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.79 -24.3 30.19 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 123.575 2.85 . . . . 0.0 115.125 -168.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 18.5 t -40.0 -52.03 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.941 1.296 . . . . 0.0 111.961 165.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -57.2 -40.18 76.9 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -40.09 78.49 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 119.212 -0.423 . . . . 0.0 111.056 178.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -61.15 -42.08 97.91 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.483 0.583 . . . . 0.0 109.995 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.27 -55.49 34.22 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.164 0.985 . . . . 0.0 109.347 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -34.0 72.4 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.772 0.429 . . . . 0.0 112.085 176.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 73.9 m -68.9 -39.02 79.95 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.587 1.085 . . . . 0.0 113.358 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -59.56 -44.46 93.26 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.204 -0.935 . . . . 0.0 110.346 167.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 68.4 m -62.56 -33.49 75.04 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 174.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 41.8 mt -68.65 -48.4 64.12 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.655 1.116 . . . . 0.0 111.735 171.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 41.7 mt -53.77 -41.25 66.97 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.465 -0.772 . . . . 0.0 110.191 174.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 24.6 t -58.8 -48.58 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.971 0.909 . . . . 0.0 112.917 172.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 2.3 p -67.48 -34.85 78.01 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 120.144 1.338 . . . . 0.0 112.647 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.6 -48.3 82.37 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.555 0.616 . . . . 0.0 110.188 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.79 -33.09 68.18 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.64 -6.48 11.36 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -139.19 -44.84 0.46 Allowed 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -174.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 6.8 mp -78.14 141.99 63.27 Favored Pre-proline 0 CA--C 1.559 1.309 0 CA-C-O 116.697 -1.62 . . . . 0.0 107.874 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -54.22 -122.25 0.0 OUTLIER 'Trans proline' 0 CA--C 1.555 1.53 1 C-N-CA 126.59 4.86 . . . . 0.0 117.342 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.63 54.19 0.06 Allowed 'General case' 0 CA--C 1.544 0.748 0 O-C-N 118.944 -2.348 . . . . 0.0 110.433 160.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.67 -19.26 10.09 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.948 1.299 . . . . 0.0 112.739 -177.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.97 37.3 1.32 Allowed 'General case' 0 N--CA 1.432 -1.362 0 C-N-CA 126.537 1.935 . . . . 0.0 113.29 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 1.1 p -53.21 159.89 1.9 Allowed Pre-proline 0 N--CA 1.477 0.906 0 O-C-N 121.08 -1.013 . . . . 0.0 110.21 169.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -47.3 -44.82 23.66 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.21 1.94 . . . . 0.0 115.13 169.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.34 -54.13 37.81 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.407 0.549 . . . . 0.0 110.889 174.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 14.0 t -77.0 -33.98 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 O-C-N 121.494 -0.754 . . . . 0.0 112.939 -168.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -73.53 -48.88 29.67 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.999 1.319 . . . . 0.0 112.336 175.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.04 -48.7 77.89 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 118.744 0.702 . . . . 0.0 109.798 173.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 15.6 t -52.69 -61.96 1.95 Allowed 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.013 0.925 . . . . 0.0 112.738 173.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 58.6 mt -60.69 -42.95 98.19 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.976 1.262 . . . . 0.0 112.039 -175.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.84 -43.17 93.92 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.832 1.196 . . . . 0.0 112.267 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.31 -30.11 61.92 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.237 -0.914 . . . . 0.0 113.122 177.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -61.6 -58.75 6.86 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 124.643 1.177 . . . . 0.0 110.067 169.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.26 -43.07 70.63 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.482 0.713 . . . . 0.0 110.619 175.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.25 -42.5 73.58 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 120.084 1.311 . . . . 0.0 112.738 173.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 11.2 m -71.03 -31.63 68.16 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 171.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 87.1 t -55.49 -50.03 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 CA-C-N 120.087 1.312 . . . . 0.0 108.835 167.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 33.5 t -58.77 -48.72 80.24 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 123.975 0.91 . . . . 0.0 113.39 174.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 96.1 m -51.42 -46.0 62.79 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.018 0.827 . . . . 0.0 110.7 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 81.1 t -68.11 -41.64 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 O-C-N 121.425 -0.797 . . . . 0.0 112.255 174.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -5.87 3.23 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.448 -1.408 . . . . 0.0 113.049 171.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 61.8 m -116.68 -21.0 9.3 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.093 2.157 . . . . 0.0 111.939 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 52.0 m . . . . . 0 N--CA 1.475 0.793 0 C-N-CA 125.183 1.393 . . . . 0.0 111.963 -172.928 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.296 2.5 p . . . . . 0 N--CA 1.517 2.884 0 CA-C-O 117.535 -1.221 . . . . 0.0 113.234 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 9.2 75.13 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 129.212 3.005 . . . . 0.0 116.257 -172.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.06 154.4 34.51 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.769 -0.582 . . . . 0.0 111.877 -170.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.6 145.76 97.14 Favored Pre-proline 0 N--CA 1.482 1.136 0 CA-C-O 118.086 -0.959 . . . . 0.0 109.653 168.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -52.04 -39.65 69.52 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 123.435 2.757 . . . . 0.0 116.005 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.7 -41.4 79.2 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.006 0.821 . . . . 0.0 111.862 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -67.41 -42.85 82.59 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.122 0.569 . . . . 0.0 111.1 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -54.33 -53.38 54.66 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.293 1.037 . . . . 0.0 110.823 168.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 30.1 t -54.14 -45.82 72.07 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.369 0.531 . . . . 0.0 111.276 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.1 -53.47 58.02 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 175.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.62 -49.0 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 CA-C-N 119.906 1.23 . . . . 0.0 111.862 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -71.47 -34.76 70.48 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.792 1.178 . . . . 0.0 112.341 -173.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.48 -38.98 85.21 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 120.014 1.279 . . . . 0.0 112.202 172.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.37 -26.79 61.15 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.573 -0.704 . . . . 0.0 111.276 176.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 9.6 t90 -63.42 -43.6 97.03 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.088 -1.008 . . . . 0.0 111.958 162.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.23 -31.92 42.73 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.699 1.618 . . . . 0.0 115.343 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -96.4 -9.52 29.72 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.482 1.113 . . . . 0.0 113.981 174.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.01 142.3 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.178 0.991 . . . . 0.0 112.012 -171.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -91.02 76.33 6.21 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.344 1.058 . . . . 0.0 109.8 -175.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 85.8 t -47.82 -40.02 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -163.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.6 -49.09 61.97 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.686 1.13 . . . . 0.0 112.639 173.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -74.99 -51.33 13.91 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.507 0.723 . . . . 0.0 111.098 -173.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -31.17 52.58 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 C-N-CA 124.629 1.172 . . . . 0.0 111.62 176.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.08 -42.92 34.98 Favored Glycine 0 C--N 1.341 0.835 0 CA-C-N 118.849 0.75 . . . . 0.0 111.632 176.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.43 -44.49 96.68 Favored Glycine 0 N--CA 1.464 0.551 0 CA-C-N 117.892 0.846 . . . . 0.0 112.738 172.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.5 -48.96 79.5 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 117.656 0.728 . . . . 0.0 111.231 170.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.71 -55.81 30.35 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.834 1.652 . . . . 0.0 112.549 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 57.1 tp -67.22 -39.86 86.31 Favored 'General case' 0 C--O 1.224 -0.258 0 O-C-N 121.349 -0.844 . . . . 0.0 111.685 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.75 -50.32 68.97 Favored Glycine 0 C--N 1.334 0.44 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 173.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -52.42 -36.66 54.84 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.057 1.343 . . . . 0.0 113.814 175.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 18.1 tp -52.0 -42.05 62.68 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.067 1.303 . . . . 0.0 109.854 174.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -88.51 -28.94 20.47 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.762 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 4.7 m -56.74 -25.71 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-N 121.288 1.858 . . . . 0.0 113.814 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -2.35 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 119.274 0.943 . . . . 0.0 113.239 175.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 t80 54.63 35.68 0.3 Allowed Pre-proline 0 CA--C 1.562 1.421 0 C-N-CA 126.294 1.837 . . . . 0.0 115.051 -170.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -78.69 172.89 14.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 122.895 2.396 . . . . 0.0 111.99 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 8.4 p90 -56.47 -30.14 62.57 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 172.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.91 -23.78 61.57 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 120.916 -1.115 . . . . 0.0 113.418 171.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -58.18 -26.64 63.02 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.452 1.023 . . . . 0.0 112.781 171.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -64.43 -13.71 52.85 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.817 -1.177 . . . . 0.0 114.152 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.59 15.2 18.64 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 119.345 0.975 . . . . 0.0 113.404 172.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -53.47 -28.05 28.43 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -47.83 -37.46 13.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.721 1.208 . . . . 0.0 113.786 177.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 19.4 m -65.37 -21.82 66.73 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -109.82 -8.88 14.84 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.866 1.666 . . . . 0.0 112.14 175.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.17 -160.84 7.1 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.468 1.032 . . . . 0.0 113.721 -171.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 39.08 -122.71 0.32 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.393 1.877 . . . . 0.0 112.809 -176.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 8.8 tt 58.76 -10.57 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.917 2.087 . . . . 0.0 116.585 -177.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 11.7 m -51.23 -19.52 1.25 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 61.6 p -134.2 158.94 74.15 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 125.6 1.56 . . . . 0.0 111.237 166.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -56.01 -42.52 65.86 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 123.677 2.918 . . . . 0.0 114.729 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.06 -36.79 85.17 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.074 0.549 . . . . 0.0 111.652 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.54 93.42 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -176.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.84 -32.11 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 120.861 1.664 . . . . 0.0 113.387 -175.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 16.3 ptp -92.33 -18.09 23.82 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.24 -31.46 16.78 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 123.919 0.771 . . . . 0.0 114.546 171.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -59.34 125.37 78.86 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 125.235 1.414 . . . . 0.0 113.243 -173.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -64.58 -30.31 60.96 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.755 2.303 . . . . 0.0 113.884 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -68.94 -36.55 78.09 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.449 1.022 . . . . 0.0 112.808 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 76.4 t -65.03 -40.17 88.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.736 1.215 . . . . 0.0 111.143 166.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -62.26 -45.81 91.63 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 120.198 1.363 . . . . 0.0 112.052 173.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.01 -50.17 71.76 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.888 1.275 . . . . 0.0 113.42 176.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -62.05 -36.92 83.07 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.908 -1.12 . . . . 0.0 112.031 172.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.65 -48.77 64.11 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.814 1.197 . . . . 0.0 112.396 169.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -54.87 -43.35 73.06 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.752 1.621 . . . . 0.0 111.756 172.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -66.47 -55.5 15.35 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.38 1.072 . . . . 0.0 113.457 174.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 4.3 m -60.18 -39.97 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 120.855 1.661 . . . . 0.0 112.03 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.7 tt -69.68 -40.0 76.65 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.453 -0.779 . . . . 0.0 111.109 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.88 -36.24 86.51 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.932 1.253 . . . . 0.0 113.821 173.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.81 -49.78 67.02 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.427 1.113 . . . . 0.0 111.828 168.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -54.71 -40.65 69.41 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 174.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 85.3 p -71.07 -34.68 71.42 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.761 -1.212 . . . . 0.0 113.423 173.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.89 -28.47 64.24 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.331 0.968 . . . . 0.0 112.151 166.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.85 -64.06 4.7 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 124.13 0.872 . . . . 0.0 111.844 164.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.34 -34.46 33.87 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 118.667 1.234 . . . . 0.0 113.581 177.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.04 -18.44 58.11 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.22 39.41 1.0 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.289 1.435 . . . . 0.0 112.986 -170.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 70.7 mt -57.24 -21.58 35.1 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.677 -1.264 . . . . 0.0 114.138 -178.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -65.6 -11.43 44.28 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.241 2.216 . . . . 0.0 115.667 174.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -113.99 -60.29 1.9 Allowed 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.793 1.179 . . . . 0.0 113.837 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 53.25 9.27 0.14 Allowed 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -133.37 -61.34 0.82 Allowed 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 120.221 1.373 . . . . 0.0 111.883 171.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.25 -40.09 83.62 Favored Glycine 0 N--CA 1.479 1.561 0 CA-C-N 119.019 0.827 . . . . 0.0 114.526 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.4 t -66.26 -15.17 62.98 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 175.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -122.85 -0.96 8.96 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.686 1.594 . . . . 0.0 114.687 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.02 -33.17 71.64 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 120.75 1.614 . . . . 0.0 114.468 -171.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 19.1 p -64.65 -41.21 96.28 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.194 -0.941 . . . . 0.0 111.88 170.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.4 -39.32 65.16 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-O 118.216 -0.897 . . . . 0.0 112.096 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -64.64 -38.38 90.8 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 120.304 1.411 . . . . 0.0 111.596 175.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -65.24 -45.03 86.29 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.777 -0.577 . . . . 0.0 112.062 172.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 51.7 tp -55.4 -56.32 21.5 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.237 -0.914 . . . . 0.0 111.009 171.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -77.26 30.13 0.14 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.108 1.763 . . . . 0.0 113.505 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 93' ' ' CYS . . . . . 0.543 ' SG ' HG21 ' A' ' 41' ' ' THR . 3.8 t -149.82 -80.78 0.12 Allowed 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 123.897 0.879 . . . . 0.0 108.877 169.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.71 -17.32 47.51 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.825 2.05 . . . . 0.0 115.73 -174.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -112.85 -35.67 5.39 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.206 1.403 . . . . 0.0 112.171 171.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 13.2 mt -133.5 85.08 2.18 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.049 2.14 . . . . 0.0 108.101 -174.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.73 -33.19 60.79 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -173.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 59.8 t 19.54 96.17 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 128.999 2.919 . . . . 0.0 115.078 160.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -54.97 132.65 67.62 Favored Pre-proline 0 CA--C 1.551 0.985 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -176.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.1 -19.81 12.66 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 124.475 3.45 . . . . 0.0 118.093 -178.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -52.7 -33.53 48.02 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.821 1.191 . . . . 0.0 112.046 166.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.78 -38.66 88.87 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.01 -1.056 . . . . 0.0 112.086 173.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -68.49 -42.68 78.27 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.793 0.837 . . . . 0.0 110.551 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -57.7 -49.67 75.75 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.779 172.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 84.5 mt -57.85 -51.02 71.34 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 118.36 -0.829 . . . . 0.0 112.142 175.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 3.6 tt -55.61 -36.04 66.52 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.193 1.36 . . . . 0.0 110.84 173.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 107' ' ' GLY . . . . . 0.474 ' CA ' HG11 ' D' ' 134' ' ' VAL . . . -67.2 -54.15 22.17 Favored Glycine 0 CA--C 1.519 0.294 0 O-C-N 120.998 -1.064 . . . . 0.0 114.984 176.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -55.59 -35.16 65.51 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.478 1.139 . . . . 0.0 110.279 171.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 30.5 t -65.51 -41.36 90.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-O 117.818 -1.087 . . . . 0.0 113.077 173.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.77 -53.34 59.52 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 121.303 1.865 . . . . 0.0 111.137 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 111' ' ' VAL . . . . . 0.463 HG12 ' HB3' ' D' ' 130' ' ' TYR . 1.3 m -55.5 -37.71 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-O 121.1 0.476 . . . . 0.0 112.252 -171.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 49.6 t -77.01 -27.59 54.71 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -172.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 p -68.82 -39.1 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 120.018 -1.677 . . . . 0.0 110.723 170.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.2 -36.79 80.85 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.58 0.627 . . . . 0.0 110.761 171.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 115' ' ' ALA . . . . . 0.413 ' HB2' ' CE2' ' D' ' 122' ' ' PHE . . . -59.99 -26.78 66.32 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 170.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -75.28 -61.69 1.81 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 120.594 1.543 . . . . 0.0 111.845 167.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -63.6 -24.1 67.66 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -169.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -132.29 23.99 4.47 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.403 1.481 . . . . 0.0 112.107 -174.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -46.16 -40.97 10.8 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 125.843 1.687 . . . . 0.0 116.037 -173.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -63.54 -21.93 66.61 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -105.62 -2.46 23.42 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.342 1.857 . . . . 0.0 112.72 174.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 122' ' ' PHE . . . . . 0.413 ' CE2' ' HB2' ' D' ' 115' ' ' ALA . 6.4 t80 -86.55 58.26 4.96 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 120.855 -1.153 . . . . 0.0 113.055 -169.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 32.6 p -53.25 158.05 2.87 Favored Pre-proline 0 N--CA 1.48 1.05 0 C-N-CA 126.127 1.771 . . . . 0.0 113.74 -174.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -47.72 -49.92 12.59 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.465 2.11 . . . . 0.0 115.22 170.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.11 -27.46 41.9 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.331 1.354 . . . . 0.0 114.33 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.43 -40.36 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 122.099 2.227 . . . . 0.0 111.777 176.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -60.3 -42.1 94.8 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.562 -0.711 . . . . 0.0 111.139 176.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.7 -31.98 72.98 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 173.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.27 -51.58 56.0 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.432 -0.793 . . . . 0.0 110.239 174.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 130' ' ' TYR . . . . . 0.463 ' HB3' HG12 ' D' ' 111' ' ' VAL . 47.6 m-85 -52.3 -48.59 65.27 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.446 0.566 . . . . 0.0 111.262 169.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 15.1 tm0? -54.67 -46.26 74.01 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 118.206 -0.902 . . . . 0.0 112.654 174.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -63.57 -41.72 98.36 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.733 1.606 . . . . 0.0 113.152 -176.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 1.6 p -73.76 -38.75 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 119.252 0.933 . . . . 0.0 112.239 174.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 134' ' ' VAL . . . . . 0.474 HG11 ' CA ' ' D' ' 107' ' ' GLY . 87.4 t -72.12 -34.83 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 118.781 0.719 . . . . 0.0 112.568 -178.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.48 -40.07 93.21 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.972 -1.08 . . . . 0.0 111.516 167.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -53.12 -52.9 37.1 Favored Glycine 0 N--CA 1.47 0.944 0 CA-C-O 119.628 -0.54 . . . . 0.0 112.385 166.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.05 -42.85 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 118.294 1.047 . . . . 0.0 112.402 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.98 -47.7 83.64 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.75 0.705 . . . . 0.0 111.722 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -31.95 73.35 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.722 -0.611 . . . . 0.0 112.17 175.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.07 -48.82 64.51 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.875 0.87 . . . . 0.0 111.387 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.08 -34.44 74.93 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.511 -0.743 . . . . 0.0 111.597 173.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.39 -4.15 24.69 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 172.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -57.72 -43.13 85.06 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 121.337 1.881 . . . . 0.0 113.204 -176.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -73.99 2.12 9.4 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.786 1.234 . . . . 0.0 113.617 174.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.4 -28.58 6.81 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 127.94 2.496 . . . . 0.0 111.819 -176.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 34.3 m-70 . . . . . 0 C--O 1.255 1.391 0 C-N-CA 128.768 2.827 . . . . 0.0 115.717 -174.814 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 24.7 m . . . . . 0 N--CA 1.509 2.511 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 36.8 mt -144.88 -171.51 3.65 Favored 'General case' 0 CA--C 1.556 1.193 0 O-C-N 120.243 -1.536 . . . . 0.0 111.873 -172.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.51 154.71 77.48 Favored Pre-proline 0 N--CA 1.489 1.507 0 C-N-CA 125.687 1.595 . . . . 0.0 111.745 -168.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -76.48 -51.54 0.1 OUTLIER 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.263 1.975 . . . . 0.0 114.609 -167.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.75 -37.55 84.86 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.358 -0.838 . . . . 0.0 112.232 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.43 -40.8 92.38 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.536 0.734 . . . . 0.0 111.848 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -56.24 -46.12 79.72 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 118.052 -0.975 . . . . 0.0 111.798 170.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.5 m -56.36 -42.53 77.94 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.046 1.294 . . . . 0.0 112.13 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -66.55 -35.91 81.38 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.923 -1.11 . . . . 0.0 112.62 174.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.5 t -61.63 -43.37 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-N 119.192 0.906 . . . . 0.0 111.156 169.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.23 -45.98 91.35 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.317 0.962 . . . . 0.0 111.063 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.87 -50.29 74.58 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.164 0.585 . . . . 0.0 111.151 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.05 -57.86 10.98 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.499 0.719 . . . . 0.0 112.299 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -66.38 -24.08 66.43 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.414 -0.804 . . . . 0.0 113.036 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.85 -50.53 64.87 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.673 1.13 . . . . 0.0 113.391 170.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -26.24 63.31 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 118.642 1.221 . . . . 0.0 112.508 175.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.06 -20.16 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.538 1.135 . . . . 0.0 113.234 172.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.43 141.2 4.65 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 124.813 1.197 . . . . 0.0 114.535 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 61.0 -35.21 0.09 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 128.346 2.658 . . . . 0.0 116.464 -169.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -77.57 -14.1 59.74 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.737 1.215 . . . . 0.0 113.551 173.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.28 -48.09 62.33 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.193 1.397 . . . . 0.0 114.438 -166.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.1 -35.37 92.0 Favored Glycine 0 N--CA 1.47 0.963 0 O-C-N 121.71 -0.619 . . . . 0.0 113.479 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -64.54 -44.85 89.5 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.903 0.881 . . . . 0.0 110.498 173.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -66.33 -35.4 80.26 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.34 -49.16 76.88 Favored Glycine 0 CA--C 1.533 1.207 0 CA-C-N 118.935 0.789 . . . . 0.0 112.264 170.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.86 91.2 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 117.765 0.783 . . . . 0.0 112.001 175.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.85 -40.57 95.37 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 121.252 -0.905 . . . . 0.0 113.122 173.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.08 89.36 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 120.677 1.58 . . . . 0.0 112.202 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.29 -50.6 67.25 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.223 1.009 . . . . 0.0 111.471 171.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.44 -43.47 96.79 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.459 -0.776 . . . . 0.0 111.784 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -60.47 -40.52 91.52 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.501 1.52 . . . . 0.0 111.652 173.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -61.45 -51.43 68.76 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.464 1.029 . . . . 0.0 111.884 171.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -63.16 -41.28 99.22 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.5 -32.69 62.61 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.83 0.741 . . . . 0.0 112.758 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.6 m -78.0 -18.6 55.73 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -146.81 69.17 12.04 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 123.645 0.778 . . . . 0.0 110.56 -170.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -62.08 -13.72 33.33 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.484 2.789 . . . . 0.0 115.464 -165.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.3 p -53.93 -25.71 21.79 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.474 1.51 . . . . 0.0 114.376 163.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.8 p -74.2 -35.49 63.95 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.144 1.338 . . . . 0.0 113.083 175.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -55.98 -34.7 65.98 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -178.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -55.62 -26.93 46.76 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.494 ' CZ ' HG22 ' A' ' 93' ' ' VAL . 0.6 OUTLIER -63.29 -22.05 66.63 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.782 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 30.54 59.06 0.96 Allowed Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 126.975 2.11 . . . . 0.0 113.38 -177.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -46.7 -57.05 2.49 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 124.121 3.214 . . . . 0.0 114.913 -161.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -161.15 17.67 0.11 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.631 1.572 . . . . 0.0 112.652 161.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.48 -176.8 4.52 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.129 1.372 . . . . 0.0 113.357 -162.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -130.84 143.99 51.13 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.423 1.489 . . . . 0.0 109.157 175.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.72 27.88 4.61 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.665 1.586 . . . . 0.0 112.906 -164.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 97.9 p -57.41 167.78 0.92 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.068 1.347 . . . . 0.0 113.689 170.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -57.85 114.5 2.34 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.066 -1.021 . . . . 0.0 111.028 174.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.88 5.48 62.68 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-O 118.754 -1.025 . . . . 0.0 115.488 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.6 116.25 3.57 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.518 1.659 . . . . 0.0 113.726 -173.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.5 -33.64 63.91 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.252 1.021 . . . . 0.0 113.163 177.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -62.56 -38.51 90.36 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.754 0.822 . . . . 0.0 112.04 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.5 t -69.12 -36.02 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 O-C-N 121.434 -0.791 . . . . 0.0 111.386 173.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -63.96 -45.68 88.07 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.537 1.062 . . . . 0.0 111.55 175.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.14 -51.78 56.77 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 124.164 0.888 . . . . 0.0 112.287 174.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -55.89 -43.98 77.73 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.934 0.893 . . . . 0.0 111.92 173.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.12 -48.95 79.82 Favored Glycine 0 CA--C 1.528 0.861 0 O-C-N 121.039 -1.038 . . . . 0.0 113.68 174.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -55.78 -43.48 76.82 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.025 0.93 . . . . 0.0 112.405 171.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.12 -50.29 68.85 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 118.35 -0.834 . . . . 0.0 112.869 175.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 69.0 t -56.09 -43.51 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 CA-C-N 120.302 1.41 . . . . 0.0 111.5 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.64 74.31 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -59.87 -36.02 76.04 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.45 -0.781 . . . . 0.0 112.299 176.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.32 -38.79 92.52 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.405 -0.81 . . . . 0.0 112.742 171.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mt -65.74 -41.21 92.47 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.695 -0.669 . . . . 0.0 111.914 170.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 45.5 m -58.94 -45.8 89.53 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.983 1.265 . . . . 0.0 111.708 171.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -61.54 -39.95 92.9 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.583 1.953 . . . . 0.0 112.446 175.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.08 -58.12 10.05 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.778 0.717 . . . . 0.0 110.371 167.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.8 t -52.53 -41.02 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 125.082 1.353 . . . . 0.0 112.908 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.55 -23.06 65.38 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.32 1.448 . . . . 0.0 114.63 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -135.77 24.14 3.37 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.296 1.438 . . . . 0.0 112.249 -171.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.86 -23.1 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -154.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.92 -5.99 40.17 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 120.094 1.315 . . . . 0.0 114.415 172.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -119.81 3.25 11.09 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.654 2.382 . . . . 0.0 112.453 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -61.81 -17.73 0.42 Allowed Pre-proline 0 CA--C 1.546 0.795 0 N-CA-C 117.862 2.542 . . . . 0.0 117.862 -178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.517 ' HA ' HG13 ' A' ' 135' ' ' VAL . 85.7 Cg_exo -45.92 -42.87 20.21 Favored 'Trans proline' 0 C--N 1.361 1.223 0 CA-C-N 123.936 2.441 . . . . 0.0 114.222 168.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -75.82 -50.62 14.64 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.328 0.651 . . . . 0.0 110.803 173.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.52 -16.13 63.77 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -170.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.0 mt -101.6 5.64 41.73 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.164 1.386 . . . . 0.0 112.984 173.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.7 t -57.61 -37.9 74.04 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 120.848 -1.157 . . . . 0.0 113.614 -177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.9 -25.8 61.32 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.717 1.144 . . . . 0.0 113.434 174.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 mt -89.14 -34.06 16.84 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.687 1.195 . . . . 0.0 110.677 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.2 t -57.98 -46.07 85.75 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 117.941 -1.028 . . . . 0.0 111.127 162.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -54.97 -51.22 66.86 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.439 1.472 . . . . 0.0 112.588 172.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.26 -53.46 28.25 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.511 0.725 . . . . 0.0 111.148 171.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -18.65 61.22 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -178.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.03 -11.9 12.67 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 121.176 1.807 . . . . 0.0 114.309 -170.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.26 -5.01 2.67 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.373 1.469 . . . . 0.0 113.981 178.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -130.1 -42.34 1.23 Allowed 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 115.316 1.598 . . . . 0.0 115.316 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.48 -54.8 2.59 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 23.0 mtm105 46.34 48.96 13.32 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 126.294 1.837 . . . . 0.0 114.547 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.494 HG22 ' CZ ' ' A' ' 42' ' ' TYR . 87.2 t -86.11 139.18 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.749 0.82 . . . . 0.0 111.187 177.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -41.66 128.24 2.41 Favored Pre-proline 0 CA--C 1.555 1.138 0 C-N-CA 127.658 2.383 . . . . 0.0 113.906 168.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -50.51 -15.66 1.69 Allowed 'Trans proline' 0 C--N 1.357 0.98 1 C-N-CA 125.306 4.004 . . . . 0.0 117.698 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.8 p -48.42 -36.07 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 120.827 -1.171 . . . . 0.0 112.327 169.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -65.94 -38.48 88.73 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.552 -0.737 . . . . 0.0 112.628 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -50.65 72.15 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.243 0.928 . . . . 0.0 110.156 172.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -54.58 -48.68 71.81 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.9 0.88 . . . . 0.0 110.479 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.94 -56.98 14.68 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.624 0.769 . . . . 0.0 112.352 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -41.42 87.34 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.912 0.778 . . . . 0.0 111.906 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.7 m -68.62 -43.42 76.4 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.248 0.931 . . . . 0.0 112.904 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -46.4 90.35 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.731 -0.606 . . . . 0.0 110.78 172.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 94.1 m -62.68 -39.42 93.9 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 117.958 -1.02 . . . . 0.0 111.821 176.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.8 mt -56.53 -55.94 27.5 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 120.468 1.485 . . . . 0.0 111.405 172.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.2 mt -48.26 -49.4 33.59 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.191 0.905 . . . . 0.0 111.224 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.22 -46.01 97.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 123.697 0.799 . . . . 0.0 112.548 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 87.2 m -64.62 -43.42 93.79 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.429 -0.795 . . . . 0.0 112.401 177.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.6 mt -58.62 -46.81 86.25 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.107 0.867 . . . . 0.0 109.514 176.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.97 -16.71 64.52 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.85 -12.58 50.08 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 119.408 1.004 . . . . 0.0 113.024 169.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -132.15 -14.01 3.07 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.992 1.317 . . . . 0.0 114.528 -175.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.2 mp -104.83 154.96 38.23 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 125.437 1.495 . . . . 0.0 110.807 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -52.87 -37.01 76.67 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 124.121 3.214 . . . . 0.0 115.819 -170.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.47 -33.79 0.1 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.088 0.955 . . . . 0.0 113.202 174.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 63.46 -4.28 0.33 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 116.018 1.858 . . . . 0.0 116.018 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.42 29.31 2.7 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.106 1.362 . . . . 0.0 111.37 -178.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.6 p -54.36 166.27 0.73 Allowed Pre-proline 0 N--CA 1.477 0.921 0 O-C-N 121.266 -0.896 . . . . 0.0 110.452 173.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -49.11 -38.11 39.72 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.105 1.87 . . . . 0.0 115.434 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.15 -53.03 7.07 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.796 0.331 . . . . 0.0 111.198 172.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.9 -34.06 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.075 -1.016 . . . . 0.0 112.172 -168.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -65.17 -51.14 62.94 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.639 1.563 . . . . 0.0 111.847 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.41 86.64 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.433 0.293 . . . . 0.0 110.959 173.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.0 m -58.14 -56.54 20.74 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.1 0.56 . . . . 0.0 111.949 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -75.26 -42.55 54.84 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.993 0.917 . . . . 0.0 112.01 -174.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -60.63 -51.07 70.95 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.814 1.188 . . . . 0.0 111.644 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.291 0.0 OUTLIER -71.08 -28.29 64.23 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 178.768 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -64.59 -50.8 65.78 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.791 1.178 . . . . 0.0 111.424 170.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.38 -36.84 81.38 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.96 0.8 . . . . 0.0 111.399 175.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.92 -54.5 46.27 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 118.514 -0.755 . . . . 0.0 111.172 170.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 69.3 m -60.9 -40.01 91.51 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.193 1.361 . . . . 0.0 114.163 177.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 55.5 t -55.67 -45.38 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-N 119.352 0.978 . . . . 0.0 110.476 171.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 67.9 m -74.2 -37.22 63.96 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 178.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 95.8 m -53.19 -44.97 68.36 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.213 1.37 . . . . 0.0 110.187 167.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.517 HG13 ' HA ' ' A' ' 77' ' ' PRO . 20.6 t -67.33 -46.05 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 124.438 1.095 . . . . 0.0 112.928 174.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -45.46 93.25 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.743 1.156 . . . . 0.0 112.024 176.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 92.5 m -66.77 -31.48 72.15 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.381 1.473 . . . . 0.0 113.146 176.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.47 0.546 0 C-N-CA 123.95 0.9 . . . . 0.0 111.018 172.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.331 2.5 p . . . . . 0 N--CA 1.514 2.75 0 CA-C-O 117.136 -1.411 . . . . 0.0 113.119 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 20.75 78.96 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 127.834 2.454 . . . . 0.0 116.109 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.26 160.84 17.81 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.014 175.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.5 p -64.97 154.14 87.09 Favored Pre-proline 0 N--CA 1.479 1.0 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.354 164.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.4 -35.68 85.3 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 122.551 2.167 . . . . 0.0 113.993 174.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.12 -43.62 67.25 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.438 0.695 . . . . 0.0 111.831 176.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -67.36 -38.78 85.32 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.33 -0.857 . . . . 0.0 112.216 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -53.39 -49.82 66.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.311 1.444 . . . . 0.0 111.029 168.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.3 t -59.39 -47.27 86.09 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.053 0.388 . . . . 0.0 111.774 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.86 -50.73 67.97 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.065 0.946 . . . . 0.0 113.48 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.34 -57.57 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 118.186 0.448 . . . . 0.0 111.616 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.2 m -70.06 -33.82 72.43 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.124 -0.985 . . . . 0.0 113.174 -168.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.92 -38.37 90.72 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 119.75 1.159 . . . . 0.0 112.416 175.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -31.96 66.37 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.645 -0.66 . . . . 0.0 112.219 174.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -36.71 82.68 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 120.936 -1.103 . . . . 0.0 112.898 166.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.12 -39.42 92.17 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.773 1.178 . . . . 0.0 114.312 174.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -89.91 -13.58 36.03 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.92 146.06 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.219 1.007 . . . . 0.0 113.263 -174.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -95.26 76.69 3.43 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.8 1.24 . . . . 0.0 109.428 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 95.1 t -47.61 -39.19 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -165.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -63.75 -60.42 3.32 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.898 0.879 . . . . 0.0 112.326 174.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -69.47 -49.69 52.51 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.53 0.732 . . . . 0.0 111.324 -174.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.99 -27.94 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.498 1.119 . . . . 0.0 112.235 179.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.95 -42.53 8.8 Favored Glycine 0 N--CA 1.468 0.801 0 CA-C-N 119.308 0.958 . . . . 0.0 112.195 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.02 -41.62 92.54 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-N 118.1 0.95 . . . . 0.0 111.765 167.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -62.56 -55.57 26.04 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 118.107 0.953 . . . . 0.0 112.52 168.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.97 -42.37 65.47 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 121.228 1.831 . . . . 0.0 113.403 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 tp -77.95 -54.62 6.09 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.762 0.825 . . . . 0.0 112.005 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.62 -45.25 96.21 Favored Glycine 0 N--CA 1.469 0.898 0 O-C-N 120.414 -1.429 . . . . 0.0 112.635 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -70.9 -10.18 59.15 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.763 1.225 . . . . 0.0 112.917 175.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -77.61 -44.36 28.57 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 120.122 1.328 . . . . 0.0 109.819 161.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.8 -25.52 67.95 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.462 -1.399 . . . . 0.0 113.299 175.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 m -75.27 -17.07 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 CA-C-N 120.535 1.516 . . . . 0.0 115.073 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.71 3.07 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-N 121.508 1.958 . . . . 0.0 113.685 -177.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 48.74 42.55 1.28 Allowed Pre-proline 0 CA--C 1.563 1.452 0 C-N-CA 125.817 1.647 . . . . 0.0 115.301 -163.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -75.72 168.17 24.85 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 123.666 2.911 . . . . 0.0 113.971 -173.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -24.57 65.61 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 170.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 25.4 p -60.84 -24.06 65.6 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 120.446 -1.409 . . . . 0.0 113.664 171.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -61.52 -8.95 4.83 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.913 -1.117 . . . . 0.0 113.512 -178.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -53.4 -33.37 53.55 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 118.967 -2.333 . . . . 0.0 113.559 170.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -88.31 9.08 24.45 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -49.77 -28.97 6.93 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 175.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -55.31 -14.06 1.65 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.17 1.788 . . . . 0.0 115.181 171.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 50.4 m -108.07 16.02 23.74 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.913 2.085 . . . . 0.0 113.486 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -117.62 4.77 12.35 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.743 1.217 . . . . 0.0 113.666 -178.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.95 -35.5 2.12 Favored Glycine 0 CA--C 1.533 1.216 0 N-CA-C 117.055 1.582 . . . . 0.0 117.055 162.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -141.39 -91.0 0.15 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.391 1.595 . . . . 0.0 111.785 -176.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 44.0 1.07 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 120.177 3.399 . . . . 0.0 120.177 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -59.91 -21.48 61.15 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 120.279 1.399 . . . . 0.0 114.298 -167.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 64.2 p -124.27 157.42 64.56 Favored Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 125.346 1.458 . . . . 0.0 110.598 164.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -55.76 -40.59 84.34 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.787 2.325 . . . . 0.0 114.715 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.85 -39.59 92.38 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.638 -0.664 . . . . 0.0 112.032 175.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.52 99.3 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.82 -26.0 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 119.719 1.145 . . . . 0.0 113.356 178.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -36.71 45.2 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.213 0.915 . . . . 0.0 112.925 174.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.28 -27.63 19.97 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 115.17 0.828 . . . . 0.0 115.17 -173.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.3 133.46 84.81 Favored Pre-proline 0 CA--C 1.555 1.149 0 CA-C-N 118.312 1.056 . . . . 0.0 113.613 -174.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.18 -32.74 16.26 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.766 2.31 . . . . 0.0 114.004 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -59.56 -45.86 90.58 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 120.481 1.492 . . . . 0.0 110.966 173.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 60.2 t -61.21 -37.09 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 CA-C-N 119.299 0.954 . . . . 0.0 112.773 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -68.77 -49.77 55.94 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 120.095 1.316 . . . . 0.0 112.795 174.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.66 98.45 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.896 0.878 . . . . 0.0 112.421 176.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -68.22 -33.37 74.28 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.14 -0.975 . . . . 0.0 111.669 175.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.12 -48.69 58.27 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 126.092 1.806 . . . . 0.0 113.377 165.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -59.81 -42.56 93.75 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 117.892 0.846 . . . . 0.0 112.048 171.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -62.52 -53.87 48.29 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.288 0.949 . . . . 0.0 113.007 176.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 12.3 p -58.22 -46.68 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-N 119.917 1.235 . . . . 0.0 112.082 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 tt -68.88 -39.33 79.86 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.279 -0.888 . . . . 0.0 111.818 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.79 -39.56 47.5 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.485 1.517 . . . . 0.0 113.697 171.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.43 -50.44 69.77 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.207 1.004 . . . . 0.0 111.903 168.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -58.97 -35.1 72.62 Favored 'General case' 0 CA--C 1.554 1.111 0 O-C-N 120.363 -1.46 . . . . 0.0 114.015 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 98.5 p -74.55 -37.67 62.94 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.227 -1.545 . . . . 0.0 113.434 173.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -56.95 -32.62 66.2 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.464 1.029 . . . . 0.0 111.578 164.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.12 -60.23 9.35 Favored Glycine 0 CA--C 1.523 0.532 0 C-N-CA 123.885 0.755 . . . . 0.0 111.812 170.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.5 mt -58.81 -26.8 64.45 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 178.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.75 -18.78 43.04 Favored 'General case' 0 CA--C 1.554 1.098 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 173.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -140.28 34.48 1.89 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.817 1.247 . . . . 0.0 113.282 -170.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 84.9 mt -55.83 -21.64 20.71 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -57.88 -33.09 68.33 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.174 1.39 . . . . 0.0 114.311 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -162.18 65.45 0.23 Allowed 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.382 0.992 . . . . 0.0 113.112 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 98.4 mt -45.81 -46.44 15.44 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.886 1.274 . . . . 0.0 113.717 -175.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -4.4 3.69 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.92 -10.21 52.76 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.347 1.451 . . . . 0.0 114.464 172.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 3.4 m -119.07 -28.76 5.42 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.048 1.339 . . . . 0.0 111.922 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -90.48 -4.67 56.8 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.305 1.042 . . . . 0.0 113.625 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.99 -37.77 61.68 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 -165.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 19.2 p -63.14 -41.72 99.34 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.129 0.972 . . . . 0.0 112.185 173.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 50.5 mt -66.81 -42.81 85.29 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 124.146 0.978 . . . . 0.0 110.969 171.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 7.0 m -61.84 -37.86 86.05 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 120.363 1.438 . . . . 0.0 112.613 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.78 -51.14 66.16 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.018 0.927 . . . . 0.0 111.959 171.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 21.8 tp -50.38 -52.78 34.32 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.272 -0.892 . . . . 0.0 111.427 171.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -71.24 8.97 0.85 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.26 1.424 . . . . 0.0 114.811 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 43.3 t -131.65 -70.0 0.6 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.315 1.046 . . . . 0.0 110.721 173.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -65.86 -16.5 63.89 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.155 1.382 . . . . 0.0 114.294 -175.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.35 -36.97 5.65 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.439 1.096 . . . . 0.0 112.696 166.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 12.5 mt -133.72 51.56 2.13 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.668 1.187 . . . . 0.0 113.747 -166.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -61.92 25.55 0.01 OUTLIER 'General case' 0 CA--C 1.567 1.598 0 C-N-CA 127.22 2.208 . . . . 0.0 116.808 -177.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 9.2 m -55.48 155.97 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.819 1.648 . . . . 0.0 113.272 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -56.36 136.77 75.87 Favored Pre-proline 0 CA--C 1.558 1.271 0 O-C-N 120.708 -1.245 . . . . 0.0 113.312 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -45.25 -31.69 6.48 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 123.977 3.118 . . . . 0.0 116.585 173.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.98 -31.95 70.39 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.027 -1.671 . . . . 0.0 113.038 175.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -58.14 -37.77 75.28 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.095 -1.003 . . . . 0.0 111.768 175.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -68.94 -45.8 69.82 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.664 1.186 . . . . 0.0 110.929 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -38.47 69.94 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 118.868 -0.587 . . . . 0.0 112.193 172.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.01 -50.2 67.22 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.405 1.002 . . . . 0.0 111.701 177.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.84 -46.49 78.16 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 122.804 0.442 . . . . 0.0 110.368 174.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -59.05 -44.22 96.44 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 124.532 1.063 . . . . 0.0 115.009 175.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -60.9 -46.0 92.38 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.532 1.166 . . . . 0.0 111.102 175.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 92.1 t -62.33 -37.18 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 O-C-N 121.036 -1.04 . . . . 0.0 112.912 172.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 56.8 tp -57.96 -56.28 24.05 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 119.05 0.841 . . . . 0.0 110.469 171.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.49 HG12 ' HB3' ' B' ' 130' ' ' TYR . 17.8 m -64.16 -28.43 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-N 120.011 1.278 . . . . 0.0 113.421 -178.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 4.7 m -53.72 -63.83 1.02 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 117.933 -1.032 . . . . 0.0 111.402 168.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 3.1 p -51.38 -36.89 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 120.145 1.339 . . . . 0.0 113.773 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.18 -48.33 78.83 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 121.458 -0.776 . . . . 0.0 110.816 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.98 12.66 0.5 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.201 1.401 . . . . 0.0 113.908 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -118.36 -53.27 2.35 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.903 1.281 . . . . 0.0 110.107 177.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -69.79 -31.3 69.13 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.529 -0.732 . . . . 0.0 112.508 172.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -119.0 32.73 5.98 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.633 1.573 . . . . 0.0 110.965 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -56.99 -31.64 61.69 Favored Glycine 0 CA--C 1.538 1.525 0 O-C-N 120.491 -1.381 . . . . 0.0 114.661 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -66.89 -16.07 64.07 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.697 1.199 . . . . 0.0 113.91 172.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -109.6 14.72 23.31 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.222 2.209 . . . . 0.0 111.809 -174.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -65.67 83.54 0.07 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.552 1.541 . . . . 0.0 112.556 -177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.78 158.07 84.38 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 124.319 1.048 . . . . 0.0 112.306 -178.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . 0.492 ' CB ' ' HD3' ' B' ' 125' ' ' PRO 0.386 2.9 Cg_exo -27.73 -92.21 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.088 1 C-N-CA 127.105 5.203 . . . . 0.0 118.622 -169.298 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . 0.492 ' HD3' ' CB ' ' B' ' 124' ' ' PRO . 23.1 Cg_exo -82.61 25.69 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 CA-C-N 124.455 2.627 . . . . 0.0 116.975 169.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 6.2 p -51.51 -41.22 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 CA-C-N 122.473 2.397 . . . . 0.0 114.559 -168.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -59.36 -48.17 82.65 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.306 0.957 . . . . 0.0 111.296 173.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.27 -37.28 86.65 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.425 1.09 . . . . 0.0 112.835 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.32 -51.85 64.3 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.778 0.831 . . . . 0.0 110.205 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.49 ' HB3' HG12 ' B' ' 111' ' ' VAL . 34.2 m-85 -57.65 -46.97 83.52 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 118.596 -0.716 . . . . 0.0 112.056 169.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -56.68 -33.07 66.06 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.904 1.229 . . . . 0.0 113.188 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -68.11 -45.64 73.12 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 120.449 1.477 . . . . 0.0 113.742 172.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 4.1 p -67.29 -38.1 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 CA-C-N 120.407 1.458 . . . . 0.0 111.627 173.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 25.4 t -60.54 -44.9 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.608 1.163 . . . . 0.0 111.581 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.82 -42.44 97.66 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.701 0.801 . . . . 0.0 112.079 172.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.32 -46.37 86.81 Favored Glycine 0 N--CA 1.473 1.101 0 O-C-N 121.785 -0.572 . . . . 0.0 112.897 172.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 50.2 t -66.3 -44.23 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.001 0.92 . . . . 0.0 111.792 176.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.08 -47.96 76.99 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.035 0.834 . . . . 0.0 111.744 173.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -65.13 -38.09 89.53 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.964 0.906 . . . . 0.0 113.082 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.12 -43.31 92.36 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.244 1.017 . . . . 0.0 112.527 174.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.24 -38.25 89.77 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.932 -1.105 . . . . 0.0 111.975 171.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.87 -5.35 16.25 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 170.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -55.88 -44.85 78.55 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 119.777 -1.827 . . . . 0.0 112.88 -175.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -66.25 -2.93 4.85 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 CA--C 1.543 0.676 0 C-N-CA 124.184 0.993 . . . . 0.0 111.514 -178.834 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.509 2.482 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 37.0 mt -144.87 -171.55 3.65 Favored 'General case' 0 N--CA 1.484 1.275 0 O-C-N 120.242 -1.536 . . . . 0.0 111.946 -172.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.45 154.75 77.37 Favored Pre-proline 0 N--CA 1.489 1.479 0 C-N-CA 125.466 1.506 . . . . 0.0 111.778 -168.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -76.46 -51.48 0.1 OUTLIER 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.218 1.945 . . . . 0.0 114.755 -168.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.53 84.99 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.508 -0.745 . . . . 0.0 112.25 -176.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.62 -40.7 92.86 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.514 0.725 . . . . 0.0 111.877 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -56.26 -46.01 79.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 117.993 -1.004 . . . . 0.0 111.849 170.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 63.2 m -56.58 -42.42 78.63 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 120.163 1.347 . . . . 0.0 112.11 176.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -66.74 -35.66 80.63 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.106 -0.996 . . . . 0.0 112.68 174.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.56 -43.53 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 CA-C-N 119.264 0.938 . . . . 0.0 111.231 168.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -60.18 -45.81 91.85 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.447 1.021 . . . . 0.0 111.111 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.01 -50.34 74.47 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.265 0.626 . . . . 0.0 111.169 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.17 -57.84 11.07 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.403 0.681 . . . . 0.0 112.394 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -66.31 -24.03 66.47 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.424 -0.797 . . . . 0.0 112.937 -177.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.83 -50.58 64.45 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 124.853 1.216 . . . . 0.0 113.234 171.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -26.13 63.17 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 118.637 1.218 . . . . 0.0 112.483 175.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 88.5 t -68.12 -20.32 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.467 1.107 . . . . 0.0 113.23 172.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.2 141.18 4.36 Favored Glycine 0 CA--C 1.542 1.755 0 C-N-CA 124.785 1.183 . . . . 0.0 114.656 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 60.97 -35.2 0.09 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 128.273 2.629 . . . . 0.0 116.542 -169.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -77.59 -14.0 59.76 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.864 1.265 . . . . 0.0 113.605 173.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.46 -48.06 62.93 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.222 1.409 . . . . 0.0 114.313 -166.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.99 -35.46 92.11 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 121.776 -0.577 . . . . 0.0 113.573 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.51 -44.88 89.53 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.901 0.88 . . . . 0.0 110.578 173.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -66.51 -34.99 79.16 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.61 -48.92 77.97 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 118.996 0.817 . . . . 0.0 112.384 170.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.76 91.78 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.75 0.82 . . . . 0.0 112.118 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.98 -40.49 95.05 Favored 'General case' 0 C--O 1.223 -0.304 0 O-C-N 121.336 -0.853 . . . . 0.0 113.123 173.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.74 -38.01 88.84 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 120.839 1.654 . . . . 0.0 112.302 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -64.44 -50.76 66.28 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.22 1.008 . . . . 0.0 111.215 172.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -60.28 -43.51 96.18 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.432 -0.792 . . . . 0.0 111.701 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -60.69 -40.4 92.05 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.282 1.433 . . . . 0.0 111.542 173.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 13.4 tmm? -61.41 -51.45 68.68 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.404 1.002 . . . . 0.0 111.937 171.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -63.16 -41.18 99.21 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.41 -32.58 62.72 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.914 0.779 . . . . 0.0 112.911 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' D' ' 128' ' ' ALA . 71.1 m -78.12 -18.53 55.54 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -146.94 69.17 11.88 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 123.615 0.766 . . . . 0.0 110.495 -170.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -62.04 -13.76 33.39 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.584 2.856 . . . . 0.0 115.433 -166.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 2.2 p -54.07 -24.96 19.25 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.492 1.517 . . . . 0.0 114.578 163.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 72.7 p -74.72 -35.6 62.69 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.124 1.329 . . . . 0.0 113.152 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -56.08 -34.73 66.26 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 121.305 -0.872 . . . . 0.0 113.298 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 2.4 t -55.69 -26.86 47.06 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' TYR . . . . . 0.499 ' CZ ' HG22 ' C' ' 93' ' ' VAL . 0.6 OUTLIER -63.4 -21.85 66.53 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -174.765 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 30.67 59.02 0.98 Allowed Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 126.878 2.071 . . . . 0.0 113.378 -177.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -46.67 -57.08 2.47 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 124.178 3.252 . . . . 0.0 115.064 -161.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -161.18 17.73 0.11 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.605 1.562 . . . . 0.0 112.699 161.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.68 -176.85 4.55 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.122 1.369 . . . . 0.0 113.327 -162.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -130.78 144.11 51.22 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.451 1.5 . . . . 0.0 109.183 175.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.9 27.81 4.56 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.605 1.562 . . . . 0.0 112.834 -163.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 97.6 p -57.4 167.78 0.91 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.002 1.321 . . . . 0.0 113.763 170.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -57.84 114.51 2.34 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.051 -1.031 . . . . 0.0 110.971 174.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.84 5.38 62.82 Favored Glycine 0 CA--C 1.538 1.511 0 CA-C-O 118.709 -1.051 . . . . 0.0 115.589 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.49 116.28 3.55 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.443 1.621 . . . . 0.0 113.783 -173.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.61 -33.56 64.08 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.219 1.008 . . . . 0.0 113.259 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -62.48 -38.63 90.61 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.664 0.786 . . . . 0.0 112.147 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 65.4 t -69.03 -36.03 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.654 0.782 . . . . 0.0 111.311 173.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -63.99 -45.66 88.04 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.509 1.049 . . . . 0.0 111.621 175.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.21 -51.67 57.39 Favored Glycine 0 N--CA 1.471 0.996 0 C-N-CA 124.052 0.834 . . . . 0.0 112.46 174.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -55.69 -44.22 77.16 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.952 0.901 . . . . 0.0 111.974 173.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -57.93 -49.08 78.02 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 120.894 -1.129 . . . . 0.0 113.689 174.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -55.58 -43.69 76.21 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.097 0.959 . . . . 0.0 112.258 171.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -50.35 68.65 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 118.229 -0.891 . . . . 0.0 112.702 175.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 69.0 t -56.03 -43.52 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 120.352 1.433 . . . . 0.0 111.415 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.65 -49.81 73.68 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 175.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -59.85 -35.9 75.75 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.528 -0.733 . . . . 0.0 112.269 176.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.08 93.56 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 121.512 -0.742 . . . . 0.0 112.82 171.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mt -65.47 -41.32 93.46 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 118.664 -0.684 . . . . 0.0 111.802 170.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 48.6 m -59.01 -45.84 89.68 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.959 1.254 . . . . 0.0 111.624 171.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -61.45 -39.92 92.58 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.503 1.921 . . . . 0.0 112.402 175.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.08 -58.23 9.55 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.694 0.679 . . . . 0.0 110.29 167.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 74.4 t -52.09 -41.44 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 125.123 1.369 . . . . 0.0 112.943 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.33 -22.92 65.58 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.401 1.48 . . . . 0.0 114.794 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -135.93 23.97 3.32 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.303 1.441 . . . . 0.0 112.351 -171.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.71 -23.08 25.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 N-CA-C 117.001 2.223 . . . . 0.0 117.001 -154.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.92 -6.11 39.91 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 120.205 1.366 . . . . 0.0 114.314 172.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -119.69 3.24 11.16 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.706 2.402 . . . . 0.0 112.451 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -62.39 -17.06 0.38 Allowed Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 117.995 2.591 . . . . 0.0 117.995 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . 0.514 ' HA ' HG13 ' C' ' 135' ' ' VAL . 87.3 Cg_exo -46.23 -42.87 21.68 Favored 'Trans proline' 0 C--N 1.358 1.051 0 CA-C-N 123.881 2.422 . . . . 0.0 113.996 167.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -75.92 -50.4 15.09 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.126 0.57 . . . . 0.0 110.753 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.63 -16.28 63.79 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -170.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 84.2 mt -101.36 5.65 42.33 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.055 1.342 . . . . 0.0 113.106 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 14.4 t -57.62 -38.01 74.27 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.719 -1.238 . . . . 0.0 113.514 -177.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.49 -26.14 60.83 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.898 1.226 . . . . 0.0 113.495 174.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 mt -89.0 -34.13 16.94 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.536 1.134 . . . . 0.0 110.709 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 13.1 t -57.94 -45.92 85.87 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 117.976 -1.012 . . . . 0.0 111.165 163.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -55.04 -51.13 67.27 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.489 1.495 . . . . 0.0 112.569 172.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.38 -53.39 29.56 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.385 0.674 . . . . 0.0 111.145 171.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -18.42 61.2 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -178.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.25 -11.64 12.57 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 121.128 1.785 . . . . 0.0 114.309 -170.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.4 -5.13 2.61 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.336 1.454 . . . . 0.0 113.96 178.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -129.98 -42.49 1.24 Allowed 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.48 -54.76 2.6 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 23.1 mtm105 46.39 49.1 13.38 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 126.234 1.814 . . . . 0.0 114.443 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . 0.499 HG22 ' CZ ' ' C' ' 42' ' ' TYR . 89.9 t -86.0 139.19 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.75 0.82 . . . . 0.0 111.275 177.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -41.69 127.94 2.44 Favored Pre-proline 0 CA--C 1.554 1.104 0 C-N-CA 127.929 2.492 . . . . 0.0 113.88 168.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -50.22 -15.97 1.65 Allowed 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 125.272 3.981 . . . . 0.0 117.659 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 9.8 p -48.34 -36.06 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.74 1.155 . . . . 0.0 112.325 169.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -66.1 -38.34 88.0 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.416 -0.802 . . . . 0.0 112.686 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -50.41 72.9 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.292 0.951 . . . . 0.0 110.266 172.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -54.79 -48.68 72.41 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.829 0.852 . . . . 0.0 110.412 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.8 -57.21 13.63 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.843 0.857 . . . . 0.0 112.286 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -41.28 87.14 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.008 0.822 . . . . 0.0 112.072 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 70.7 m -68.46 -43.46 76.94 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.201 0.91 . . . . 0.0 112.929 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -46.19 91.37 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.793 -0.567 . . . . 0.0 110.755 172.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 93.4 m -62.76 -39.58 94.58 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-O 117.88 -1.057 . . . . 0.0 111.721 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 23.1 mt -56.24 -56.28 22.95 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 120.57 1.532 . . . . 0.0 111.46 172.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 8.2 mt -48.15 -49.39 32.59 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.098 0.863 . . . . 0.0 111.248 176.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.12 -46.27 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 123.777 0.831 . . . . 0.0 112.434 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 86.2 m -65.18 -42.75 93.36 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.379 -0.825 . . . . 0.0 112.422 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.21 -47.46 83.41 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.228 0.922 . . . . 0.0 109.589 175.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.62 -17.09 64.64 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.7 -12.52 47.5 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.313 0.96 . . . . 0.0 113.217 169.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -132.21 -13.9 3.05 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -175.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 11.2 mp -104.8 155.12 37.99 Favored Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 125.264 1.426 . . . . 0.0 110.845 177.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -52.94 -37.04 77.46 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 124.111 3.207 . . . . 0.0 115.973 -170.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.28 -33.9 0.1 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.96 0.904 . . . . 0.0 113.281 173.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 63.8 -4.32 0.36 Allowed 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.57 29.0 2.68 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.527 1.531 . . . . 0.0 111.306 -177.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 2.6 p -54.15 166.11 0.71 Allowed Pre-proline 0 N--CA 1.478 0.959 0 O-C-N 121.361 -0.837 . . . . 0.0 110.289 172.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -49.06 -38.12 39.23 Favored 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 122.053 1.835 . . . . 0.0 115.447 174.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.97 -53.28 6.89 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.819 0.342 . . . . 0.0 111.359 172.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.68 -34.1 65.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 O-C-N 121.177 -0.952 . . . . 0.0 112.165 -168.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -64.99 -51.13 63.38 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 120.833 1.651 . . . . 0.0 112.145 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.9 -44.35 86.73 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 117.834 0.288 . . . . 0.0 110.784 173.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 49.4 m -58.33 -56.64 19.48 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.008 0.523 . . . . 0.0 112.119 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -75.05 -42.36 57.26 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.561 0.745 . . . . 0.0 111.843 -174.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -60.66 -51.18 70.48 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.757 1.162 . . . . 0.0 111.476 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . 0.286 0.0 OUTLIER -71.1 -28.26 64.19 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 178.709 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -64.5 -50.78 66.05 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 119.843 1.201 . . . . 0.0 111.445 170.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.65 -36.54 81.1 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.831 0.742 . . . . 0.0 111.423 175.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.96 -54.52 46.0 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 118.457 -0.783 . . . . 0.0 111.313 170.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 68.0 m -60.74 -40.17 91.4 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 120.339 1.427 . . . . 0.0 114.1 177.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 55.9 t -55.65 -45.36 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.493 1.042 . . . . 0.0 110.43 171.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 68.7 m -74.06 -37.35 64.29 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 95.0 m -53.05 -45.1 67.92 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 120.298 1.408 . . . . 0.0 110.209 167.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 135' ' ' VAL . . . . . 0.514 HG13 ' HA ' ' C' ' 77' ' ' PRO . 20.2 t -67.41 -45.64 85.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 124.289 1.036 . . . . 0.0 113.083 175.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -45.56 93.41 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.7 1.137 . . . . 0.0 111.968 176.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 91.7 m -66.6 -31.51 72.26 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.455 1.502 . . . . 0.0 113.245 175.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 N--CA 1.47 0.569 0 C-N-CA 123.907 0.883 . . . . 0.0 111.011 172.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.326 2.5 p . . . . . 0 N--CA 1.514 2.732 0 CA-C-O 117.077 -1.439 . . . . 0.0 113.002 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 20.77 78.97 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 127.932 2.493 . . . . 0.0 116.151 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.35 160.82 18.11 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.938 -0.476 . . . . 0.0 111.027 175.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 5.5 p -64.86 154.28 86.29 Favored Pre-proline 0 N--CA 1.478 0.946 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.446 164.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.49 -35.64 85.97 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.48 2.12 . . . . 0.0 114.09 174.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.2 -43.6 67.06 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.478 0.711 . . . . 0.0 111.824 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.48 -38.53 84.54 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.324 -0.86 . . . . 0.0 112.139 175.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -53.65 -49.65 67.45 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.283 1.433 . . . . 0.0 110.927 168.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 19.7 t -59.65 -47.07 87.07 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 117.982 0.355 . . . . 0.0 111.621 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.02 -50.58 68.7 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.044 0.938 . . . . 0.0 113.469 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.43 -57.55 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.235 0.47 . . . . 0.0 111.602 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 15.0 m -70.07 -34.06 72.7 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.023 -1.048 . . . . 0.0 112.938 -168.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.56 -38.3 89.54 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.782 1.174 . . . . 0.0 112.455 175.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.28 -30.94 63.76 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.48 -0.763 . . . . 0.0 112.1 174.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -36.92 83.66 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.154 -0.966 . . . . 0.0 112.87 166.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.93 -39.41 91.7 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.893 1.235 . . . . 0.0 114.172 175.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -89.98 -13.33 36.36 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 176.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.89 146.09 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 124.049 0.94 . . . . 0.0 113.432 -174.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -95.19 76.73 3.46 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.832 1.253 . . . . 0.0 109.448 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 95.7 t -47.65 -39.17 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -165.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -63.7 -60.38 3.38 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.965 0.906 . . . . 0.0 112.302 174.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -69.68 -49.58 52.2 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.449 0.7 . . . . 0.0 111.356 -174.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -27.85 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 124.395 1.078 . . . . 0.0 112.291 179.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.05 -42.27 8.91 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-N 119.24 0.927 . . . . 0.0 112.267 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.39 -41.31 93.12 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 118.014 0.907 . . . . 0.0 111.976 166.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -62.65 -55.62 25.25 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 118.159 0.979 . . . . 0.0 112.568 167.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.94 -42.23 65.24 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 121.346 1.884 . . . . 0.0 113.417 -177.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 28.0 tp -78.38 -54.63 5.98 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.737 0.815 . . . . 0.0 111.951 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.7 -44.78 97.01 Favored Glycine 0 CA--C 1.527 0.818 0 O-C-N 120.48 -1.388 . . . . 0.0 112.876 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -71.02 -10.3 59.52 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.487 1.515 . . . . 0.0 113.157 174.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -77.62 -44.48 28.13 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.274 1.397 . . . . 0.0 109.878 161.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.95 -25.44 67.88 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 120.526 -1.359 . . . . 0.0 113.336 175.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 5.0 m -75.18 -17.29 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-N 120.566 1.53 . . . . 0.0 115.068 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.56 2.97 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 CA-C-N 121.445 1.93 . . . . 0.0 113.778 -177.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 48.51 42.72 1.31 Allowed Pre-proline 0 CA--C 1.562 1.418 0 C-N-CA 125.884 1.674 . . . . 0.0 115.276 -163.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -75.63 168.06 25.17 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.566 2.844 . . . . 0.0 113.948 -173.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -24.67 65.08 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.617 1.339 . . . . 0.0 114.617 170.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 26.0 p -61.1 -23.9 65.84 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 120.478 -1.388 . . . . 0.0 113.683 171.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -61.47 -9.05 4.86 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 120.886 -1.134 . . . . 0.0 113.443 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -53.47 -33.42 54.14 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 118.929 -2.357 . . . . 0.0 113.348 170.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -88.25 9.17 23.95 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -49.88 -29.07 7.48 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 175.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -55.25 -14.04 1.59 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.14 1.776 . . . . 0.0 115.178 171.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 50.2 m -108.09 16.06 23.68 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.89 2.076 . . . . 0.0 113.386 176.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -117.6 4.8 12.36 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.691 1.196 . . . . 0.0 113.644 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.97 -35.48 2.12 Favored Glycine 0 CA--C 1.535 1.309 0 N-CA-C 117.105 1.602 . . . . 0.0 117.105 162.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -141.44 -91.04 0.15 Allowed 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 119.277 1.539 . . . . 0.0 111.72 -176.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 43.99 1.04 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 120.143 3.386 . . . . 0.0 120.143 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -59.76 -21.57 60.93 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 120.37 1.441 . . . . 0.0 114.231 -167.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 62.9 p -124.35 157.45 64.67 Favored Pre-proline 0 N--CA 1.47 0.562 0 C-N-CA 125.287 1.435 . . . . 0.0 110.545 164.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -55.84 -40.52 84.65 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.867 2.378 . . . . 0.0 114.678 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.83 -39.63 92.46 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.628 -0.67 . . . . 0.0 111.958 175.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.37 99.25 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.82 -25.97 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-N 119.808 1.185 . . . . 0.0 113.385 178.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.6 -36.75 43.86 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.148 0.885 . . . . 0.0 112.901 174.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.19 -27.72 19.91 Favored Glycine 0 CA--C 1.536 1.344 0 N-CA-C 115.103 0.801 . . . . 0.0 115.103 -174.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.15 133.41 84.26 Favored Pre-proline 0 CA--C 1.557 1.222 0 CA-C-N 118.446 1.123 . . . . 0.0 113.528 -174.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.23 -32.71 16.12 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.741 2.294 . . . . 0.0 114.0 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -59.68 -45.74 91.16 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 120.444 1.474 . . . . 0.0 111.012 173.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.08 -37.16 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 119.403 1.001 . . . . 0.0 112.743 174.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -68.96 -49.48 57.58 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 120.042 1.292 . . . . 0.0 113.029 174.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.63 98.48 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.963 0.905 . . . . 0.0 112.463 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -68.16 -33.45 74.5 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.923 -1.111 . . . . 0.0 111.791 174.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.18 -48.68 58.54 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.997 1.761 . . . . 0.0 113.467 165.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -59.81 -42.62 93.87 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 117.865 0.833 . . . . 0.0 112.01 171.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -62.03 -54.41 41.86 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.302 0.955 . . . . 0.0 113.128 175.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 12.8 p -57.77 -46.88 86.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 119.859 1.209 . . . . 0.0 112.118 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 tt -69.19 -39.24 78.79 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.168 -0.957 . . . . 0.0 111.691 177.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.83 -39.51 47.69 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.357 1.456 . . . . 0.0 113.788 171.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.44 -50.34 70.15 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.342 1.071 . . . . 0.0 111.915 168.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -59.09 -34.94 72.58 Favored 'General case' 0 CA--C 1.553 1.086 0 O-C-N 120.411 -1.431 . . . . 0.0 114.117 175.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 98.3 p -74.51 -37.72 63.02 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.262 -1.524 . . . . 0.0 113.445 173.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -56.98 -32.48 66.12 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.403 1.001 . . . . 0.0 111.696 164.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.1 -60.33 9.17 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 123.699 0.666 . . . . 0.0 111.857 170.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 mt -58.66 -26.85 64.22 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.82 -18.64 43.29 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 173.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -140.4 34.48 1.86 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.942 1.297 . . . . 0.0 113.234 -170.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 84.8 mt -55.87 -21.66 21.19 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -57.69 -33.13 68.04 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.122 1.369 . . . . 0.0 114.435 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -162.15 65.49 0.23 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.423 1.01 . . . . 0.0 113.166 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 98.5 mt -45.8 -46.6 15.49 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.838 1.255 . . . . 0.0 113.758 -175.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -4.37 3.56 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 178.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.85 -10.36 52.68 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 125.433 1.492 . . . . 0.0 114.502 172.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 3.4 m -119.06 -28.7 5.44 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.952 1.301 . . . . 0.0 111.982 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -90.48 -4.68 56.79 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.257 1.023 . . . . 0.0 113.667 -177.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.92 -37.95 61.33 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 115.67 1.729 . . . . 0.0 115.67 -165.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 19.4 p -62.98 -41.7 99.63 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.065 0.946 . . . . 0.0 112.29 173.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 50.8 mt -66.98 -42.67 84.67 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 124.188 0.995 . . . . 0.0 110.956 171.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 7.0 m -61.86 -37.97 86.52 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.41 1.459 . . . . 0.0 112.51 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.66 -51.31 65.7 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.939 0.896 . . . . 0.0 111.949 171.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 21.6 tp -50.3 -52.77 33.75 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.246 -0.909 . . . . 0.0 111.354 171.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -71.34 9.02 0.86 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.211 1.404 . . . . 0.0 114.762 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 43.7 t -131.74 -69.99 0.59 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.241 1.016 . . . . 0.0 110.699 173.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.72 -16.73 64.05 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.196 1.398 . . . . 0.0 114.295 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.12 -37.08 5.67 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.257 1.023 . . . . 0.0 112.574 166.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 12.5 mt -133.61 51.62 2.13 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 124.644 1.178 . . . . 0.0 113.745 -166.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -62.09 25.69 0.01 OUTLIER 'General case' 0 CA--C 1.567 1.621 0 C-N-CA 127.24 2.216 . . . . 0.0 116.753 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 9.3 m -55.63 155.98 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.767 1.627 . . . . 0.0 113.372 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -56.33 136.67 75.7 Favored Pre-proline 0 CA--C 1.558 1.259 0 O-C-N 120.649 -1.282 . . . . 0.0 113.257 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -44.65 -32.8 6.18 Favored 'Trans proline' 0 CA--C 1.545 1.07 0 C-N-CA 124.077 3.185 . . . . 0.0 116.206 173.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.38 -32.26 69.98 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 119.979 -1.7 . . . . 0.0 113.029 175.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -57.76 -38.23 75.02 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.035 -1.04 . . . . 0.0 111.697 175.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -68.62 -45.86 70.78 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.669 1.188 . . . . 0.0 111.012 174.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -38.39 69.9 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 118.847 -0.596 . . . . 0.0 112.229 172.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -49.96 67.78 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.509 1.049 . . . . 0.0 111.64 177.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.07 -46.6 78.94 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 122.799 0.44 . . . . 0.0 110.415 174.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.92 -44.27 96.21 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.628 1.109 . . . . 0.0 115.025 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.6 -46.06 91.65 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.647 1.224 . . . . 0.0 111.282 174.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.59 -37.08 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 O-C-N 121.203 -0.936 . . . . 0.0 113.039 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 57.0 tp -57.38 -57.07 14.28 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.187 0.903 . . . . 0.0 110.425 171.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 111' ' ' VAL . . . . . 0.479 HG12 ' HB3' ' D' ' 130' ' ' TYR . 16.9 m -63.45 -28.76 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 119.824 1.193 . . . . 0.0 113.432 -178.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 6.3 m -53.66 -64.09 0.94 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 117.766 -1.111 . . . . 0.0 111.41 167.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 2.9 p -51.46 -36.84 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 119.994 1.27 . . . . 0.0 113.392 -173.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.12 -47.82 81.15 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.59 -0.694 . . . . 0.0 110.824 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.54 12.99 0.52 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.119 1.367 . . . . 0.0 113.805 173.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -118.41 -53.1 2.35 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.873 1.269 . . . . 0.0 110.163 177.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 -69.75 -31.38 69.31 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.599 -0.688 . . . . 0.0 112.578 172.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -119.05 32.87 5.9 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.57 1.548 . . . . 0.0 110.885 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -57.03 -31.73 61.92 Favored Glycine 0 CA--C 1.539 1.541 0 O-C-N 120.755 -1.216 . . . . 0.0 114.651 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -66.7 -16.07 63.96 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.702 1.201 . . . . 0.0 113.851 171.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -109.72 14.75 23.18 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 127.198 2.199 . . . . 0.0 111.711 -174.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -65.55 83.58 0.06 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.52 1.528 . . . . 0.0 112.547 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.91 158.22 84.22 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 124.32 1.048 . . . . 0.0 112.216 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . 0.496 ' CB ' ' HD3' ' D' ' 125' ' ' PRO 0.386 3.3 Cg_exo -27.96 -91.88 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.028 1 C-N-CA 126.971 5.114 . . . . 0.0 118.544 -169.28 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' D' D ' 125' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' D' ' 124' ' ' PRO . 23.5 Cg_exo -83.03 25.9 0.67 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 CA-C-N 124.513 2.647 . . . . 0.0 116.928 169.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 6.2 p -51.79 -41.15 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 CA-C-N 122.272 2.306 . . . . 0.0 114.448 -168.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -59.18 -48.21 82.44 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.31 0.959 . . . . 0.0 111.366 173.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 128' ' ' ALA . . . . . 0.403 ' HB2' ' HA ' ' C' ' 35' ' ' SER . . . -63.46 -37.13 86.13 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.251 1.021 . . . . 0.0 112.882 178.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.36 -51.72 64.75 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.581 0.752 . . . . 0.0 110.364 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 130' ' ' TYR . . . . . 0.479 ' HB3' HG12 ' D' ' 111' ' ' VAL . 34.8 m-85 -57.66 -46.96 83.57 Favored 'General case' 0 C--O 1.222 -0.346 0 O-C-N 121.43 -0.793 . . . . 0.0 112.059 169.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -56.65 -33.1 66.01 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 119.948 1.249 . . . . 0.0 113.174 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -68.11 -45.28 74.11 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 120.435 1.47 . . . . 0.0 113.975 172.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 4.3 p -67.49 -38.46 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-N 120.342 1.428 . . . . 0.0 111.668 173.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.33 -45.1 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 124.739 1.216 . . . . 0.0 111.656 175.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.63 97.84 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.89 0.876 . . . . 0.0 112.063 172.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.19 -46.58 85.44 Favored Glycine 0 N--CA 1.474 1.188 0 O-C-N 121.785 -0.572 . . . . 0.0 112.943 172.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 51.5 t -65.98 -44.3 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.028 0.931 . . . . 0.0 111.907 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.14 -47.96 77.16 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.148 0.886 . . . . 0.0 111.584 173.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -65.04 -38.19 90.05 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.088 0.955 . . . . 0.0 113.003 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.25 -43.29 91.81 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.114 0.966 . . . . 0.0 112.528 175.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.18 -38.15 89.61 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.908 -1.12 . . . . 0.0 112.053 171.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.94 -5.27 16.2 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 170.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -55.96 -44.84 78.86 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 119.853 -1.78 . . . . 0.0 112.884 -175.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -66.19 -3.1 5.02 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -77.49 -21.84 52.19 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.202 1.001 . . . . 0.0 111.689 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 73.0 m80 . . . . . 0 C--O 1.256 1.407 0 C-N-CA 126.191 1.796 . . . . 0.0 112.575 175.544 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.5 m . . . . . 0 N--CA 1.515 2.823 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mp -142.64 -161.71 1.29 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.344 1.458 . . . . 0.0 111.165 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.9 p -115.51 153.09 47.7 Favored Pre-proline 0 N--CA 1.483 1.186 0 CA-C-N 120.178 1.354 . . . . 0.0 112.755 -172.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.33 -35.89 22.5 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.002 1.802 . . . . 0.0 113.763 -162.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.15 77.51 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 177.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.32 -44.39 79.25 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.041 0.837 . . . . 0.0 111.314 174.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -54.64 -48.19 72.58 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.603 0.638 . . . . 0.0 110.956 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.1 m -54.07 -47.93 71.15 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.77 0.828 . . . . 0.0 112.295 176.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -78.39 -28.19 46.9 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.1 -48.89 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-N 119.501 1.046 . . . . 0.0 110.2 167.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -58.06 -47.02 84.43 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.92 0.782 . . . . 0.0 111.27 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.89 -53.45 58.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.283 0.633 . . . . 0.0 112.101 177.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.53 -52.12 66.99 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.873 0.869 . . . . 0.0 112.061 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -65.83 -26.74 67.81 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.592 -0.692 . . . . 0.0 112.844 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.28 -40.83 97.94 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.566 1.079 . . . . 0.0 113.582 169.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -67.84 -37.75 82.29 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 118.551 1.175 . . . . 0.0 111.533 173.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 67.0 t -67.45 -24.5 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.997 1.719 . . . . 0.0 113.666 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.18 121.91 1.1 Allowed Glycine 0 CA--C 1.541 1.682 0 C-N-CA 125.103 1.335 . . . . 0.0 114.054 175.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 84.48 -31.89 0.07 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 129.658 3.183 . . . . 0.0 114.562 -175.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -88.08 -6.35 57.98 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.466 1.106 . . . . 0.0 113.158 170.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.43 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -46.4 -53.04 11.79 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.835 1.654 . . . . 0.0 113.662 -176.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.31 -36.58 89.67 Favored Glycine 0 N--CA 1.471 0.969 0 O-C-N 121.676 -0.64 . . . . 0.0 114.013 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.6 -43.75 84.93 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.329 1.452 . . . . 0.0 111.773 170.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -74.28 -36.22 63.78 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.717 -1.239 . . . . 0.0 113.566 176.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.66 -49.05 72.71 Favored Glycine 0 CA--C 1.533 1.198 0 CA-C-N 119.419 1.009 . . . . 0.0 111.54 168.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.8 -52.07 66.99 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.287 1.035 . . . . 0.0 111.752 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -64.71 -33.97 77.21 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.222 0.919 . . . . 0.0 112.312 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.1 -38.19 78.8 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.861 -1.149 . . . . 0.0 112.488 175.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.0 mt -62.6 -47.99 81.39 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.9 0.88 . . . . 0.0 111.091 169.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -59.03 -45.96 89.41 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.041 0.936 . . . . 0.0 111.512 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -51.36 -55.6 17.61 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.814 1.246 . . . . 0.0 111.874 169.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -54.32 -41.67 69.26 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.319 1.048 . . . . 0.0 112.724 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -65.31 -24.64 67.33 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 176.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -115.09 -13.19 11.85 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -173.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.1 p -75.96 -40.12 54.6 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.073 0.949 . . . . 0.0 111.768 161.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -131.83 81.57 62.68 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 126.0 1.72 . . . . 0.0 110.94 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -52.2 -15.88 4.12 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 124.618 3.546 . . . . 0.0 116.903 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.1 p -53.58 -44.32 69.26 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.41 1.084 . . . . 0.0 112.189 167.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.7 p -59.71 -27.85 66.82 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -177.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -53.3 -35.35 60.03 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.444 1.02 . . . . 0.0 112.133 170.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.58 -20.74 66.43 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 178.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.43 -18.26 65.26 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.447 -0.783 . . . . 0.0 113.07 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.2 79.06 10.02 Favored Pre-proline 0 CA--C 1.552 1.047 0 CA-C-N 119.412 1.006 . . . . 0.0 112.217 174.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.48 24.3 0.28 Allowed 'Trans proline' 0 CA--C 1.553 1.429 0 C-N-CA 125.079 3.853 . . . . 0.0 115.767 -168.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.16 -11.3 4.69 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.927 1.691 . . . . 0.0 113.063 176.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -76.91 123.58 26.49 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.641 0.776 . . . . 0.0 112.211 -168.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -81.85 62.88 5.85 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.19 0.996 . . . . 0.0 111.621 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 pp -65.55 22.32 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 126.735 2.014 . . . . 0.0 115.768 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 m -58.13 160.32 5.06 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.22 1.808 . . . . 0.0 112.855 173.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -57.9 123.94 17.54 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.066 -1.021 . . . . 0.0 110.971 173.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.09 7.1 66.13 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-O 119.048 -0.862 . . . . 0.0 115.216 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.8 t -53.84 108.17 0.33 Allowed 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.058 1.429 . . . . 0.0 114.276 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.9 -32.93 64.18 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.164 0.986 . . . . 0.0 112.516 170.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -66.03 -44.27 85.16 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.09 0.556 . . . . 0.0 111.337 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.07 -35.77 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.536 174.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -63.38 -47.02 83.79 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 120.217 1.371 . . . . 0.0 111.958 174.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.06 -51.57 56.02 Favored Glycine 0 N--CA 1.47 0.945 0 C-N-CA 124.191 0.901 . . . . 0.0 112.259 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -57.89 -41.78 83.29 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.777 -0.837 . . . . 0.0 111.496 173.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.95 -51.1 51.97 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 124.512 1.053 . . . . 0.0 113.712 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -54.48 -43.67 71.93 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 118.651 1.225 . . . . 0.0 112.391 172.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -65.93 -48.57 70.93 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.001 0.818 . . . . 0.0 112.307 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.8 t -54.7 -47.72 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 119.053 0.842 . . . . 0.0 111.033 172.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.43 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -67.75 -40.63 84.1 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -64.16 -37.31 87.01 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.233 -0.917 . . . . 0.0 111.875 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.11 -35.36 80.02 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.484 -0.76 . . . . 0.0 112.991 168.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mt -63.41 -45.28 91.71 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.224 0.92 . . . . 0.0 111.604 168.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.4 m -55.28 -45.87 76.18 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 120.286 1.403 . . . . 0.0 111.9 172.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -61.49 -43.98 97.9 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.996 1.319 . . . . 0.0 112.258 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.04 -50.51 70.74 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.53 -0.731 . . . . 0.0 111.412 170.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.99 -42.46 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.898 0.879 . . . . 0.0 112.055 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.91 -23.79 67.48 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 178.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -134.05 25.11 3.92 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.059 1.343 . . . . 0.0 112.699 -171.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.7 p -60.21 -25.6 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -169.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -71.99 -21.72 61.53 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 120.89 -1.131 . . . . 0.0 113.863 173.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -128.16 24.29 5.97 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 127.602 2.361 . . . . 0.0 111.95 -173.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.2 ttp -51.93 -36.14 27.89 Favored Pre-proline 0 CA--C 1.548 0.883 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -171.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.52 46.6 0.47 Allowed 'Trans proline' 0 CA--C 1.556 1.584 0 C-N-CA 124.403 3.402 . . . . 0.0 114.584 168.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -157.81 -39.05 0.07 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 128.588 2.755 . . . . 0.0 109.464 168.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.41 77.81 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.342 1.057 . . . . 0.0 113.833 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.9 mt -100.36 9.47 42.61 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -175.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 56.6 m -58.13 -31.81 67.54 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -177.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.41 70.26 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 120.849 -1.157 . . . . 0.0 112.973 171.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.2 mt -81.36 -35.04 31.33 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.259 1.023 . . . . 0.0 111.679 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 p -59.66 -43.7 93.83 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 118.727 -0.654 . . . . 0.0 110.458 167.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.65 -49.4 75.14 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.612 1.565 . . . . 0.0 112.385 173.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 tp -47.95 -67.19 0.3 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.723 1.209 . . . . 0.0 110.528 170.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -27.51 68.48 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -171.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.48 -41.7 69.01 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.773 0.829 . . . . 0.0 111.782 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -73.07 -45.55 56.66 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.429 0.692 . . . . 0.0 112.608 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.55 157.56 32.27 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.294 1.438 . . . . 0.0 112.216 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.9 mt 51.74 68.47 0.8 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.654 1.182 . . . . 0.0 113.102 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -63.06 13.52 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 118.042 2.608 . . . . 0.0 118.042 -170.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.0 t 25.37 86.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 129.524 3.13 . . . . 0.0 115.131 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -41.36 122.18 2.12 Favored Pre-proline 0 CA--C 1.549 0.911 0 C-N-CA 123.729 0.812 . . . . 0.0 111.099 164.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -40.8 -32.15 0.82 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 124.622 3.548 . . . . 0.0 116.014 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.4 p -50.56 -41.49 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 120.371 1.441 . . . . 0.0 111.484 174.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -74.36 -28.75 61.27 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 123.693 0.797 . . . . 0.0 111.349 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -57.32 -52.97 63.18 Favored 'General case' 0 C--N 1.344 0.346 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.081 162.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -56.83 -45.12 82.56 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.386 0.994 . . . . 0.0 110.291 -174.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.34 -61.15 2.68 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.251 1.02 . . . . 0.0 111.305 173.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 67.2 tp -57.75 -42.74 84.55 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.333 0.97 . . . . 0.0 112.162 -177.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.7 t -56.66 -53.64 55.31 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 124.757 1.223 . . . . 0.0 110.959 177.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -58.67 -46.83 86.35 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.937 0.495 . . . . 0.0 111.592 177.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 88.5 m -60.46 -39.96 89.45 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.77 0.828 . . . . 0.0 112.468 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.6 mt -61.59 -52.51 64.11 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 119.351 0.978 . . . . 0.0 110.664 173.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 17.9 mt -51.85 -47.49 64.39 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.526 0.73 . . . . 0.0 111.202 176.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.5 t -57.77 -50.13 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.21 1.004 . . . . 0.0 111.942 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.8 m -64.77 -37.05 86.3 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.21 0.914 . . . . 0.0 112.267 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.7 mt -64.03 -43.78 94.5 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.703 1.138 . . . . 0.0 111.954 172.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.86 -32.61 65.99 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 175.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.35 -6.13 22.65 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 175.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 -34.58 0.82 Allowed 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 -174.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.0 mp -67.21 158.4 81.77 Favored Pre-proline 0 CA--C 1.554 1.115 0 CA-C-N 119.338 0.972 . . . . 0.0 112.727 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -54.8 -32.99 79.39 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 123.927 3.084 . . . . 0.0 115.474 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.95 -53.39 0.2 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.537 1.135 . . . . 0.0 112.183 175.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 65.61 -32.03 0.15 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 127.135 2.174 . . . . 0.0 114.442 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -75.23 -5.23 43.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.011 1.725 . . . . 0.0 115.434 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.81 156.8 6.18 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 123.766 0.826 . . . . 0.0 111.01 -176.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.31 -46.35 22.1 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 121.271 1.314 . . . . 0.0 113.47 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.7 -12.31 60.39 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.5 t -104.3 -46.46 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 119.638 1.108 . . . . 0.0 111.801 175.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.578 ' CD2' HH21 ' B' ' 30' ' ' ARG . 4.1 t-80 -72.35 -40.23 67.53 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 121.234 1.834 . . . . 0.0 113.218 -175.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.93 -54.14 50.23 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.511 1.05 . . . . 0.0 110.321 166.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.4 t -49.9 -57.62 7.09 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.08 1.352 . . . . 0.0 113.438 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.63 -39.17 80.88 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 118.712 -0.661 . . . . 0.0 111.361 -176.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.42 -53.99 46.78 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.621 1.1 . . . . 0.0 112.022 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -33.3 75.52 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 119.082 -0.485 . . . . 0.0 111.269 178.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -62.71 -53.72 50.15 Favored 'General case' 0 CA--C 1.526 0.05 0 CA-C-N 119.123 0.874 . . . . 0.0 111.61 173.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 33.7 mt -60.89 -36.56 79.55 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.416 1.007 . . . . 0.0 112.175 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.14 -32.03 72.58 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.188 0.904 . . . . 0.0 113.411 171.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.7 m -77.31 -37.06 53.44 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.389 -1.445 . . . . 0.0 112.888 171.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.95 -51.64 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 119.135 0.879 . . . . 0.0 109.414 171.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 86.8 p -64.83 -40.64 95.52 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 118.238 -0.887 . . . . 0.0 113.196 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.3 m -48.94 -50.85 33.46 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.607 1.094 . . . . 0.0 111.203 169.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 91.6 t -65.88 -40.83 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 O-C-N 121.205 -0.935 . . . . 0.0 111.225 177.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -24.19 67.28 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 4.1 t -102.04 -17.25 16.15 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.687 1.195 . . . . 0.0 113.109 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 CA--C 1.545 0.761 0 C-N-CA 124.507 1.123 . . . . 0.0 112.372 165.652 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.301 2.4 p . . . . . 0 N--CA 1.51 2.529 0 CA-C-O 116.876 -1.535 . . . . 0.0 113.285 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 64.1 t60 13.5 85.36 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 128.145 2.578 . . . . 0.0 116.054 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.51 157.05 17.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.229 0.612 . . . . 0.0 110.841 177.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 7.8 p -64.3 154.6 82.75 Favored Pre-proline 0 N--CA 1.48 1.046 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.498 165.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -54.21 -39.33 86.85 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 122.468 2.112 . . . . 0.0 113.633 174.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -67.11 -46.0 75.47 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.534 0.734 . . . . 0.0 111.839 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.13 -38.86 79.07 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.791 178.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -54.23 -51.63 63.86 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.79 1.177 . . . . 0.0 110.745 168.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.6 t -54.87 -45.74 74.65 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.678 0.672 . . . . 0.0 111.331 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.69 -52.44 64.91 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.222 1.009 . . . . 0.0 113.128 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.1 p -66.46 -56.04 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.786 1.175 . . . . 0.0 112.168 176.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -67.36 -33.97 76.34 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.577 1.081 . . . . 0.0 112.686 -169.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.08 -38.27 78.92 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.69 1.132 . . . . 0.0 112.366 175.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.66 -39.8 88.34 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.852 -1.155 . . . . 0.0 110.748 172.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . 0.424 ' HE1' ' HB3' ' B' ' 72' ' ' SER . 0.2 OUTLIER -63.97 -6.97 7.04 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 115.197 1.555 . . . . 0.0 115.197 167.032 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.71 -39.73 8.64 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.93 1.252 . . . . 0.0 113.443 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.43 -10.33 38.39 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 175.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 p -53.28 139.24 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.502 1.121 . . . . 0.0 112.954 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -88.27 93.63 9.57 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 169.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.525 HG13 HD22 ' B' ' 68' ' ' LEU . 49.8 t -52.95 -39.02 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.457 1.103 . . . . 0.0 113.306 -174.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -72.04 -31.18 65.91 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -97.47 -42.36 7.75 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.116 0.871 . . . . 0.0 112.24 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -31.51 53.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 119.359 0.982 . . . . 0.0 111.269 168.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.15 -49.22 54.76 Favored Glycine 0 C--N 1.341 0.808 0 CA-C-N 120.072 1.306 . . . . 0.0 111.439 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.77 -47.95 88.43 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 117.362 0.581 . . . . 0.0 112.666 174.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -67.8 -35.29 78.38 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 117.439 -1.267 . . . . 0.0 112.462 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.14 -56.39 17.19 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 122.009 2.186 . . . . 0.0 110.715 175.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 tp -68.73 -36.78 78.85 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 121.634 -0.666 . . . . 0.0 111.479 -176.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.65 -51.6 57.66 Favored Glycine 0 CA--C 1.527 0.833 0 O-C-N 121.42 -0.8 . . . . 0.0 112.543 170.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.578 HH21 ' CD2' ' A' ' 122' ' ' HIS . 31.1 ttt180 -56.0 -23.36 32.3 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.795 1.638 . . . . 0.0 113.565 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.479 ' HA ' HG21 ' B' ' 109' ' ' VAL . 47.7 tp -65.09 -57.74 7.85 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.721 1.146 . . . . 0.0 110.256 167.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.18 -31.13 71.32 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.51 -0.744 . . . . 0.0 112.068 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.485 HG22 ' HA ' ' B' ' 30' ' ' ARG . 2.2 m -66.29 -8.0 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 176.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.9 -2.53 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 120.783 1.629 . . . . 0.0 112.69 171.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 56.38 41.5 0.79 Allowed Pre-proline 0 CA--C 1.564 1.499 0 O-C-N 120.941 -1.099 . . . . 0.0 113.247 -166.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -76.45 162.45 33.38 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.471 2.781 . . . . 0.0 113.06 -170.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 5.5 p90 -60.27 -25.37 65.65 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 120.91 -1.119 . . . . 0.0 113.805 168.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 42.2 p -55.72 -28.81 57.76 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.86 0.864 . . . . 0.0 112.948 172.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -58.45 -21.29 50.63 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.58 1.552 . . . . 0.0 113.208 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -27.8 18.2 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-N 120.297 1.408 . . . . 0.0 113.361 173.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.09 13.09 36.3 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.5 -8.6 27.56 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 176.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -49.95 -27.14 4.91 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.899 1.28 . . . . 0.0 114.349 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 49.6 p -96.18 -24.47 16.25 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.268 1.427 . . . . 0.0 114.34 172.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.61 -40.09 92.23 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.411 1.485 . . . . 0.0 112.009 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.98 -175.49 34.99 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 123.989 0.804 . . . . 0.0 114.846 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 43.61 -110.62 0.17 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.642 1.977 . . . . 0.0 111.997 -166.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 tt 60.38 -17.32 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 128.039 2.536 . . . . 0.0 117.504 174.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 14.1 t -49.38 -28.52 5.13 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.299 1.84 . . . . 0.0 113.58 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 81.4 p -125.5 150.77 68.9 Favored Pre-proline 0 N--CA 1.472 0.642 0 C-N-CA 123.173 0.589 . . . . 0.0 110.394 149.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -66.12 -26.08 50.41 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.493 2.129 . . . . 0.0 113.67 173.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -57.68 -38.85 75.84 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.838 -1.164 . . . . 0.0 111.323 167.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.61 -38.35 77.21 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 118.288 -0.863 . . . . 0.0 112.528 170.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.6 -41.44 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 CA-C-N 121.289 1.859 . . . . 0.0 113.006 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 25.3 ptp -77.77 -18.48 56.39 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 177.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -96.17 -23.43 17.22 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.454 1.026 . . . . 0.0 114.764 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -52.49 117.13 9.96 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 126.534 1.934 . . . . 0.0 112.012 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -47.7 -40.39 31.04 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.985 3.123 . . . . 0.0 114.582 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -65.04 -41.84 94.84 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.61 0.764 . . . . 0.0 111.897 176.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 86.0 t -69.09 -34.62 64.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 119.54 1.064 . . . . 0.0 111.866 175.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -64.4 -45.7 86.5 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 120.299 1.409 . . . . 0.0 111.628 170.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.39 -49.89 75.07 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.236 1.014 . . . . 0.0 112.789 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -33.18 75.04 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.68 -1.262 . . . . 0.0 112.925 173.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.31 -53.03 43.5 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 124.192 0.901 . . . . 0.0 111.899 167.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.6 -40.34 75.13 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 118.025 0.912 . . . . 0.0 112.463 172.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -67.14 -54.89 17.11 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.293 1.037 . . . . 0.0 113.413 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 17.6 m -59.18 -36.76 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 120.317 1.417 . . . . 0.0 111.452 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.525 HD22 HG13 ' B' ' 20' ' ' VAL . 7.0 tt -66.03 -41.24 91.16 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.507 1.123 . . . . 0.0 111.944 172.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.22 -37.08 78.56 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.164 1.364 . . . . 0.0 113.323 176.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.59 -44.55 93.68 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.609 -0.936 . . . . 0.0 112.376 169.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -59.72 -43.16 94.27 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 120.889 -1.132 . . . . 0.0 112.496 173.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . 0.424 ' HB3' ' HE1' ' B' ' 15' ' ' TRP . 94.6 p -68.98 -40.39 78.85 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.711 1.141 . . . . 0.0 112.847 177.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -57.12 -34.75 68.67 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.889 0.768 . . . . 0.0 111.584 167.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.78 -60.66 8.33 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.664 1.126 . . . . 0.0 112.204 169.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.85 -29.95 69.82 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.059 1.43 . . . . 0.0 114.005 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.94 -27.58 64.87 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 172.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -143.73 49.46 1.39 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.555 1.542 . . . . 0.0 112.716 -170.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.08 -20.81 56.79 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.836 -1.165 . . . . 0.0 113.724 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -66.19 -24.27 66.6 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.135 1.374 . . . . 0.0 114.235 173.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -88.07 -73.28 0.49 Allowed 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 118.924 0.784 . . . . 0.0 111.662 -173.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 50.9 22.17 1.12 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 175.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -147.35 -61.02 0.28 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 126.072 1.749 . . . . 0.0 110.355 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.51 -30.26 60.49 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.323 0.964 . . . . 0.0 114.337 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -28.73 66.14 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.294 1.438 . . . . 0.0 113.522 174.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -122.69 12.35 9.89 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.503 1.121 . . . . 0.0 113.391 -174.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.34 -30.08 66.44 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 120.021 1.282 . . . . 0.0 114.357 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 20.7 p -71.22 -39.76 71.53 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.243 1.017 . . . . 0.0 112.366 170.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 16.9 mt -74.25 -40.12 62.57 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.743 1.217 . . . . 0.0 111.588 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 98.4 p -59.37 -52.66 64.68 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 123.348 0.659 . . . . 0.0 109.408 173.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -56.66 -45.54 81.61 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.985 0.914 . . . . 0.0 113.305 174.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.5 -64.13 0.97 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.139 0.882 . . . . 0.0 111.469 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -72.27 -19.72 61.64 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 118.107 -0.949 . . . . 0.0 112.645 -174.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 1.3 p -88.06 -27.61 21.87 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.517 1.508 . . . . 0.0 114.391 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -114.98 -30.67 6.32 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.741 1.155 . . . . 0.0 112.82 -172.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -27.51 35.49 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.419 0.687 . . . . 0.0 112.487 170.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 6.2 mt -129.3 -36.33 1.72 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.324 1.05 . . . . 0.0 113.818 -173.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 49.33 25.65 1.34 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.097 2.159 . . . . 0.0 115.843 -171.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 2.8 m -59.01 143.05 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.378 1.071 . . . . 0.0 113.308 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.64 141.66 97.93 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 125.878 1.671 . . . . 0.0 114.579 -169.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -51.45 -35.24 54.4 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 124.124 3.216 . . . . 0.0 117.832 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -58.57 -27.03 64.22 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.778 -1.201 . . . . 0.0 112.924 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -61.18 -37.7 83.87 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.699 0.8 . . . . 0.0 111.712 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.05 -47.19 72.11 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.719 0.808 . . . . 0.0 110.223 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 60.8 mtm-85 -56.94 -46.43 82.07 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.925 174.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 mt -54.39 -50.81 66.67 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.716 0.806 . . . . 0.0 113.061 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 tt -58.27 -41.53 84.51 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.401 0.68 . . . . 0.0 111.088 174.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -60.64 -48.94 83.74 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 121.076 -1.015 . . . . 0.0 114.673 174.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -59.12 -43.4 91.93 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.313 -1.11 . . . . 0.0 110.46 174.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.479 HG21 ' HA ' ' B' ' 31' ' ' LEU . 9.7 t -58.12 -47.96 85.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 124.202 1.001 . . . . 0.0 112.194 174.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 35.5 tp -56.07 -52.5 64.06 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 119.035 0.834 . . . . 0.0 110.959 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.495 HG12 ' HB3' ' B' ' 130' ' ' TYR . 5.7 m -64.56 -29.82 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 O-C-N 121.463 -0.773 . . . . 0.0 111.441 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.01 -35.57 64.4 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.361 -0.837 . . . . 0.0 112.814 176.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.88 -36.45 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 119.79 -1.819 . . . . 0.0 111.529 169.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.68 -37.0 85.72 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.532 0.605 . . . . 0.0 110.907 174.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.09 75.64 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 170.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -66.05 -59.49 3.75 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.08 0.855 . . . . 0.0 112.005 170.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -68.27 -28.28 67.06 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -171.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -128.74 22.69 5.84 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.12 0.968 . . . . 0.0 113.093 -170.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -43.89 -36.8 3.85 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.65 1.595 . . . . 0.0 116.589 -176.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -60.59 -24.29 65.35 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 125.598 1.559 . . . . 0.0 114.335 174.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -122.14 -8.86 8.72 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.188 2.195 . . . . 0.0 112.491 -174.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -80.51 70.06 7.13 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.439 1.496 . . . . 0.0 112.211 -172.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 32.4 p -63.59 160.3 44.86 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.402 1.081 . . . . 0.0 113.045 -175.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -47.4 -52.61 7.66 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.889 2.392 . . . . 0.0 115.142 167.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.64 -26.95 68.94 Favored 'Trans proline' 0 C--N 1.353 0.782 0 CA-C-N 121.522 1.579 . . . . 0.0 113.701 177.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -49.95 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 120.526 1.512 . . . . 0.0 110.835 171.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -36.95 85.99 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.754 -1.216 . . . . 0.0 111.857 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.12 94.84 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 171.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.71 -53.43 56.17 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.844 0.858 . . . . 0.0 111.385 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.495 ' HB3' HG12 ' B' ' 111' ' ' VAL . 36.5 m-85 -55.72 -44.4 77.45 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 122.005 -0.435 . . . . 0.0 111.576 172.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -58.48 -40.23 82.19 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 176.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -63.4 -42.96 98.79 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 120.789 1.631 . . . . 0.0 113.401 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 2.8 p -70.44 -36.06 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 CA-C-N 119.555 1.07 . . . . 0.0 112.183 173.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 9.5 t -57.6 -49.16 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.287 0.949 . . . . 0.0 112.027 170.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.67 -46.81 86.39 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.797 0.839 . . . . 0.0 110.647 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.44 -54.14 25.41 Favored Glycine 0 CA--C 1.531 1.089 0 CA-C-O 119.587 -0.563 . . . . 0.0 112.922 169.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.83 -40.73 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 118.609 1.204 . . . . 0.0 112.548 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.11 71.84 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.562 -0.711 . . . . 0.0 111.945 177.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -61.95 -36.22 80.78 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.862 0.755 . . . . 0.0 112.138 174.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.69 -43.24 84.94 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.15 0.98 . . . . 0.0 112.377 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -43.31 99.11 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.324 -0.86 . . . . 0.0 110.047 171.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.23 -4.57 5.37 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 174.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -54.48 -39.57 67.63 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.142 -1.599 . . . . 0.0 113.375 -177.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -66.87 -10.55 49.46 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 CA--C 1.546 0.808 0 C-N-CA 124.609 1.164 . . . . 0.0 113.828 -168.782 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 30.2 m . . . . . 0 N--CA 1.516 2.854 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 mp -142.82 -161.76 1.31 Allowed 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 125.3 1.44 . . . . 0.0 111.159 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 96.4 p -115.5 153.14 47.7 Favored Pre-proline 0 N--CA 1.482 1.131 0 CA-C-N 120.331 1.423 . . . . 0.0 112.751 -172.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.42 -35.83 22.28 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.884 1.723 . . . . 0.0 113.686 -162.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.65 -34.15 77.54 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 177.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.45 -44.26 79.1 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 118.951 0.796 . . . . 0.0 111.324 174.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -54.78 -48.0 73.25 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.635 0.652 . . . . 0.0 111.034 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 69.3 m -54.19 -47.91 71.55 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.738 0.815 . . . . 0.0 112.187 176.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -78.31 -28.44 47.4 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.89 -48.89 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.551 1.068 . . . . 0.0 110.294 167.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -58.18 -46.91 84.94 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 118.836 0.743 . . . . 0.0 111.284 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.89 -53.33 59.62 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.228 0.611 . . . . 0.0 112.163 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.67 -52.03 67.44 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.85 0.86 . . . . 0.0 112.034 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -65.85 -26.9 67.86 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.02 -40.84 97.55 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.556 1.074 . . . . 0.0 113.689 169.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 47.1 mmtt -67.85 -37.88 82.43 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 118.594 1.197 . . . . 0.0 111.595 173.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 67.2 t -67.37 -24.35 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.922 1.689 . . . . 0.0 113.679 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.37 122.07 1.18 Allowed Glycine 0 CA--C 1.542 1.766 0 C-N-CA 125.137 1.351 . . . . 0.0 114.034 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 84.25 -31.85 0.07 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 129.507 3.123 . . . . 0.0 114.676 -175.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -88.1 -6.36 57.95 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.524 1.13 . . . . 0.0 113.19 170.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -46.46 -52.98 12.04 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.813 1.645 . . . . 0.0 113.629 -176.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.42 -36.56 89.1 Favored Glycine 0 N--CA 1.47 0.964 0 O-C-N 121.753 -0.592 . . . . 0.0 113.947 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -57.61 -43.79 84.99 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.376 1.47 . . . . 0.0 111.754 170.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -74.06 -36.56 64.35 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.71 -1.244 . . . . 0.0 113.564 176.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.37 -49.39 69.1 Favored Glycine 0 CA--C 1.529 0.948 0 CA-C-N 119.396 0.998 . . . . 0.0 111.729 168.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.99 -50.38 73.59 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.151 0.98 . . . . 0.0 112.118 175.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -66.14 -33.58 76.09 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.136 -0.978 . . . . 0.0 112.321 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.16 -38.05 78.55 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.094 -1.004 . . . . 0.0 112.593 175.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 55.7 mt -62.69 -47.95 81.43 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.757 0.823 . . . . 0.0 111.153 169.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -58.97 -45.91 89.38 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.24 1.016 . . . . 0.0 111.519 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -51.53 -55.46 18.89 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.934 1.294 . . . . 0.0 111.793 169.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -54.38 -41.8 69.62 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.468 1.107 . . . . 0.0 112.617 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -65.38 -24.57 67.26 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 176.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -115.12 -13.3 11.83 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -173.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 88.0 p -75.79 -40.17 55.64 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.216 -0.927 . . . . 0.0 111.739 161.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -131.96 81.46 62.34 Favored Pre-proline 0 CA--C 1.542 0.666 0 C-N-CA 125.956 1.702 . . . . 0.0 110.82 -176.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -52.13 -16.06 4.21 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 124.703 3.602 . . . . 0.0 116.904 177.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 7.4 p -53.35 -44.27 68.38 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.403 1.081 . . . . 0.0 112.296 167.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 63.1 p -59.72 -27.8 66.78 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -177.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -53.59 -35.09 60.47 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 119.41 1.005 . . . . 0.0 112.034 171.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -20.8 66.48 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 178.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -18.28 65.27 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.373 -0.83 . . . . 0.0 113.066 177.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.11 79.0 10.12 Favored Pre-proline 0 CA--C 1.552 1.03 0 CA-C-N 119.4 1.0 . . . . 0.0 112.236 174.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -72.28 24.15 0.27 Allowed 'Trans proline' 0 CA--C 1.552 1.395 1 C-N-CA 125.317 4.011 . . . . 0.0 115.701 -168.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.28 -11.19 4.64 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.872 1.669 . . . . 0.0 113.033 176.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -76.94 123.6 26.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.759 0.824 . . . . 0.0 112.133 -168.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -81.9 62.94 5.92 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.088 0.955 . . . . 0.0 111.561 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 pp -65.59 22.29 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.723 2.009 . . . . 0.0 115.779 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 22.6 m -57.93 160.25 4.87 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.326 1.85 . . . . 0.0 112.836 173.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -57.76 123.93 17.39 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.129 -0.982 . . . . 0.0 110.991 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.01 7.26 66.1 Favored Glycine 0 CA--C 1.539 1.591 0 CA-C-O 119.015 -0.88 . . . . 0.0 115.157 -175.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 45.6 t -53.79 108.08 0.32 Allowed 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.091 1.445 . . . . 0.0 114.181 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.83 -32.99 64.07 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.066 0.946 . . . . 0.0 112.578 170.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -66.06 -44.29 84.96 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.108 0.563 . . . . 0.0 111.209 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.05 -35.7 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-O 118.503 -0.761 . . . . 0.0 111.483 174.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -63.45 -47.12 83.18 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 120.203 1.365 . . . . 0.0 111.895 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.94 -51.57 56.19 Favored Glycine 0 N--CA 1.471 1.03 0 C-N-CA 124.146 0.879 . . . . 0.0 112.313 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -57.89 -41.79 83.29 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.783 -0.833 . . . . 0.0 111.675 173.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.68 -51.32 49.41 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 124.627 1.108 . . . . 0.0 113.763 172.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -54.3 -43.86 71.47 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 118.674 1.237 . . . . 0.0 112.386 172.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -65.95 -48.48 71.18 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 118.918 0.781 . . . . 0.0 112.35 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 79.1 t -54.67 -47.66 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.168 0.895 . . . . 0.0 111.02 172.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 63' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -68.0 -40.51 83.0 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.09 -37.27 86.83 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.182 -0.949 . . . . 0.0 111.887 174.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.19 -35.3 79.84 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.487 -0.758 . . . . 0.0 112.842 168.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 mt -63.47 -45.28 91.53 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.207 0.912 . . . . 0.0 111.624 168.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 36.6 m -55.29 -45.78 76.21 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 120.375 1.443 . . . . 0.0 112.057 172.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -61.51 -44.08 97.72 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.945 1.298 . . . . 0.0 112.189 175.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.02 -50.33 71.18 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.552 -0.718 . . . . 0.0 111.479 170.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 85.6 t -60.14 -42.26 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.905 0.882 . . . . 0.0 111.977 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.16 -23.69 67.41 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -134.08 24.95 3.91 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.005 1.322 . . . . 0.0 112.739 -171.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 12.6 p -60.11 -25.76 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -168.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -71.9 -21.67 61.6 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 120.901 -1.125 . . . . 0.0 113.855 173.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -128.27 24.25 5.93 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 127.468 2.307 . . . . 0.0 111.86 -173.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 24.2 ttp -51.87 -36.25 28.57 Favored Pre-proline 0 CA--C 1.549 0.93 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 -171.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -69.43 46.72 0.47 Allowed 'Trans proline' 0 CA--C 1.554 1.525 0 C-N-CA 124.331 3.354 . . . . 0.0 114.517 168.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -157.98 -39.1 0.07 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.636 2.774 . . . . 0.0 109.45 168.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.19 -36.47 77.7 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 176.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 65.9 mt -100.29 9.22 43.02 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -175.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 57.1 m -58.01 -31.78 67.3 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -177.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.2 -31.51 70.22 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.74 -1.225 . . . . 0.0 112.959 171.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mt -81.33 -35.04 31.43 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.336 1.054 . . . . 0.0 111.691 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 1.1 p -59.64 -43.85 93.71 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 118.807 -0.616 . . . . 0.0 110.331 167.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.66 -49.44 75.04 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.458 1.503 . . . . 0.0 112.402 173.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 tp -47.81 -67.19 0.3 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.777 1.231 . . . . 0.0 110.585 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -27.64 68.57 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.921 0.782 . . . . 0.0 113.014 -171.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.38 -41.67 69.38 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.712 0.805 . . . . 0.0 111.829 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -73.02 -45.59 56.87 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.462 0.705 . . . . 0.0 112.617 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.6 157.5 32.07 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.224 1.41 . . . . 0.0 112.243 -178.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 41.6 mt 51.68 68.47 0.8 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.795 1.238 . . . . 0.0 113.19 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 15.7 ttm-85 -62.88 13.49 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 118.061 2.615 . . . . 0.0 118.061 -170.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 t 25.15 86.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 129.534 3.134 . . . . 0.0 115.087 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -41.6 122.21 2.26 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 123.7 0.8 . . . . 0.0 111.094 164.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -40.64 -32.1 0.76 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 124.641 3.56 . . . . 0.0 115.983 174.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 4.4 p -51.0 -41.33 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 120.232 1.378 . . . . 0.0 111.233 174.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -74.36 -28.74 61.27 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 123.702 0.801 . . . . 0.0 111.331 -177.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . 0.422 ' C ' ' CD1' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -57.43 -52.97 63.24 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.069 163.147 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -56.82 -45.1 82.51 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.481 1.037 . . . . 0.0 110.343 -174.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 87.0 mt -57.38 -61.06 2.75 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.17 0.988 . . . . 0.0 111.415 173.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 67.8 tp -57.91 -42.96 85.84 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.32 0.964 . . . . 0.0 112.076 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 32.9 t -56.8 -52.22 65.89 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.585 1.154 . . . . 0.0 111.451 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -59.89 -46.38 89.49 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 122.761 0.425 . . . . 0.0 111.62 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 86.6 m -60.33 -40.29 90.13 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.924 0.889 . . . . 0.0 112.483 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 41.3 mt -61.4 -52.55 64.13 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 119.543 1.065 . . . . 0.0 110.8 173.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 17.9 mt -51.72 -47.77 63.87 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.616 0.766 . . . . 0.0 111.24 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 31.5 t -57.57 -50.16 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 C-N-CA 124.291 1.036 . . . . 0.0 112.029 175.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 20.2 m -64.81 -36.94 85.95 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.183 0.901 . . . . 0.0 112.338 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 11.9 mt -64.1 -43.75 94.4 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.584 1.084 . . . . 0.0 112.01 172.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.99 -32.43 66.1 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.36 -6.31 23.66 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 115.408 1.632 . . . . 0.0 115.408 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.64 -34.48 0.83 Allowed 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 -174.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 6.9 mp -67.34 158.43 82.02 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 119.263 0.938 . . . . 0.0 112.696 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.73 -32.95 78.49 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 124.042 3.161 . . . . 0.0 115.402 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -148.13 -53.4 0.19 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.552 1.141 . . . . 0.0 112.153 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 65.54 -31.99 0.15 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.235 2.214 . . . . 0.0 114.304 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -75.04 -5.34 43.57 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.964 1.706 . . . . 0.0 115.471 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.67 156.75 6.02 Favored Pre-proline 0 N--CA 1.481 1.081 0 C-N-CA 123.724 0.81 . . . . 0.0 111.025 -176.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.36 -46.19 22.73 Favored 'Trans proline' 0 CA--C 1.528 0.21 0 C-N-CA 121.307 1.338 . . . . 0.0 113.43 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.92 -12.16 60.29 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -178.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 55.1 t -104.42 -46.53 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 119.662 1.119 . . . . 0.0 111.844 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 122' ' ' HIS . . . . . 0.576 ' CD2' HH21 ' D' ' 30' ' ' ARG . 4.0 t-80 -72.02 -40.44 68.44 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 121.276 1.853 . . . . 0.0 113.303 -175.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.94 -54.22 49.42 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 119.504 1.047 . . . . 0.0 110.166 166.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 13.4 t -49.81 -57.62 7.0 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.027 1.331 . . . . 0.0 113.418 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.57 -39.23 81.09 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.747 -0.644 . . . . 0.0 111.391 -176.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.44 -53.88 48.29 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.638 1.108 . . . . 0.0 112.109 176.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -33.33 75.57 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 119.282 -0.389 . . . . 0.0 111.35 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -62.76 -53.7 50.38 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 119.06 0.846 . . . . 0.0 111.58 173.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 34.3 mt -60.72 -36.58 79.2 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.452 1.023 . . . . 0.0 112.188 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.36 -31.84 72.55 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 171.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 59.5 m -77.36 -37.03 53.07 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.509 -1.37 . . . . 0.0 112.932 171.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 74.4 t -55.95 -51.59 59.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 119.172 0.896 . . . . 0.0 109.602 171.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 87.0 p -64.78 -40.51 95.37 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 176.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 1.3 m -49.07 -50.74 35.25 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.522 1.056 . . . . 0.0 111.233 169.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.01 -40.83 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.028 -1.045 . . . . 0.0 111.18 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.3 -24.35 67.26 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 179.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 4.2 t -101.99 -17.29 16.17 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.724 1.21 . . . . 0.0 113.027 178.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 CA--C 1.544 0.745 0 C-N-CA 124.554 1.142 . . . . 0.0 112.399 165.548 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.301 2.4 p . . . . . 0 N--CA 1.508 2.461 0 CA-C-O 116.83 -1.557 . . . . 0.0 113.318 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 63.7 t60 13.19 85.42 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 128.21 2.604 . . . . 0.0 116.138 -176.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.45 157.13 17.62 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.219 0.607 . . . . 0.0 110.881 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 8.2 p -64.33 154.92 82.06 Favored Pre-proline 0 N--CA 1.48 1.071 0 CA-C-O 118.812 -0.613 . . . . 0.0 109.473 165.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -54.54 -39.12 89.72 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.327 2.018 . . . . 0.0 113.721 174.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -67.16 -46.0 75.31 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.544 0.738 . . . . 0.0 111.87 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.06 -38.76 79.26 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.404 -0.808 . . . . 0.0 111.848 178.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -54.44 -51.47 64.86 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.755 1.161 . . . . 0.0 110.651 168.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 22.6 t -55.01 -45.8 75.15 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.722 0.692 . . . . 0.0 111.235 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.61 -52.48 64.7 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.283 1.033 . . . . 0.0 113.117 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.47 -56.15 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 CA-C-N 119.658 1.117 . . . . 0.0 112.155 176.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 4.3 m -67.33 -33.94 76.31 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.58 1.082 . . . . 0.0 112.811 -168.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.4 78.87 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.451 1.023 . . . . 0.0 112.412 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.53 -39.59 88.68 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.153 -0.967 . . . . 0.0 110.829 172.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 15' ' ' TRP . . . . . 0.418 ' HE1' ' HB3' ' D' ' 72' ' ' SER . 0.3 OUTLIER -64.36 -6.53 7.27 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 167.54 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.77 -40.05 8.41 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.173 1.368 . . . . 0.0 113.447 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.17 -10.27 39.39 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 175.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 p -53.22 139.08 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 124.644 1.178 . . . . 0.0 113.051 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -88.34 93.35 9.49 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.41 -0.806 . . . . 0.0 108.859 169.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . 0.543 HG13 HD22 ' D' ' 68' ' ' LEU . 50.2 t -52.73 -39.13 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 124.496 1.119 . . . . 0.0 113.249 -174.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -72.22 -29.69 64.2 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -98.92 -42.35 7.18 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.015 0.825 . . . . 0.0 112.18 -178.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.5 -31.47 53.72 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.55 0 CA-C-N 119.573 1.079 . . . . 0.0 111.203 168.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.07 -49.1 56.14 Favored Glycine 0 N--CA 1.468 0.807 0 CA-C-N 120.077 1.308 . . . . 0.0 111.551 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.93 -47.88 88.81 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 117.248 0.524 . . . . 0.0 112.781 174.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -67.6 -35.49 79.06 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 117.411 -1.28 . . . . 0.0 112.531 175.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.17 -56.25 18.29 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 121.939 2.154 . . . . 0.0 110.744 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -68.72 -36.94 79.08 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.762 -0.587 . . . . 0.0 111.464 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.403 ' O ' HG13 ' D' ' 33' ' ' VAL . . . -60.74 -51.41 58.84 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-N 118.945 0.793 . . . . 0.0 112.404 170.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 30' ' ' ARG . . . . . 0.576 HH21 ' CD2' ' C' ' 122' ' ' HIS . 31.3 ttt180 -56.16 -23.2 33.36 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.774 1.629 . . . . 0.0 113.743 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . 0.459 ' HA ' HG21 ' D' ' 109' ' ' VAL . 48.0 tp -65.09 -57.81 7.67 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.678 1.126 . . . . 0.0 110.22 167.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.09 -31.35 71.77 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.503 -0.748 . . . . 0.0 112.072 -175.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 33' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' D' ' 30' ' ' ARG . 2.2 m -66.2 -7.82 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 176.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 t -79.01 -2.54 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 CA-C-N 120.828 1.649 . . . . 0.0 112.637 171.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 56.19 41.64 0.83 Allowed Pre-proline 0 CA--C 1.564 1.496 0 O-C-N 120.923 -1.111 . . . . 0.0 113.264 -165.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -76.45 162.51 33.32 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 123.412 2.741 . . . . 0.0 113.199 -170.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 5.8 p90 -60.24 -25.35 65.59 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 168.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 41.5 p -55.85 -28.64 57.41 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.85 0.86 . . . . 0.0 113.058 172.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -58.33 -21.45 49.54 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.543 1.537 . . . . 0.0 113.284 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -27.73 17.97 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 120.196 1.362 . . . . 0.0 113.333 173.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.12 13.01 36.53 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.758 1.223 . . . . 0.0 114.201 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -8.73 28.03 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 176.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -49.66 -27.31 4.54 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.937 1.295 . . . . 0.0 114.387 179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 51.0 p -96.15 -24.49 16.25 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.236 1.414 . . . . 0.0 114.322 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.54 -40.14 92.56 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.227 1.411 . . . . 0.0 112.013 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.06 -175.53 35.22 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.03 0.824 . . . . 0.0 114.903 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 43.58 -110.57 0.17 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.58 1.952 . . . . 0.0 112.025 -166.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 tt 60.36 -17.4 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 128.082 2.553 . . . . 0.0 117.564 174.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 13.9 t -49.33 -28.51 4.97 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.289 1.836 . . . . 0.0 113.646 177.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 81.1 p -125.45 150.73 68.63 Favored Pre-proline 0 N--CA 1.471 0.578 0 C-N-CA 123.216 0.606 . . . . 0.0 110.482 149.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -66.08 -26.05 50.69 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.601 2.201 . . . . 0.0 113.655 173.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.68 -38.84 75.86 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 120.732 -1.23 . . . . 0.0 111.372 167.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.59 -38.35 77.31 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 118.335 -0.84 . . . . 0.0 112.63 170.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -41.47 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 CA-C-N 121.178 1.808 . . . . 0.0 113.034 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 25.3 ptp -77.75 -18.43 56.5 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -96.23 -23.35 17.23 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 124.399 1.0 . . . . 0.0 114.724 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -52.54 117.17 10.11 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 126.572 1.949 . . . . 0.0 112.0 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -47.63 -40.54 30.62 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.995 3.13 . . . . 0.0 114.603 175.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -65.02 -41.89 94.91 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.443 0.697 . . . . 0.0 111.842 176.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 85.7 t -68.97 -34.57 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 119.616 1.098 . . . . 0.0 111.904 175.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -64.38 -45.66 86.73 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 120.237 1.38 . . . . 0.0 111.659 170.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.42 -49.97 74.7 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.176 0.99 . . . . 0.0 112.794 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -33.11 74.85 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.627 -1.295 . . . . 0.0 113.12 173.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.32 -53.11 42.98 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 124.264 0.935 . . . . 0.0 111.853 167.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.47 -40.45 74.91 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 118.028 0.914 . . . . 0.0 112.471 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -67.19 -54.86 17.21 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.242 1.017 . . . . 0.0 113.437 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 17.3 m -58.91 -36.93 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 120.371 1.442 . . . . 0.0 111.605 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . 0.543 HD22 HG13 ' D' ' 20' ' ' VAL . 7.0 tt -65.96 -41.28 91.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.345 1.058 . . . . 0.0 111.883 173.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.09 -37.2 78.36 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.149 1.357 . . . . 0.0 113.355 176.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.67 93.56 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.675 -0.897 . . . . 0.0 112.207 170.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -59.62 -43.28 93.85 Favored 'General case' 0 CA--C 1.55 0.954 0 O-C-N 120.791 -1.193 . . . . 0.0 112.533 173.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 72' ' ' SER . . . . . 0.418 ' HB3' ' HE1' ' D' ' 15' ' ' TRP . 93.5 p -68.86 -40.54 79.28 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.848 1.204 . . . . 0.0 112.843 177.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -56.95 -34.96 68.55 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.891 0.768 . . . . 0.0 111.578 167.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.61 -60.61 8.37 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 124.692 1.139 . . . . 0.0 112.259 169.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.0 -29.92 69.98 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.115 1.457 . . . . 0.0 113.931 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.0 -27.51 64.76 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 172.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -143.66 49.27 1.4 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.608 1.563 . . . . 0.0 112.731 -170.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 90.6 mt -59.06 -20.78 56.48 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 120.868 -1.145 . . . . 0.0 113.635 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -66.14 -24.35 66.65 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.121 1.368 . . . . 0.0 114.26 173.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -87.92 -73.37 0.49 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.863 0.756 . . . . 0.0 111.779 -173.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 50.91 22.16 1.12 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 175.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -147.3 -61.08 0.28 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 126.254 1.822 . . . . 0.0 110.483 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.57 -30.32 60.28 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.431 1.015 . . . . 0.0 114.273 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.73 -28.66 66.05 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.331 1.452 . . . . 0.0 113.524 173.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -122.72 12.15 9.85 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.458 1.103 . . . . 0.0 113.444 -174.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.21 -30.24 66.32 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 21.0 p -71.17 -39.66 71.73 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.161 0.984 . . . . 0.0 112.454 170.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 16.9 mt -74.27 -40.0 62.61 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.714 1.206 . . . . 0.0 111.637 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 98.4 p -59.42 -52.77 64.18 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 123.347 0.659 . . . . 0.0 109.381 173.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -56.63 -45.52 81.49 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.913 0.885 . . . . 0.0 113.359 174.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 34.6 tp -56.44 -64.13 0.97 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.261 -0.9 . . . . 0.0 111.53 177.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -72.31 -19.69 61.62 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 118.091 -0.957 . . . . 0.0 112.622 -174.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 1.3 p -88.09 -27.61 21.85 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 120.593 1.542 . . . . 0.0 114.429 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -114.96 -30.62 6.34 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.689 1.131 . . . . 0.0 112.786 -172.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -27.33 35.24 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.339 0.656 . . . . 0.0 112.58 170.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 6.2 mt -129.45 -36.19 1.69 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.519 1.128 . . . . 0.0 113.898 -173.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 49.17 25.67 1.25 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.124 2.17 . . . . 0.0 115.852 -171.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 2.8 m -59.01 143.18 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.36 1.064 . . . . 0.0 113.266 -177.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.77 141.66 97.82 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 125.777 1.631 . . . . 0.0 114.564 -169.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -51.38 -35.39 54.16 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 124.243 3.296 . . . . 0.0 117.86 -177.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -58.43 -27.08 64.01 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 120.572 -1.33 . . . . 0.0 112.998 176.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -61.09 -37.75 83.82 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.716 0.806 . . . . 0.0 111.766 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -67.08 -47.24 71.85 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.682 0.793 . . . . 0.0 110.192 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 60.6 mtm-85 -56.85 -46.52 81.69 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 118.618 -0.706 . . . . 0.0 110.868 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 mt -54.41 -50.82 66.7 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.729 0.811 . . . . 0.0 112.953 176.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 tt -58.14 -41.56 83.96 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.4 0.68 . . . . 0.0 111.151 174.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -60.72 -48.87 84.08 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 121.058 -1.026 . . . . 0.0 114.773 174.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -58.99 -43.66 91.48 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.307 -1.113 . . . . 0.0 110.441 174.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 109' ' ' VAL . . . . . 0.459 HG21 ' HA ' ' D' ' 31' ' ' LEU . 10.0 t -57.89 -47.92 85.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 124.154 0.982 . . . . 0.0 112.341 174.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 35.7 tp -56.1 -52.5 64.09 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 118.899 0.772 . . . . 0.0 110.981 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 111' ' ' VAL . . . . . 0.488 HG12 ' HB3' ' D' ' 130' ' ' TYR . 5.8 m -64.57 -29.79 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 O-C-N 121.484 -0.76 . . . . 0.0 111.501 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.97 -35.51 64.49 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.232 -0.918 . . . . 0.0 112.933 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.78 -36.86 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 119.733 -1.855 . . . . 0.0 111.248 169.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.56 -37.08 85.96 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.581 0.628 . . . . 0.0 110.818 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.61 -35.1 75.31 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 170.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -66.09 -59.65 3.58 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.025 0.829 . . . . 0.0 111.787 170.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -68.31 -28.27 67.03 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -171.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -128.9 22.74 5.76 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.231 1.012 . . . . 0.0 113.053 -170.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -43.68 -37.0 3.68 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 125.661 1.601 . . . . 0.0 116.556 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -60.82 -24.18 65.66 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.602 1.561 . . . . 0.0 114.33 175.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -122.32 -8.71 8.65 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.418 2.287 . . . . 0.0 112.593 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -80.53 69.74 7.08 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.491 1.517 . . . . 0.0 112.282 -173.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 32.7 p -63.46 160.34 43.38 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 124.343 1.057 . . . . 0.0 112.973 -175.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -47.49 -52.75 7.47 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 123.018 2.478 . . . . 0.0 115.049 167.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.45 -26.84 70.48 Favored 'Trans proline' 0 C--N 1.355 0.887 0 CA-C-N 121.573 1.598 . . . . 0.0 113.712 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.48 -50.24 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 120.496 1.498 . . . . 0.0 110.919 171.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.87 -36.21 83.62 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.208 -0.932 . . . . 0.0 112.082 -178.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.76 92.54 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 171.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.68 -53.54 54.79 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.068 0.947 . . . . 0.0 111.402 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 130' ' ' TYR . . . . . 0.488 ' HB3' HG12 ' D' ' 111' ' ' VAL . 37.1 m-85 -55.88 -44.4 78.09 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 122.07 -0.394 . . . . 0.0 111.627 173.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -58.22 -40.38 81.49 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.797 -1.189 . . . . 0.0 113.845 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -63.45 -43.08 98.42 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 120.803 1.638 . . . . 0.0 113.307 176.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 2.9 p -70.42 -35.84 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 CA-C-N 119.607 1.094 . . . . 0.0 112.277 174.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 8.8 t -57.89 -49.07 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.284 0.947 . . . . 0.0 111.882 170.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.69 -46.59 86.93 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.697 0.799 . . . . 0.0 110.732 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.7 -54.06 26.58 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.555 -0.581 . . . . 0.0 112.89 169.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -40.69 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 118.586 1.193 . . . . 0.0 112.469 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.1 -48.01 72.32 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.482 -0.761 . . . . 0.0 112.037 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -62.05 -36.17 80.83 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.853 0.752 . . . . 0.0 112.047 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.18 85.0 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.158 0.983 . . . . 0.0 112.417 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -43.5 98.74 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.406 -0.808 . . . . 0.0 110.152 171.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.13 -4.48 5.0 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 174.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -54.76 -39.39 68.31 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.133 -1.604 . . . . 0.0 113.45 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -67.1 -10.28 48.43 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -98.8 -7.06 28.09 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.685 1.194 . . . . 0.0 113.907 -168.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 . . . . . 0 C--O 1.254 1.326 0 C-N-CA 124.65 1.18 . . . . 0.0 113.822 -163.182 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.509 2.523 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.7 mt -147.28 179.64 7.5 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 119.848 -1.783 . . . . 0.0 112.384 -173.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -105.91 167.86 9.06 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 127.192 2.197 . . . . 0.0 109.745 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -76.66 -41.37 0.43 Allowed 'Trans proline' 0 CA--C 1.54 0.792 0 CA-C-N 121.401 1.536 . . . . 0.0 113.033 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.73 -35.65 77.39 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -35.78 77.5 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.551 -0.718 . . . . 0.0 112.379 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -56.83 -49.61 74.89 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.828 1.251 . . . . 0.0 109.813 173.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.5 m -58.04 -49.82 75.56 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.945 0.898 . . . . 0.0 111.939 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -65.16 -39.66 93.27 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.818 0.735 . . . . 0.0 112.325 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.1 t -62.02 -47.65 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 124.307 1.043 . . . . 0.0 111.64 173.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -59.93 -45.41 92.7 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.353 0.979 . . . . 0.0 111.295 175.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.48 -52.19 66.67 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.212 0.605 . . . . 0.0 111.281 176.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.77 -54.44 46.31 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.787 0.835 . . . . 0.0 112.15 176.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -62.83 -27.89 69.64 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.534 -0.728 . . . . 0.0 112.798 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.29 -44.0 98.29 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.762 1.172 . . . . 0.0 113.488 171.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -71.85 -35.62 69.9 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 118.615 1.207 . . . . 0.0 111.408 174.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.5 t -59.04 -44.4 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.057 0.943 . . . . 0.0 111.273 174.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.64 -135.94 5.03 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.635 1.588 . . . . 0.0 115.423 169.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.08 -22.58 61.0 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 178.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -71.99 -12.08 61.07 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.621 1.169 . . . . 0.0 113.392 178.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.5 -45.82 26.73 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.748 1.219 . . . . 0.0 114.162 -175.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.59 -34.54 90.23 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 119.716 -0.491 . . . . 0.0 113.587 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -66.98 -46.01 75.89 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.911 0.884 . . . . 0.0 110.153 174.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -65.25 -35.81 82.18 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.748 -0.595 . . . . 0.0 111.517 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.23 -47.89 75.7 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 124.029 0.823 . . . . 0.0 112.627 170.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.8 -46.68 81.43 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.275 1.037 . . . . 0.0 111.77 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -64.68 -38.32 90.6 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 121.448 -0.783 . . . . 0.0 112.321 174.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.442 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -65.65 -40.05 92.04 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.434 -0.791 . . . . 0.0 112.262 177.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.7 -42.74 97.92 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.967 1.307 . . . . 0.0 111.626 171.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.82 -45.79 89.15 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.645 0.778 . . . . 0.0 111.981 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -36.12 81.5 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.058 -1.026 . . . . 0.0 112.635 173.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -61.72 -42.47 99.0 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.166 0.893 . . . . 0.0 111.226 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -62.54 1.69 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.837 0.855 . . . . 0.0 111.283 167.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.33 -34.74 61.23 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 119.739 -0.784 . . . . 0.0 113.034 -157.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -70.5 -20.14 62.87 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.0 68.72 11.63 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.446 1.098 . . . . 0.0 110.532 -166.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -54.29 -21.62 23.58 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 123.834 3.023 . . . . 0.0 116.095 -174.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.4 p -52.21 -26.61 12.09 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.648 1.579 . . . . 0.0 114.502 166.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.9 p -64.01 -37.47 87.54 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.87 -1.144 . . . . 0.0 113.235 170.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' HA ' ' HE3' ' A' ' 40' ' ' LYS . 0.4 OUTLIER -68.43 -32.41 72.42 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -165.103 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.0 t -58.78 -25.57 63.2 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 175.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -67.52 -23.7 65.48 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.682 -1.261 . . . . 0.0 113.446 172.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -150.28 77.75 8.09 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 124.488 1.115 . . . . 0.0 112.507 178.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.96 -148.25 0.02 OUTLIER 'Trans proline' 0 CA--C 1.549 1.262 0 C-N-CA 123.872 3.048 . . . . 0.0 110.066 166.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.29 0.7 OUTLIER 57.52 12.41 1.51 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 126.44 1.896 . . . . 0.0 116.064 -175.651 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -105.39 133.82 49.52 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.344 1.857 . . . . 0.0 110.678 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -99.79 80.35 2.33 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.51 1.524 . . . . 0.0 111.567 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.7 mt -74.67 36.22 0.1 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.409 1.483 . . . . 0.0 114.498 -174.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -74.21 40.74 0.13 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.679 1.992 . . . . 0.0 113.299 176.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 55.52 151.49 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 130.827 3.651 . . . . 0.0 116.615 -164.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 46.39 37.91 8.73 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 126.177 1.846 . . . . 0.0 116.428 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 p -68.97 151.7 46.19 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -163.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.03 -18.74 59.43 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.598 1.159 . . . . 0.0 113.746 173.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -90.59 -45.19 9.06 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.483 1.113 . . . . 0.0 111.394 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.3 t -68.55 -36.49 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 O-C-N 121.246 -0.909 . . . . 0.0 111.742 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.31 -45.79 90.34 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.629 1.104 . . . . 0.0 112.213 173.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.56 -51.1 38.62 Favored Glycine 0 N--CA 1.47 0.929 0 C-N-CA 123.971 0.796 . . . . 0.0 111.902 -178.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -54.3 -42.65 70.33 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.505 0.722 . . . . 0.0 111.366 171.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.06 -51.94 46.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 121.104 -0.997 . . . . 0.0 114.122 170.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -59.01 -37.8 77.74 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 118.813 1.306 . . . . 0.0 112.454 176.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.5 -49.46 59.56 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 118.449 -0.786 . . . . 0.0 112.687 175.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 83.7 t -55.1 -44.74 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-N 119.983 1.265 . . . . 0.0 110.638 173.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.95 -51.59 69.38 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 174.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -59.25 -38.69 80.65 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.923 0.783 . . . . 0.0 112.287 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.79 88.66 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 171.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.75 -42.96 97.76 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 119.08 -0.486 . . . . 0.0 111.356 171.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.7 m -58.91 -45.2 90.87 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.61 1.096 . . . . 0.0 111.921 171.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -59.78 -42.96 94.5 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.486 1.114 . . . . 0.0 111.896 174.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.29 -50.57 73.14 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.64 -0.663 . . . . 0.0 111.598 170.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.0 t -55.54 -39.79 55.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 119.513 1.051 . . . . 0.0 112.185 175.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.36 -23.46 65.6 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -144.48 41.25 1.34 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.087 1.355 . . . . 0.0 111.729 -173.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 p -64.43 -12.39 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 -161.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.56 -7.0 20.03 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 169.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -114.29 -2.72 13.25 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.191 1.797 . . . . 0.0 112.553 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.411 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 23.4 ptt? -56.19 -20.47 0.54 Allowed Pre-proline 0 CA--C 1.544 0.748 0 N-CA-C 118.071 2.619 . . . . 0.0 118.071 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.88 -37.58 29.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 CA-C-N 123.968 2.453 . . . . 0.0 114.089 165.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -88.84 -41.18 12.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.729 0.812 . . . . 0.0 112.533 175.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 76' ' ' MET . . . -67.78 -11.46 58.51 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -177.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.2 mt -110.89 7.44 21.8 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.317 1.447 . . . . 0.0 113.219 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.5 m -53.36 -36.85 61.82 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.828 1.195 . . . . 0.0 114.114 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.53 -28.03 65.07 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 174.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.9 mt -86.54 -35.77 19.33 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.329 1.051 . . . . 0.0 111.092 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.9 m -63.28 -34.36 77.51 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 117.99 -1.005 . . . . 0.0 112.032 165.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.23 -51.08 69.2 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.368 1.44 . . . . 0.0 112.198 167.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 tp -49.1 -45.06 42.75 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.963 0.802 . . . . 0.0 111.881 173.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -70.26 -70.17 0.31 Allowed 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.535 -0.728 . . . . 0.0 110.832 175.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.05 -14.81 26.2 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -171.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -130.61 10.23 5.14 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.455 1.502 . . . . 0.0 113.299 -171.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -138.74 -50.57 0.54 Allowed 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 174.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.03 -12.41 2.19 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 44.46 33.91 0.98 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 128.206 2.602 . . . . 0.0 115.869 177.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.9 t -56.94 135.43 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -165.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -45.39 121.24 5.02 Favored Pre-proline 0 CA--C 1.55 0.96 0 C-N-CA 126.234 1.814 . . . . 0.0 112.519 174.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -46.54 -18.48 0.5 Allowed 'Trans proline' 0 C--N 1.352 0.749 1 C-N-CA 125.409 4.073 . . . . 0.0 117.046 176.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.7 p -51.44 -39.53 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 120.442 1.474 . . . . 0.0 111.854 168.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -57.8 -37.41 73.71 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.741 1.616 . . . . 0.0 112.589 174.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -63.22 -52.58 61.65 Favored 'General case' 0 C--N 1.345 0.4 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.456 172.277 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -54.2 -44.04 71.27 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 119.336 0.971 . . . . 0.0 110.75 -172.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.0 mt -55.19 -64.37 0.86 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.442 1.097 . . . . 0.0 110.576 174.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -35.47 73.39 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -177.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.9 t -60.62 -51.77 67.99 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.278 1.031 . . . . 0.0 111.865 174.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -59.69 -39.55 84.94 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 121.876 -0.515 . . . . 0.0 111.041 174.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 56.0 m -59.24 -46.96 87.1 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.731 -0.652 . . . . 0.0 111.84 174.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.5 mt -60.83 -49.69 76.46 Favored 'General case' 0 N--CA 1.461 0.117 0 C-N-CA 123.659 0.784 . . . . 0.0 111.795 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.7 mt -51.15 -39.52 56.53 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.886 0.475 . . . . 0.0 111.78 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 37.1 t -68.38 -51.84 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 118.285 -0.864 . . . . 0.0 113.034 170.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.5 p -64.82 -36.43 84.32 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 120.488 1.495 . . . . 0.0 112.916 -172.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.98 -48.17 80.79 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.225 1.375 . . . . 0.0 109.979 170.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.4 ' CB ' ' CE1' ' B' ' 116' ' ' HIS . . . -71.04 -20.35 62.39 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -172.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.52 -13.3 20.07 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 170.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -132.1 -13.3 3.16 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -173.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.0 mp -98.37 154.96 37.37 Favored Pre-proline 0 CA--C 1.554 1.106 0 C-N-CA 124.915 1.286 . . . . 0.0 110.467 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -56.91 -33.71 95.62 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 123.503 2.802 . . . . 0.0 115.724 -171.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.3 -45.79 0.17 Allowed 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 117.826 -1.083 . . . . 0.0 113.919 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 58.48 -9.28 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 116.566 2.062 . . . . 0.0 116.566 -175.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -119.24 6.63 11.21 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.0 p -47.33 150.05 1.69 Allowed Pre-proline 0 N--CA 1.473 0.687 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 175.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -52.21 -31.78 47.46 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 CA-C-N 120.263 1.13 . . . . 0.0 114.817 -172.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.33 -47.47 27.6 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 168.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.89 -43.17 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 120.591 -1.318 . . . . 0.0 113.413 -174.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.63 -39.72 88.43 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 122.219 2.282 . . . . 0.0 111.638 176.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.01 -58.39 8.09 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 122.822 0.449 . . . . 0.0 110.263 174.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 61.5 p -62.03 -51.95 65.94 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -177.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.71 -39.5 91.28 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.592 1.087 . . . . 0.0 112.049 -177.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -67.14 -50.51 61.02 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 120.033 1.288 . . . . 0.0 111.928 175.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -26.13 66.75 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.689 0.677 . . . . 0.0 112.748 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -68.53 -51.3 44.49 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.626 1.17 . . . . 0.0 112.071 168.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -58.27 -33.82 69.83 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.679 -1.263 . . . . 0.0 112.022 173.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.41 -35.09 68.29 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 172.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.3 p -70.06 -43.15 71.79 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.025 -1.672 . . . . 0.0 110.885 171.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 53.2 t -53.44 -51.98 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.44 1.496 . . . . 0.0 111.137 170.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 86.2 p -64.55 -40.01 94.8 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 119.364 0.984 . . . . 0.0 113.012 178.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.0 m -52.01 -55.77 18.45 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 118.896 0.771 . . . . 0.0 110.228 170.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 31.0 m -69.66 -27.54 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -176.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.45 -12.61 59.98 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 119.157 0.889 . . . . 0.0 112.907 171.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 98.8 m -96.44 -28.47 14.42 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.378 1.471 . . . . 0.0 111.807 171.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 59.1 m . . . . . 0 N--CA 1.471 0.606 0 C-N-CA 124.882 1.273 . . . . 0.0 112.48 170.104 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.33 2.2 p . . . . . 0 N--CA 1.514 2.763 0 CA-C-O 117.04 -1.457 . . . . 0.0 113.282 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 75.9 t60 14.22 84.05 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 128.213 2.605 . . . . 0.0 116.268 -172.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.11 161.22 8.93 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.597 0.759 . . . . 0.0 111.25 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 2.4 p -65.04 155.51 83.69 Favored Pre-proline 0 N--CA 1.48 1.039 0 O-C-N 121.688 -0.632 . . . . 0.0 109.558 163.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -55.89 -41.08 80.83 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 122.467 2.111 . . . . 0.0 113.752 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -68.33 -42.38 79.39 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.161 0.584 . . . . 0.0 111.572 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.49 -43.46 97.18 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.328 0.651 . . . . 0.0 111.212 175.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -54.77 -53.15 58.84 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.577 0.751 . . . . 0.0 111.25 172.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m -55.62 -41.83 74.04 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.268 0.94 . . . . 0.0 111.943 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.48 -41.53 98.57 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.5 p -69.69 -56.56 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 120.221 1.373 . . . . 0.0 111.424 171.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.1 m -67.72 -36.14 80.06 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.243 0.929 . . . . 0.0 113.244 -168.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.67 88.38 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 120.191 1.359 . . . . 0.0 112.294 175.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 tt -72.78 -28.17 62.44 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.66 -0.65 . . . . 0.0 111.417 173.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -63.87 -41.1 97.84 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.402 -0.811 . . . . 0.0 111.26 166.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.67 -27.86 50.33 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 125.446 1.498 . . . . 0.0 115.51 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -100.24 -5.73 27.12 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.696 1.198 . . . . 0.0 113.973 174.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.408 HG22 HG11 ' B' ' 23' ' ' VAL . 0.4 OUTLIER -65.22 138.74 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.495 1.118 . . . . 0.0 111.862 -174.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -88.93 67.04 8.1 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.245 1.018 . . . . 0.0 111.337 -175.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 48.8 t -39.7 -45.08 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 126.171 1.789 . . . . 0.0 115.585 -164.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.15 -57.24 11.21 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.047 0.939 . . . . 0.0 112.547 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -70.07 -52.33 24.76 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.189 0.996 . . . . 0.0 111.068 -175.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.408 HG11 HG22 ' B' ' 18' ' ' VAL . 0.8 OUTLIER -66.08 -29.21 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 125.841 1.656 . . . . 0.0 112.491 -179.474 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.05 -40.26 10.62 Favored Glycine 0 C--N 1.34 0.799 0 C-N-CA 124.295 0.95 . . . . 0.0 112.337 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.75 -41.44 99.06 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-N 118.198 0.999 . . . . 0.0 111.917 167.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -64.59 -41.17 96.43 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.191 -0.909 . . . . 0.0 112.865 171.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.59 -57.49 12.72 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 120.506 1.503 . . . . 0.0 111.335 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.3 tp -65.84 -39.97 91.32 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.353 -0.842 . . . . 0.0 112.39 -177.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.36 -47.17 87.29 Favored Glycine 0 N--CA 1.469 0.865 0 CA-C-N 119.019 0.827 . . . . 0.0 112.425 177.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.31 -37.5 55.93 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.982 1.313 . . . . 0.0 112.829 172.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.21 -48.89 23.93 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 123.49 0.716 . . . . 0.0 111.002 176.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.551 HD21 ' CE2' ' B' ' 45' ' ' PHE . 1.4 mm? -75.68 -30.9 59.53 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.2 -0.937 . . . . 0.0 112.404 -179.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 1.1 m -70.73 -12.09 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -0.79 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 CA-C-N 120.462 1.483 . . . . 0.0 113.617 170.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 12.3 t80 45.66 47.19 3.75 Favored Pre-proline 0 CA--C 1.562 1.412 0 C-N-CA 125.62 1.568 . . . . 0.0 114.325 -166.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -81.82 170.0 14.45 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.074 2.516 . . . . 0.0 114.228 -171.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 4.9 p90 -57.61 -28.81 63.98 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 169.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -60.95 -22.06 64.06 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.529 1.532 . . . . 0.0 113.856 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -57.74 -24.16 55.62 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.605 1.093 . . . . 0.0 112.889 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.01 -33.83 8.51 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.738 1.215 . . . . 0.0 113.43 171.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -92.79 11.56 26.57 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.459 1.504 . . . . 0.0 113.7 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -60.54 -15.87 31.81 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 178.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -50.52 -17.08 0.44 Allowed 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.803 1.409 . . . . 0.0 114.803 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 53.2 m -96.69 10.0 39.97 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.76 1.624 . . . . 0.0 114.707 174.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.551 ' CE2' HD21 ' B' ' 32' ' ' LEU . 19.8 m-85 -110.68 -20.29 12.57 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 120.257 -1.527 . . . . 0.0 114.607 -172.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.43 -7.64 17.39 Favored Glycine 0 CA--C 1.54 1.63 0 N-CA-C 117.318 1.687 . . . . 0.0 117.318 170.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -151.39 -130.21 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 119.419 1.61 . . . . 0.0 111.538 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 65.5 8.25 4.93 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.043 2.137 . . . . 0.0 115.539 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 88.2 p -58.19 -16.88 15.26 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 61.5 p -129.79 158.92 72.24 Favored Pre-proline 0 N--CA 1.469 0.501 0 C-N-CA 125.022 1.329 . . . . 0.0 110.327 154.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.15 -42.77 62.95 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 122.655 2.237 . . . . 0.0 114.157 172.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -59.21 -36.86 76.15 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.351 -0.843 . . . . 0.0 111.972 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.56 -36.67 84.96 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 176.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.68 -40.17 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 120.704 1.593 . . . . 0.0 112.628 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 5.1 ttm -80.46 -17.04 52.88 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -103.13 -22.87 8.89 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.191 1.377 . . . . 0.0 115.069 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -54.15 120.33 24.54 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 125.233 1.413 . . . . 0.0 111.882 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -61.28 -29.57 86.48 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.416 2.077 . . . . 0.0 113.14 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -63.3 -38.68 92.1 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.769 1.168 . . . . 0.0 112.176 171.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 71.4 t -69.72 -34.58 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-N 119.547 1.067 . . . . 0.0 111.736 174.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -66.89 -50.11 63.47 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 120.121 1.328 . . . . 0.0 111.798 173.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.31 -49.15 78.74 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.509 1.124 . . . . 0.0 112.452 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -67.32 -33.01 74.38 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.928 -1.108 . . . . 0.0 111.94 176.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.25 -48.15 76.87 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 126.427 1.965 . . . . 0.0 113.361 168.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -56.95 -44.39 82.5 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 117.759 0.78 . . . . 0.0 111.037 169.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -61.95 -50.44 72.11 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.706 0.802 . . . . 0.0 112.786 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.09 -45.44 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-N 119.859 1.208 . . . . 0.0 112.363 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.79 -33.65 68.76 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.239 -0.913 . . . . 0.0 112.176 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.97 -34.79 77.46 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.278 1.418 . . . . 0.0 113.234 174.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.53 -51.0 71.73 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.717 1.258 . . . . 0.0 110.565 165.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -54.07 -38.86 65.75 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.959 -1.088 . . . . 0.0 113.637 173.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.3 p -65.42 -36.31 83.56 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.839 -1.163 . . . . 0.0 113.426 173.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -27.15 68.12 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.405 -0.809 . . . . 0.0 112.245 169.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.74 -63.16 5.53 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 166.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 mt -53.72 -33.89 57.05 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.51 -24.58 59.01 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 176.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -141.09 40.51 1.79 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.183 1.393 . . . . 0.0 113.226 -172.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 77.5 mt -55.99 -21.47 21.37 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.873 -1.142 . . . . 0.0 114.063 176.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -59.1 -38.49 79.67 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.859 1.264 . . . . 0.0 113.636 175.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -161.46 61.83 0.27 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.345 1.058 . . . . 0.0 113.217 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.49 ' H ' HD23 ' B' ' 81' ' ' LEU . 0.5 OUTLIER -61.35 -18.53 59.08 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -179.358 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -55.44 -31.06 61.6 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.77 -1.206 . . . . 0.0 113.32 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.6 -23.55 42.51 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.3 0.952 . . . . 0.0 114.639 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.88 -16.73 43.31 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 118.905 1.352 . . . . 0.0 113.62 -179.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -113.41 0.81 14.88 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 116.188 1.921 . . . . 0.0 116.188 -174.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.17 -35.41 35.9 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 121.028 1.74 . . . . 0.0 115.528 -168.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 21.6 p -66.48 -40.24 89.21 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.428 1.091 . . . . 0.0 112.994 173.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 23.1 mt -67.03 -47.8 70.28 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 123.728 0.811 . . . . 0.0 109.932 171.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 4.6 m -56.01 -40.64 73.69 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 119.26 0.936 . . . . 0.0 112.293 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -60.24 -53.15 61.16 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.76 0.824 . . . . 0.0 111.676 171.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 45.0 tp -52.78 -46.18 67.48 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 120.944 -1.098 . . . . 0.0 111.925 174.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -80.28 -13.71 58.98 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 120.871 -1.143 . . . . 0.0 113.806 -174.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 42.0 t -102.31 -75.87 0.59 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.917 0.887 . . . . 0.0 110.135 169.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -61.6 -21.76 64.62 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.979 1.712 . . . . 0.0 115.12 -171.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -111.17 -20.06 12.48 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 175.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 79.7 mt -127.79 -34.81 2.15 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -176.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 35.11 19.33 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 130.338 3.455 . . . . 0.0 119.609 -175.079 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 1.4 m -51.26 149.48 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.504 1.522 . . . . 0.0 113.581 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.97 141.5 95.54 Favored Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -45.41 -39.13 16.4 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 125.056 3.837 . . . . 0.0 116.454 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -51.7 -27.09 10.71 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.796 1.238 . . . . 0.0 114.095 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -65.07 -44.23 89.59 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 120.759 -1.213 . . . . 0.0 110.84 175.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -67.43 -43.97 79.88 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.324 1.05 . . . . 0.0 110.126 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -43.14 80.56 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.507 1.123 . . . . 0.0 112.094 173.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.405 ' O ' HG13 ' B' ' 109' ' ' VAL . 10.2 tt -62.59 -47.36 84.14 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.071 0.948 . . . . 0.0 111.507 173.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -41.65 69.09 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.196 0.907 . . . . 0.0 111.018 173.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.08 -48.55 78.77 Favored Glycine 0 CA--C 1.523 0.563 0 CA-C-O 118.826 -0.986 . . . . 0.0 113.91 171.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -52.55 -50.67 62.45 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.1 1.45 . . . . 0.0 111.36 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.405 HG13 ' O ' ' B' ' 105' ' ' LEU . 0.7 OUTLIER -62.28 -38.26 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 121.581 -0.699 . . . . 0.0 111.819 -179.237 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 52.1 tp -62.99 -57.56 10.31 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.543 1.137 . . . . 0.0 111.89 175.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.452 HG12 ' HB3' ' B' ' 130' ' ' TYR . 12.4 m -60.83 -32.05 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 118.876 0.762 . . . . 0.0 111.567 -175.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 69.1 m -59.71 -46.25 89.65 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 117.607 -1.187 . . . . 0.0 112.698 173.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.63 -44.21 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 CA-C-N 121.904 2.138 . . . . 0.0 113.266 -174.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.464 ' H ' ' HG ' ' B' ' 114' ' ' LEU . 0.2 OUTLIER -65.59 -36.63 84.3 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 125.084 1.353 . . . . 0.0 110.101 -176.788 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . 0.482 ' HB2' ' CD1' ' B' ' 122' ' ' PHE . . . -66.46 -7.07 17.16 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.462 1.653 . . . . 0.0 115.462 173.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . 0.4 ' CE1' ' CB ' ' A' ' 110' ' ' ALA . 0.8 OUTLIER -109.73 -41.56 4.5 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.667 1.122 . . . . 0.0 111.081 -176.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -63.58 -38.49 91.31 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.794 -0.566 . . . . 0.0 112.168 164.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -127.26 25.13 6.21 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.635 1.174 . . . . 0.0 112.768 -167.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -48.19 -35.06 13.58 Favored Glycine 0 N--CA 1.481 1.635 0 C-N-CA 125.194 1.378 . . . . 0.0 115.544 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -55.29 -34.69 64.34 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.97 1.708 . . . . 0.0 113.95 172.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -104.78 -19.91 13.77 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.412 1.885 . . . . 0.0 112.778 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . 0.482 ' CD1' ' HB2' ' B' ' 115' ' ' ALA . 10.9 t80 -78.47 71.71 4.95 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.786 1.635 . . . . 0.0 111.922 -178.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 69.7 p -61.74 161.46 21.14 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 124.747 1.219 . . . . 0.0 112.226 175.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -43.65 -50.17 7.28 Favored 'Trans proline' 0 CA--C 1.55 1.282 0 C-N-CA 123.137 2.558 . . . . 0.0 114.914 167.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -65.65 -32.99 46.66 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.048 1.832 . . . . 0.0 115.598 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 14.8 t -52.11 -44.02 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 120.473 1.488 . . . . 0.0 111.919 172.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.65 -43.1 99.49 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.179 -0.95 . . . . 0.0 112.2 177.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.12 -30.01 70.73 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.191 0.996 . . . . 0.0 113.333 175.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.7 -55.36 13.47 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.602 0.637 . . . . 0.0 110.904 172.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.452 ' HB3' HG12 ' B' ' 111' ' ' VAL . 31.5 m-85 -56.12 -44.01 78.72 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.674 -0.641 . . . . 0.0 112.373 177.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -55.76 -42.53 75.59 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.655 -0.653 . . . . 0.0 112.748 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -64.9 -44.22 90.3 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.614 1.097 . . . . 0.0 113.304 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 2.1 p -70.08 -38.43 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 121.364 -0.835 . . . . 0.0 112.413 175.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 89.6 t -68.68 -37.03 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 118.648 0.658 . . . . 0.0 111.963 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.18 94.75 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.237 -0.915 . . . . 0.0 111.792 169.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.79 -48.81 75.25 Favored Glycine 0 N--CA 1.471 1.005 0 O-C-N 121.801 -0.562 . . . . 0.0 112.808 169.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -45.73 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 118.095 0.948 . . . . 0.0 111.716 174.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.72 -49.53 77.12 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 122.982 0.513 . . . . 0.0 111.472 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -35.32 80.6 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.822 -0.549 . . . . 0.0 111.725 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.79 -38.7 76.75 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.453 0.57 . . . . 0.0 111.995 175.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.6 -33.41 75.59 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.911 1.232 . . . . 0.0 111.655 172.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.94 -8.9 52.62 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 170.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -51.16 -42.76 61.02 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 120.387 -1.445 . . . . 0.0 113.685 -176.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -70.7 1.4 5.38 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 . . . . . 0 CA--C 1.551 1.01 0 CA-C-N 119.908 1.231 . . . . 0.0 112.637 168.253 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.508 2.453 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 63.2 mt -147.29 179.63 7.5 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 119.911 -1.743 . . . . 0.0 112.436 -173.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -105.91 167.87 9.05 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 127.192 2.197 . . . . 0.0 109.79 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -76.63 -41.47 0.42 Allowed 'Trans proline' 0 CA--C 1.54 0.779 0 CA-C-N 121.484 1.566 . . . . 0.0 113.108 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.58 -35.6 77.59 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.03 -35.68 77.53 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.601 -0.687 . . . . 0.0 112.406 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -56.83 -49.41 75.51 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.699 1.199 . . . . 0.0 110.004 173.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 75.2 m -58.1 -49.91 75.31 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.905 0.882 . . . . 0.0 111.931 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -65.23 -39.39 92.67 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.813 0.733 . . . . 0.0 112.329 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 36.5 t -62.2 -47.56 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.287 1.035 . . . . 0.0 111.644 173.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -60.09 -45.39 93.1 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.247 0.93 . . . . 0.0 111.317 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.28 66.24 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.274 0.63 . . . . 0.0 111.214 176.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.84 -54.31 47.92 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.718 0.807 . . . . 0.0 112.242 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -62.95 -27.78 69.63 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.546 -0.721 . . . . 0.0 112.813 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.26 -44.17 98.06 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.722 1.153 . . . . 0.0 113.4 171.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -71.82 -35.56 69.97 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 118.603 1.202 . . . . 0.0 111.38 174.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 71.4 t -59.13 -44.35 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.111 0.964 . . . . 0.0 111.29 174.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.72 -136.11 5.06 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.605 1.574 . . . . 0.0 115.406 169.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.94 -22.6 60.21 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -72.26 -11.79 60.87 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.536 1.134 . . . . 0.0 113.401 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.49 -45.78 26.62 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.697 1.199 . . . . 0.0 114.2 -175.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.76 -34.39 89.8 Favored Glycine 0 N--CA 1.469 0.88 0 CA-C-O 119.661 -0.522 . . . . 0.0 113.601 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -66.96 -46.05 75.86 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.945 0.898 . . . . 0.0 110.216 174.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -65.13 -35.85 82.4 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.703 -0.623 . . . . 0.0 111.56 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.42 -48.02 73.07 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 123.939 0.78 . . . . 0.0 112.454 170.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.6 -46.72 80.71 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.411 1.106 . . . . 0.0 111.797 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.74 -38.24 90.33 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.424 -0.798 . . . . 0.0 112.186 174.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.451 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -65.64 -40.11 92.17 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.534 -0.729 . . . . 0.0 112.329 177.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.56 -42.91 98.32 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.948 1.299 . . . . 0.0 111.67 171.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.59 -45.91 88.08 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.713 0.805 . . . . 0.0 112.008 176.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -36.09 81.48 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 121.124 -0.985 . . . . 0.0 112.66 173.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -61.77 -42.44 98.99 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.224 0.92 . . . . 0.0 111.225 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -62.55 1.68 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.947 0.899 . . . . 0.0 111.343 167.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.38 -34.73 61.13 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 119.743 -0.783 . . . . 0.0 113.043 -157.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -70.42 -20.19 62.93 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.02 68.88 11.68 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.435 1.094 . . . . 0.0 110.496 -166.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.47 -21.41 23.84 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 123.855 3.037 . . . . 0.0 116.08 -174.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 5.1 p -52.21 -26.67 12.26 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.786 1.635 . . . . 0.0 114.377 166.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 82.1 p -64.12 -37.49 87.66 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 120.865 -1.147 . . . . 0.0 113.258 170.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . 0.409 ' HA ' ' HE3' ' C' ' 40' ' ' LYS . 0.4 OUTLIER -68.26 -32.43 72.59 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -165.194 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 9.0 t -58.71 -25.66 63.13 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 175.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -67.37 -23.83 65.63 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.539 -1.35 . . . . 0.0 113.497 172.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -150.16 77.7 8.2 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 124.545 1.138 . . . . 0.0 112.513 178.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.85 -148.25 0.02 OUTLIER 'Trans proline' 0 CA--C 1.549 1.268 0 C-N-CA 123.808 3.005 . . . . 0.0 110.145 166.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.287 0.7 OUTLIER 57.5 12.46 1.51 Allowed 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.533 1.933 . . . . 0.0 116.072 -175.745 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -105.28 133.94 49.21 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.331 1.852 . . . . 0.0 110.704 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -99.85 80.31 2.31 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.467 1.507 . . . . 0.0 111.542 -177.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 47.5 mt -74.57 36.19 0.1 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.428 1.491 . . . . 0.0 114.518 -174.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -74.3 40.84 0.13 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 126.557 1.943 . . . . 0.0 113.348 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . 0.25 0.6 OUTLIER 55.54 151.42 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 130.725 3.61 . . . . 0.0 116.643 -164.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 46.59 37.54 8.85 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 126.075 1.798 . . . . 0.0 116.45 173.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 13.0 p -68.74 151.68 46.33 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -163.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.02 -18.7 59.17 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.573 1.149 . . . . 0.0 113.792 173.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -90.57 -45.18 9.08 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.479 1.112 . . . . 0.0 111.51 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 98.1 t -68.66 -36.41 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 O-C-N 121.188 -0.945 . . . . 0.0 111.697 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -45.76 90.3 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.675 1.125 . . . . 0.0 112.187 173.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.6 -51.19 37.83 Favored Glycine 0 N--CA 1.471 0.971 0 C-N-CA 124.034 0.826 . . . . 0.0 111.788 -177.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -54.33 -42.59 70.37 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.484 0.713 . . . . 0.0 111.391 171.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.17 -51.86 47.76 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 121.076 -1.015 . . . . 0.0 114.085 170.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -58.97 -37.68 77.35 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 118.856 1.328 . . . . 0.0 112.506 175.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.69 -49.56 58.02 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 118.443 -0.789 . . . . 0.0 112.605 175.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 84.9 t -55.04 -44.52 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 CA-C-N 119.913 1.233 . . . . 0.0 110.771 173.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.54 69.54 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 174.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -59.17 -38.76 80.54 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.134 0.879 . . . . 0.0 112.29 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.9 -37.5 87.63 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 171.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -42.9 97.24 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.484 0.584 . . . . 0.0 111.325 171.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 21.7 m -59.1 -44.99 92.0 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.64 1.109 . . . . 0.0 111.86 171.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -59.87 -42.93 94.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.379 1.072 . . . . 0.0 111.959 174.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.29 -50.63 72.93 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.46 -0.775 . . . . 0.0 111.56 170.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 73.6 t -55.43 -39.93 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 CA-C-N 119.489 1.04 . . . . 0.0 112.101 175.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.24 -23.48 65.71 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -144.45 41.22 1.34 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.099 1.36 . . . . 0.0 111.748 -173.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 p -64.37 -12.55 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 -161.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.4 -7.02 20.19 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 169.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -114.12 -2.74 13.37 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.258 1.823 . . . . 0.0 112.627 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 76' ' ' MET . . . . . 0.407 ' HA ' ' HB3' ' C' ' 79' ' ' ALA . 23.4 ptt? -56.21 -20.52 0.55 Allowed Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 118.099 2.629 . . . . 0.0 118.099 178.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -47.96 -37.49 29.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 CA-C-N 123.856 2.413 . . . . 0.0 113.992 165.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -88.93 -41.12 12.6 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.662 0.785 . . . . 0.0 112.486 175.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 79' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' C' ' 76' ' ' MET . . . -67.8 -11.43 58.5 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -177.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 62.8 mt -110.86 7.36 21.84 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.362 1.465 . . . . 0.0 113.223 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 69.4 m -53.33 -36.87 61.77 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.91 1.232 . . . . 0.0 114.086 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.58 -28.11 65.25 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 174.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 mt -86.39 -35.81 19.55 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.343 1.057 . . . . 0.0 111.069 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 37.8 m -63.27 -34.42 77.64 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.088 -0.958 . . . . 0.0 112.149 165.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.0 -51.22 68.9 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 120.341 1.428 . . . . 0.0 112.218 167.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 tp -49.05 -45.01 42.25 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.923 0.783 . . . . 0.0 111.854 173.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -70.41 -70.15 0.31 Allowed 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.584 -0.698 . . . . 0.0 110.823 175.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.04 -14.76 25.67 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -171.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -130.68 10.19 5.11 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.318 1.447 . . . . 0.0 113.091 -171.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -138.74 -50.76 0.55 Allowed 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 174.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.98 -12.3 2.21 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 44.38 33.86 0.95 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 128.233 2.613 . . . . 0.0 115.852 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 17.6 t -56.82 135.35 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 -165.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -45.59 121.29 5.26 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 126.062 1.745 . . . . 0.0 112.585 174.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -46.19 -18.99 0.5 Allowed 'Trans proline' 0 C--N 1.352 0.746 1 C-N-CA 125.414 4.076 . . . . 0.0 117.15 176.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 10.4 p -51.06 -39.44 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-N 120.358 1.436 . . . . 0.0 111.989 168.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -57.9 -37.52 74.17 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.751 1.621 . . . . 0.0 112.522 174.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -63.14 -52.48 62.34 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.406 172.389 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -54.16 -44.22 71.29 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 119.288 0.949 . . . . 0.0 110.765 -172.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 55.1 mt -55.06 -64.36 0.86 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.426 1.09 . . . . 0.0 110.589 173.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -35.43 73.41 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.703 0.801 . . . . 0.0 113.101 -177.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 17.9 t -60.68 -51.76 68.0 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.334 1.054 . . . . 0.0 111.913 174.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -59.71 -39.49 84.78 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.922 -0.486 . . . . 0.0 111.068 174.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 104' ' ' CYS . . . . . 0.451 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 55.9 m -59.24 -47.01 86.95 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 118.679 -0.676 . . . . 0.0 111.917 174.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.83 -49.78 76.09 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 123.667 0.787 . . . . 0.0 111.729 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 4.8 mt -51.2 -39.37 56.33 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.85 0.46 . . . . 0.0 111.726 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 34.9 t -68.62 -51.71 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 118.285 -0.864 . . . . 0.0 112.936 170.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 46.0 p -64.9 -36.45 84.41 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.525 1.511 . . . . 0.0 112.832 -172.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.89 -48.22 80.49 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 120.423 1.465 . . . . 0.0 109.983 170.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . 0.406 ' CB ' ' CE1' ' D' ' 116' ' ' HIS . . . -71.08 -20.39 62.36 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -172.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.56 -13.3 20.46 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 170.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -132.03 -13.38 3.18 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -173.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 11.0 mp -98.34 155.04 37.33 Favored Pre-proline 0 CA--C 1.556 1.176 0 C-N-CA 124.983 1.313 . . . . 0.0 110.356 175.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -57.0 -33.72 96.16 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 123.489 2.793 . . . . 0.0 115.639 -171.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.3 -46.0 0.17 Allowed 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 58.62 -9.21 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -175.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -119.32 6.62 11.17 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 1.9 p -47.26 150.07 1.63 Allowed Pre-proline 0 N--CA 1.473 0.708 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -52.22 -31.86 47.9 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 CA-C-N 120.177 1.099 . . . . 0.0 114.811 -172.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.33 -47.41 27.87 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 168.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.82 -43.24 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 120.598 -1.314 . . . . 0.0 113.398 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.71 -39.48 88.06 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 122.171 2.26 . . . . 0.0 111.646 176.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.23 -58.31 8.52 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 122.851 0.46 . . . . 0.0 110.251 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 61.2 p -62.04 -51.96 65.89 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-O 118.313 -0.851 . . . . 0.0 113.271 -177.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.66 -39.62 91.56 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.547 1.067 . . . . 0.0 112.024 -177.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.09 -50.59 61.09 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 120.07 1.305 . . . . 0.0 111.936 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -26.19 66.88 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -68.55 -51.23 45.11 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.655 1.182 . . . . 0.0 112.173 168.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -58.27 -34.05 70.08 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 120.693 -1.255 . . . . 0.0 111.919 173.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.35 -35.16 68.47 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 173.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 89.9 p -69.96 -43.27 71.89 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 119.98 -1.7 . . . . 0.0 110.858 171.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 53.4 t -53.53 -51.75 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.435 1.494 . . . . 0.0 111.063 170.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 86.2 p -64.68 -39.93 94.52 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.469 1.031 . . . . 0.0 113.055 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 4.0 m -51.91 -55.84 17.72 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 118.887 0.767 . . . . 0.0 110.253 170.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 30.6 m -69.65 -27.57 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -176.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.63 -12.33 59.96 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 119.28 0.946 . . . . 0.0 112.87 171.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 97.2 m -96.65 -28.52 14.29 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.361 1.464 . . . . 0.0 111.722 171.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 N--CA 1.473 0.676 0 C-N-CA 124.883 1.273 . . . . 0.0 112.44 170.149 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.326 2.2 p . . . . . 0 N--CA 1.513 2.715 0 CA-C-O 117.083 -1.437 . . . . 0.0 113.139 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 75.9 t60 14.08 83.96 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 128.292 2.637 . . . . 0.0 116.256 -172.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.01 161.11 8.83 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.43 0.692 . . . . 0.0 111.312 177.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 2.4 p -64.83 155.53 82.56 Favored Pre-proline 0 N--CA 1.48 1.065 0 O-C-N 121.663 -0.648 . . . . 0.0 109.575 163.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -55.83 -41.21 79.61 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 122.394 2.063 . . . . 0.0 113.781 175.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -68.18 -42.53 79.83 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.169 0.588 . . . . 0.0 111.577 177.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.41 -43.45 97.46 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.23 0.612 . . . . 0.0 111.208 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -54.78 -53.09 59.64 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.589 0.756 . . . . 0.0 111.256 172.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m -55.67 -41.83 74.23 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.179 0.9 . . . . 0.0 111.958 176.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.75 98.81 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 p -69.58 -56.64 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 120.112 1.323 . . . . 0.0 111.411 171.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -67.74 -36.18 80.09 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.221 0.919 . . . . 0.0 113.224 -168.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.74 88.68 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 120.08 1.309 . . . . 0.0 112.277 175.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 tt -72.58 -28.24 62.68 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.596 -0.69 . . . . 0.0 111.5 173.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -63.84 -41.13 97.9 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.276 -0.89 . . . . 0.0 111.339 166.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.51 -27.96 49.73 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 125.599 1.571 . . . . 0.0 115.512 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -100.25 -5.81 26.96 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.626 1.171 . . . . 0.0 113.939 174.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.16 138.5 23.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.485 1.114 . . . . 0.0 111.923 -174.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -88.9 67.25 8.17 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.15 0.98 . . . . 0.0 111.174 -175.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 48.8 t -39.74 -45.03 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -164.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -63.16 -57.3 11.01 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.043 0.937 . . . . 0.0 112.473 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -70.0 -52.3 25.35 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.101 0.96 . . . . 0.0 111.053 -175.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.07 -29.41 46.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 125.9 1.68 . . . . 0.0 112.41 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.9 -40.32 10.73 Favored Glycine 0 C--N 1.341 0.817 0 C-N-CA 124.245 0.926 . . . . 0.0 112.305 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.76 -41.31 99.02 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-N 118.306 1.053 . . . . 0.0 111.937 167.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -64.76 -41.08 96.15 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 118.0 -1.0 . . . . 0.0 112.803 171.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.46 -57.63 12.13 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 120.704 1.593 . . . . 0.0 111.415 174.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 31.1 tp -65.86 -39.7 90.98 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.414 -0.804 . . . . 0.0 112.416 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.39 -47.3 85.86 Favored Glycine 0 N--CA 1.469 0.861 0 CA-C-N 119.04 0.836 . . . . 0.0 112.409 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -52.3 -37.56 56.09 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.959 1.304 . . . . 0.0 112.897 172.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.12 -48.99 22.89 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.431 0.692 . . . . 0.0 111.035 176.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . 0.559 HD21 ' CE2' ' D' ' 45' ' ' PHE . 1.3 mm? -75.65 -30.93 59.61 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.236 -0.915 . . . . 0.0 112.457 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 1.1 m -70.78 -11.9 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-N 119.083 0.856 . . . . 0.0 113.228 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.82 -0.74 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 CA-C-N 120.439 1.472 . . . . 0.0 113.504 170.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 12.4 t80 45.74 47.08 3.65 Favored Pre-proline 0 CA--C 1.56 1.352 0 C-N-CA 125.652 1.581 . . . . 0.0 114.266 -166.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -81.72 170.04 14.55 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 123.129 2.553 . . . . 0.0 114.197 -171.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 4.9 p90 -57.67 -28.8 64.1 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 168.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -61.09 -21.72 63.95 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.497 1.519 . . . . 0.0 113.878 174.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -57.88 -24.16 56.37 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.605 1.093 . . . . 0.0 112.895 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.11 -33.8 8.79 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.743 1.217 . . . . 0.0 113.381 171.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -92.77 11.5 26.72 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.436 1.494 . . . . 0.0 113.67 -177.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -60.59 -15.76 31.25 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -50.59 -17.1 0.45 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 172.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 52.6 m -96.64 9.97 39.99 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.793 1.637 . . . . 0.0 114.815 174.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . 0.559 ' CE2' HD21 ' D' ' 32' ' ' LEU . 20.1 m-85 -110.54 -20.35 12.59 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 120.266 -1.521 . . . . 0.0 114.66 -172.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.47 -7.67 17.45 Favored Glycine 0 CA--C 1.54 1.646 0 N-CA-C 117.234 1.654 . . . . 0.0 117.234 170.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -151.33 -130.46 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 119.393 1.597 . . . . 0.0 111.522 -177.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 65.86 8.23 5.17 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.079 2.152 . . . . 0.0 115.449 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 88.3 p -58.17 -16.93 15.35 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 58.7 p -129.82 158.88 72.39 Favored Pre-proline 0 N--CA 1.471 0.621 0 C-N-CA 124.971 1.309 . . . . 0.0 110.324 154.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.05 -42.57 65.26 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 122.582 2.188 . . . . 0.0 114.258 172.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -59.53 -36.76 76.76 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.355 -0.84 . . . . 0.0 111.854 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.59 -36.82 85.48 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 176.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.65 -40.0 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 120.693 1.588 . . . . 0.0 112.688 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 5.1 ttm -80.5 -16.91 53.15 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -176.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -103.21 -22.91 8.82 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 125.211 1.386 . . . . 0.0 115.039 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -54.04 120.21 23.45 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.17 1.388 . . . . 0.0 111.974 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -61.23 -29.56 86.71 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.463 2.108 . . . . 0.0 113.127 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -63.29 -38.79 92.54 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.797 1.18 . . . . 0.0 112.16 171.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 70.4 t -69.63 -34.52 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 119.518 1.054 . . . . 0.0 111.753 174.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -67.04 -50.16 62.89 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 120.231 1.378 . . . . 0.0 111.717 173.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.18 -49.18 78.66 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.557 1.143 . . . . 0.0 112.519 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -67.45 -32.93 74.12 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.935 -1.103 . . . . 0.0 111.929 176.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.52 -47.94 80.19 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 126.295 1.902 . . . . 0.0 113.377 168.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -56.89 -44.46 82.35 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 117.969 0.884 . . . . 0.0 111.042 169.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -61.85 -50.41 72.36 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.746 0.818 . . . . 0.0 112.779 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 p -60.25 -45.29 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 CA-C-N 119.796 1.18 . . . . 0.0 112.35 174.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.87 -33.67 68.57 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.22 -0.925 . . . . 0.0 112.211 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.9 -34.87 78.04 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.242 1.401 . . . . 0.0 113.211 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.52 -50.98 71.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.635 1.218 . . . . 0.0 110.459 165.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -54.08 -38.94 65.87 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 120.918 -1.114 . . . . 0.0 113.633 173.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 1.3 p -65.31 -36.36 83.83 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.841 -1.162 . . . . 0.0 113.425 173.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -27.08 68.12 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.461 -0.774 . . . . 0.0 112.197 169.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.87 -63.04 5.63 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 166.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 mt -53.9 -33.78 57.58 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 176.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.49 -24.48 59.02 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 176.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -141.08 40.59 1.79 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.134 1.374 . . . . 0.0 113.263 -172.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 77.8 mt -55.92 -21.5 20.86 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 176.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -59.19 -38.62 80.3 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.875 1.27 . . . . 0.0 113.576 175.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -161.25 61.76 0.28 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.357 1.063 . . . . 0.0 113.227 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 81' ' ' LEU . . . . . 0.497 ' H ' HD23 ' D' ' 81' ' ' LEU . 0.5 OUTLIER -61.23 -18.54 58.84 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -179.351 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -55.45 -30.99 61.56 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.688 -1.257 . . . . 0.0 113.289 173.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.74 -23.63 41.67 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.299 0.952 . . . . 0.0 114.484 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.89 -16.73 43.25 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 118.993 1.396 . . . . 0.0 113.562 -178.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -113.49 1.0 14.88 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -174.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.45 -35.28 38.9 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 121.066 1.757 . . . . 0.0 115.555 -168.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 22.0 p -66.44 -40.24 89.36 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.419 1.088 . . . . 0.0 113.041 173.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 23.0 mt -67.07 -47.66 70.59 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 123.559 0.744 . . . . 0.0 110.008 171.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 4.5 m -55.97 -40.76 73.74 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.285 0.948 . . . . 0.0 112.194 177.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -60.24 -53.07 62.08 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.713 0.805 . . . . 0.0 111.593 171.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 44.9 tp -52.88 -46.16 67.79 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.118 -0.989 . . . . 0.0 111.932 174.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -80.38 -13.53 59.07 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.838 -1.164 . . . . 0.0 113.771 -174.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 42.0 t -102.38 -75.89 0.59 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.833 0.853 . . . . 0.0 110.18 169.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.5 -21.71 64.46 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.013 1.725 . . . . 0.0 115.158 -171.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -111.14 -20.22 12.43 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 175.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 80.4 mt -127.7 -34.87 2.16 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -176.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 35.32 19.09 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 130.239 3.416 . . . . 0.0 119.692 -175.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 1.4 m -51.34 149.44 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 125.463 1.505 . . . . 0.0 113.5 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.96 141.62 95.48 Favored Pre-proline 0 CA--C 1.555 1.146 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -45.49 -39.03 16.75 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 125.158 3.906 . . . . 0.0 116.472 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -51.76 -27.07 10.94 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 173.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -65.04 -44.33 89.42 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.855 -1.153 . . . . 0.0 110.808 175.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -67.28 -43.96 80.48 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.274 1.029 . . . . 0.0 110.151 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -43.29 80.38 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.52 1.128 . . . . 0.0 112.06 172.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 105' ' ' LEU . . . . . 0.403 ' O ' HG13 ' D' ' 109' ' ' VAL . 10.2 tt -62.57 -47.28 84.52 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.057 0.943 . . . . 0.0 111.497 173.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.31 -41.51 69.05 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.327 0.967 . . . . 0.0 111.046 173.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.33 -48.39 80.81 Favored Glycine 0 CA--C 1.523 0.578 0 CA-C-O 118.823 -0.987 . . . . 0.0 113.958 171.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -52.48 -50.76 62.06 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.041 1.421 . . . . 0.0 111.406 172.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 109' ' ' VAL . . . . . 0.403 HG13 ' O ' ' D' ' 105' ' ' LEU . 0.7 OUTLIER -62.18 -38.26 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 O-C-N 121.514 -0.741 . . . . 0.0 111.872 -179.301 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.09 -57.54 10.27 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.476 1.111 . . . . 0.0 111.797 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 111' ' ' VAL . . . . . 0.457 HG12 ' HB3' ' D' ' 130' ' ' TYR . 12.2 m -60.8 -32.01 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 119.001 0.819 . . . . 0.0 111.586 -175.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 69.2 m -59.76 -46.14 90.09 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 117.523 -1.227 . . . . 0.0 112.812 173.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.64 -44.24 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 CA-C-N 121.75 2.068 . . . . 0.0 113.294 -175.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 114' ' ' LEU . . . . . 0.432 ' HG ' ' H ' ' D' ' 114' ' ' LEU . 0.2 OUTLIER -65.63 -36.57 84.07 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 125.166 1.387 . . . . 0.0 110.034 -176.725 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 115' ' ' ALA . . . . . 0.483 ' HB2' ' CD1' ' D' ' 122' ' ' PHE . . . -66.52 -7.1 17.66 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 173.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 116' ' ' HIS . . . . . 0.406 ' CE1' ' CB ' ' C' ' 110' ' ' ALA . 0.8 OUTLIER -109.75 -41.74 4.45 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.621 1.1 . . . . 0.0 111.0 -176.807 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -63.6 -38.33 90.72 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.757 -0.589 . . . . 0.0 112.145 164.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -127.38 25.0 6.18 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.763 1.225 . . . . 0.0 112.872 -167.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -48.11 -35.18 13.4 Favored Glycine 0 N--CA 1.481 1.668 0 C-N-CA 125.163 1.363 . . . . 0.0 115.512 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -55.28 -34.54 64.19 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 126.011 1.724 . . . . 0.0 113.885 172.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -104.93 -20.16 13.64 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.499 1.92 . . . . 0.0 112.736 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 122' ' ' PHE . . . . . 0.483 ' CD1' ' HB2' ' D' ' 115' ' ' ALA . 11.1 t80 -78.28 71.78 4.77 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.812 1.645 . . . . 0.0 111.905 -178.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 69.4 p -61.59 161.59 19.52 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 124.747 1.219 . . . . 0.0 112.15 175.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -43.72 -50.19 7.35 Favored 'Trans proline' 0 CA--C 1.55 1.291 0 C-N-CA 123.196 2.597 . . . . 0.0 115.014 166.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -65.53 -33.13 47.32 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.965 1.777 . . . . 0.0 115.478 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 14.6 t -52.17 -43.99 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 CA-C-N 120.567 1.53 . . . . 0.0 111.864 172.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.7 -43.02 99.66 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.155 -0.965 . . . . 0.0 112.147 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.25 -30.02 70.82 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.173 0.989 . . . . 0.0 113.411 175.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.53 -55.37 13.77 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.478 0.581 . . . . 0.0 111.036 172.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 130' ' ' TYR . . . . . 0.457 ' HB3' HG12 ' D' ' 111' ' ' VAL . 31.3 m-85 -56.06 -44.07 78.55 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.665 -0.647 . . . . 0.0 112.438 177.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -55.85 -42.42 75.77 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.55 -0.718 . . . . 0.0 112.713 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -64.93 -44.02 90.84 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 119.747 1.158 . . . . 0.0 113.346 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 2.1 p -70.35 -38.4 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 O-C-N 121.228 -0.92 . . . . 0.0 112.35 175.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.84 -36.84 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.583 -0.698 . . . . 0.0 111.957 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.2 95.15 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.195 -0.941 . . . . 0.0 111.865 169.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.84 -48.76 75.84 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 121.825 -0.547 . . . . 0.0 112.759 169.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.64 -45.69 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 118.125 0.962 . . . . 0.0 111.848 174.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.75 76.3 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.129 0.572 . . . . 0.0 111.459 177.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -35.45 80.97 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.849 -0.532 . . . . 0.0 111.613 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.93 77.09 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.495 0.589 . . . . 0.0 112.042 175.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.18 -33.64 76.23 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.816 1.189 . . . . 0.0 111.793 172.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.79 -9.07 53.24 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 170.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -51.16 -42.77 61.02 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.372 -1.455 . . . . 0.0 113.759 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -70.58 1.33 5.33 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -60.11 -17.05 37.29 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 120.033 1.288 . . . . 0.0 112.631 168.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 . . . . . 0 C--O 1.254 1.323 0 C-N-CA 126.556 1.943 . . . . 0.0 112.884 174.627 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.514 2.726 0 N-CA-C 116.33 1.974 . . . . 0.0 116.33 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.531 HD13 ' CG2' ' A' ' 73' ' ' VAL . 5.1 mp -130.28 -169.51 2.15 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 121.681 2.037 . . . . 0.0 111.091 -174.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 t 150.4 -35.71 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.721 0 C-N-CA 129.994 3.318 . . . . 0.0 115.421 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -57.66 -176.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 124.466 3.444 . . . . 0.0 116.02 177.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.55 -27.45 1.13 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.531 1.532 . . . . 0.0 115.053 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -54.65 -44.14 72.99 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.822 1.249 . . . . 0.0 113.244 171.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -58.39 -50.83 72.27 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.782 0.833 . . . . 0.0 110.531 170.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.3 m -57.25 -42.34 81.34 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.816 0.846 . . . . 0.0 111.799 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.08 -41.45 77.52 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.123 0.969 . . . . 0.0 112.488 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.99 -38.28 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 119.369 0.986 . . . . 0.0 111.944 173.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -57.01 -47.71 80.22 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.532 1.133 . . . . 0.0 111.716 169.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.66 -51.5 69.67 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.281 0.632 . . . . 0.0 111.448 175.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.6 -54.4 47.47 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.974 0.51 . . . . 0.0 112.155 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -63.89 -29.4 70.59 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.153 -0.967 . . . . 0.0 112.954 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.95 -39.39 96.45 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.457 1.027 . . . . 0.0 113.21 170.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -69.08 -38.15 78.85 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 118.675 1.237 . . . . 0.0 111.605 171.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.8 t -59.28 -53.06 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.729 1.212 . . . . 0.0 111.51 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.64 -128.6 4.0 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.465 1.031 . . . . 0.0 114.442 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.42 -21.99 52.69 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -72.76 -8.27 54.63 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 175.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.469 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -49.58 -50.12 43.76 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.176 0.898 . . . . 0.0 113.244 -178.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.56 -36.56 93.31 Favored Glycine 0 N--CA 1.47 0.917 0 O-C-N 122.005 -0.435 . . . . 0.0 113.544 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.24 -49.89 73.91 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.485 1.114 . . . . 0.0 111.274 171.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -63.45 -37.55 87.71 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.433 1.015 . . . . 0.0 112.237 175.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.32 -60.09 9.39 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.302 0.953 . . . . 0.0 111.66 170.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.07 72.4 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.676 1.19 . . . . 0.0 112.247 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.72 -33.42 71.59 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.787 1.235 . . . . 0.0 113.214 174.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.75 -36.33 70.39 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.135 0.88 . . . . 0.0 111.77 174.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 mt -62.16 -49.38 76.06 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 118.654 0.661 . . . . 0.0 110.314 170.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -56.03 -54.29 46.71 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.096 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -51.46 -51.36 55.69 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 117.914 -1.041 . . . . 0.0 111.378 173.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 57.1 ttp -53.89 -44.56 70.59 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.978 0.808 . . . . 0.0 113.175 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -67.23 -25.38 66.07 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 pp -112.02 -17.93 12.74 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -175.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.7 p -82.39 -28.49 31.42 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.161 1.384 . . . . 0.0 112.993 164.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -141.57 70.7 25.89 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 124.868 1.267 . . . . 0.0 110.794 -175.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -46.81 -28.06 6.37 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 125.006 3.804 . . . . 0.0 116.491 -175.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -16.51 1.42 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.979 2.111 . . . . 0.0 114.47 171.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.3 p -79.67 -23.52 42.41 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.583 -1.323 . . . . 0.0 113.806 173.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -58.57 -32.52 69.01 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.111 1.323 . . . . 0.0 113.732 -177.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.2 t -62.77 -26.21 68.6 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -74.53 3.92 6.9 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.196 0.998 . . . . 0.0 112.714 173.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -126.46 62.71 49.24 Favored Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 127.105 2.162 . . . . 0.0 110.593 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -73.47 2.38 5.8 Favored 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 124.367 3.378 . . . . 0.0 115.663 -172.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -139.94 25.64 2.31 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.081 1.352 . . . . 0.0 113.112 -169.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.91 167.33 13.7 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.668 1.187 . . . . 0.0 113.543 -164.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -117.77 110.82 18.28 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.901 1.281 . . . . 0.0 109.573 176.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.07 3.86 18.98 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.958 1.303 . . . . 0.0 112.97 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.3 m -49.53 138.32 13.87 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.992 1.717 . . . . 0.0 112.489 175.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.45 127.38 31.79 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.732 -0.605 . . . . 0.0 111.51 -177.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.23 15.32 81.67 Favored Glycine 0 CA--C 1.539 1.56 0 CA-C-O 118.734 -1.037 . . . . 0.0 115.35 -176.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.6 t -48.11 121.79 4.6 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.409 1.484 . . . . 0.0 113.524 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.52 -36.55 55.68 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.902 1.281 . . . . 0.0 112.903 176.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -66.8 -38.13 85.9 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.19 0.596 . . . . 0.0 111.998 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.4 t -66.85 -40.39 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 O-C-N 121.492 -0.755 . . . . 0.0 111.066 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -59.66 -51.53 69.38 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 118.966 0.803 . . . . 0.0 110.536 172.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.27 -47.14 92.58 Favored Glycine 0 N--CA 1.471 1.024 0 C-N-CA 124.886 1.231 . . . . 0.0 113.33 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -63.85 -41.03 97.89 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.165 0.983 . . . . 0.0 111.55 172.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.4 -48.43 54.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 121.188 -0.945 . . . . 0.0 113.744 171.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -57.61 -39.83 77.74 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.006 0.922 . . . . 0.0 112.05 172.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -47.94 69.71 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 176.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 66.1 t -56.5 -44.79 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-N 120.433 1.47 . . . . 0.0 111.087 173.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.469 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -59.9 -51.5 69.44 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 175.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -59.71 -34.72 73.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.268 0.627 . . . . 0.0 111.641 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.72 -36.18 82.87 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.714 -1.241 . . . . 0.0 113.998 169.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.14 -40.21 94.1 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.718 1.145 . . . . 0.0 111.277 169.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 56.1 m -60.65 -43.45 97.56 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.479 1.036 . . . . 0.0 112.309 170.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -61.07 -42.69 98.98 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.808 1.643 . . . . 0.0 111.919 175.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.4 -51.85 67.73 Favored 'General case' 0 C--O 1.22 -0.449 0 O-C-N 121.152 -0.967 . . . . 0.0 111.137 168.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.6 t -54.57 -31.85 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.798 1.239 . . . . 0.0 113.386 177.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.52 -24.89 56.86 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 175.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -138.95 18.98 2.64 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.611 1.165 . . . . 0.0 113.805 -167.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.531 ' CG2' HD13 ' A' ' 2' ' ' LEU . 6.9 p -58.78 -25.62 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 O-C-N 120.302 -1.499 . . . . 0.0 114.46 -170.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -80.34 -9.35 59.74 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 121.058 -1.026 . . . . 0.0 113.119 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -135.09 21.05 3.46 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 128.183 2.593 . . . . 0.0 111.277 -175.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.8 ttm -58.96 -32.76 13.74 Favored Pre-proline 0 CA--C 1.551 0.985 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -162.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -53.49 23.85 0.02 OUTLIER 'Trans proline' 0 CA--C 1.555 1.543 1 C-N-CA 127.221 5.281 . . . . 0.0 119.031 168.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -143.86 -40.74 0.28 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 127.24 2.216 . . . . 0.0 110.835 173.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.42 -35.64 79.86 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.2 mt -92.66 6.2 48.27 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.3 m -58.07 -33.42 69.03 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.246 1.385 . . . . 0.0 114.645 -174.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.24 -33.44 73.51 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.062 -1.024 . . . . 0.0 112.66 171.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.8 mt -80.81 -39.98 25.75 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 124.399 1.08 . . . . 0.0 111.366 -178.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 94.3 p -66.65 -33.15 75.01 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 118.524 -0.75 . . . . 0.0 112.004 170.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -53.82 51.67 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.623 1.101 . . . . 0.0 111.221 168.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 31.6 tp -52.16 -64.88 0.67 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.052 0.541 . . . . 0.0 110.485 171.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.29 7.54 0.14 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 126.188 1.795 . . . . 0.0 115.32 -173.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -130.15 -34.82 1.63 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.185 1.394 . . . . 0.0 113.067 173.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -79.84 -34.69 39.2 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.696 0.798 . . . . 0.0 112.596 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -154.4 119.48 5.01 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.919 1.288 . . . . 0.0 111.181 -177.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 70.04 93.82 0.08 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.193 1.797 . . . . 0.0 110.168 -173.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.499 HH21 HG13 ' D' ' 98' ' ' VAL . 0.0 OUTLIER -62.75 -10.82 14.15 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 -172.256 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.0 t 30.66 89.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 C-N-CA 128.407 2.683 . . . . 0.0 114.292 -173.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -55.25 135.4 68.9 Favored Pre-proline 0 CA--C 1.546 0.808 0 CA-C-O 118.0 -1.0 . . . . 0.0 112.027 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -45.38 -30.49 5.62 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.607 2.871 . . . . 0.0 115.79 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.2 p -56.92 -40.5 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 120.731 -1.231 . . . . 0.0 112.773 174.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -68.92 -35.22 76.56 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 120.845 -1.16 . . . . 0.0 112.215 -175.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -46.97 64.69 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.053 0.388 . . . . 0.0 110.327 168.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -63.64 -39.1 93.5 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.137 0.575 . . . . 0.0 110.62 -174.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.0 mt -59.18 -56.19 25.31 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.571 0.748 . . . . 0.0 111.239 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -37.21 86.64 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.79 0.723 . . . . 0.0 111.54 -178.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.6 t -59.0 -48.46 81.51 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.71 1.204 . . . . 0.0 112.314 173.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -56.8 -44.03 81.52 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.13 -0.981 . . . . 0.0 111.709 172.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 71.9 m -63.78 -37.68 88.29 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 175.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 35.7 mt -60.92 -46.66 89.77 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.463 1.028 . . . . 0.0 111.925 172.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 75.1 mt -53.38 -47.68 69.27 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.525 1.057 . . . . 0.0 110.732 174.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.6 t -55.94 -48.12 79.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 118.735 -0.65 . . . . 0.0 112.423 174.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.5 p -68.27 -40.15 81.94 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.753 1.615 . . . . 0.0 113.284 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.0 -44.1 87.01 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.592 1.087 . . . . 0.0 110.091 175.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.83 -30.77 64.09 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 175.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.74 -7.83 23.87 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -135.3 -43.82 0.7 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.45 1.1 . . . . 0.0 113.905 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.52 166.36 42.84 Favored Pre-proline 0 CA--C 1.562 1.422 0 C-N-CA 123.587 0.755 . . . . 0.0 109.388 172.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -58.71 -136.29 0.0 OUTLIER 'Trans proline' 0 CA--C 1.551 1.361 1 C-N-CA 125.806 4.337 . . . . 0.0 115.861 174.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.43 28.02 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.156 0 O-C-N 119.214 -2.179 . . . . 0.0 114.613 172.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.21 -19.74 2.19 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 129.439 3.096 . . . . 0.0 117.147 -151.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.535 ' CE2' HG12 ' B' ' 113' ' ' VAL . 20.8 p90 -74.03 37.65 0.1 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.814 2.046 . . . . 0.0 109.476 161.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.01 167.7 29.35 Favored Pre-proline 0 N--CA 1.488 1.454 0 C-N-CA 126.157 1.783 . . . . 0.0 112.041 -170.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.94 -40.11 58.59 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.032 1.822 . . . . 0.0 114.924 174.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.69 -58.51 2.78 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.854 0.462 . . . . 0.0 109.961 174.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.66 -30.14 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 121.018 -1.051 . . . . 0.0 112.663 -168.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.62 -50.02 54.69 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 120.497 -1.377 . . . . 0.0 111.705 170.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.99 -39.86 79.29 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.982 0.81 . . . . 0.0 110.312 176.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.3 m -58.98 -60.87 3.18 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 125.58 1.552 . . . . 0.0 111.905 174.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 52.4 mt -64.85 -39.62 93.86 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 117.862 -1.066 . . . . 0.0 112.019 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -55.56 -56.5 19.58 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 120.45 1.477 . . . . 0.0 111.798 173.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -33.27 71.73 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -69.08 -50.28 49.77 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.604 1.093 . . . . 0.0 111.369 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.3 -39.58 87.44 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.122 0.873 . . . . 0.0 110.611 172.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.19 80.43 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.835 1.198 . . . . 0.0 113.179 172.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.8 p -68.59 -40.53 80.43 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.861 1.21 . . . . 0.0 112.401 171.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 78.2 t -55.39 -50.14 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.9 t -50.93 -61.92 1.92 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.333 1.053 . . . . 0.0 112.329 171.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 51.6 m -47.54 -34.86 8.14 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.0 1.32 . . . . 0.0 113.446 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 89.5 t -83.75 -45.12 18.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.545 0.738 . . . . 0.0 111.907 177.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.97 -27.92 69.18 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.285 1.034 . . . . 0.0 113.34 175.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 36.1 p -103.3 10.94 37.31 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 127.421 2.289 . . . . 0.0 112.551 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 40.2 t . . . . . 0 N--CA 1.477 0.924 0 C-N-CA 125.781 1.632 . . . . 0.0 113.077 -175.073 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.298 4.7 p . . . . . 0 N--CA 1.515 2.784 0 CA-C-O 116.765 -1.588 . . . . 0.0 113.726 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -1.26 88.73 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 128.587 2.755 . . . . 0.0 115.678 -169.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.33 161.64 19.19 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 122.16 -0.337 . . . . 0.0 110.866 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.04 148.79 94.54 Favored Pre-proline 0 N--CA 1.479 0.992 0 CA-C-O 118.362 -0.828 . . . . 0.0 109.069 163.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -52.7 -41.74 67.32 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 123.287 2.658 . . . . 0.0 115.598 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -69.93 -35.55 74.64 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.373 -0.83 . . . . 0.0 112.295 177.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.51 -44.77 73.96 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.56 -0.712 . . . . 0.0 111.484 172.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.99 -47.23 68.39 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.146 0.978 . . . . 0.0 111.161 170.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.9 t -57.52 -48.39 79.4 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.113 0.87 . . . . 0.0 111.188 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.21 -49.87 74.65 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.695 HG23 ' CE1' ' B' ' 130' ' ' TYR . 2.3 p -65.22 -52.23 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 119.792 1.178 . . . . 0.0 111.882 175.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -71.61 -35.91 70.63 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.156 0.889 . . . . 0.0 111.951 -164.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.62 94.27 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.544 0.611 . . . . 0.0 112.194 172.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 tt -73.0 -35.0 66.74 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.422 -0.799 . . . . 0.0 111.627 177.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -29.42 70.7 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.73 -1.231 . . . . 0.0 113.103 165.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.04 -41.18 98.65 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.37 0.986 . . . . 0.0 113.247 175.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -84.13 -18.19 37.62 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 175.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.436 HG21 HD21 ' B' ' 114' ' ' LEU . 0.3 OUTLIER -56.7 137.87 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 121.694 0.759 . . . . 0.0 112.971 -172.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -83.48 72.23 10.27 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.708 1.203 . . . . 0.0 110.173 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 76.2 t -41.69 -49.03 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 125.581 1.552 . . . . 0.0 115.171 -164.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.91 -49.89 74.37 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.992 1.317 . . . . 0.0 114.29 174.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -70.18 -55.13 10.11 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.152 0.581 . . . . 0.0 110.63 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.49 -37.53 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 124.638 1.175 . . . . 0.0 112.249 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.43 -42.75 26.71 Favored Glycine 0 C--N 1.339 0.711 0 C-N-CA 123.876 0.751 . . . . 0.0 111.376 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.42 -43.76 97.18 Favored Glycine 0 CA--C 1.525 0.688 0 CA-C-N 117.899 0.85 . . . . 0.0 112.561 170.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.77 -43.85 87.59 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.239 1.019 . . . . 0.0 111.81 175.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.29 -50.38 60.51 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 120.734 -1.229 . . . . 0.0 113.129 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.458 HD21 ' CD2' ' B' ' 63' ' ' HIS . 13.5 tp -62.02 -47.04 86.51 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.91 -45.17 81.61 Favored Glycine 0 CA--C 1.524 0.598 0 CA-C-O 118.636 -1.091 . . . . 0.0 113.515 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.433 ' HD2' ' SD ' ' B' ' 55' ' ' MET . 3.6 mpt_? -65.76 -44.37 86.09 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.448 1.624 . . . . 0.0 111.793 174.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.35 -47.73 62.67 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.261 1.391 . . . . 0.0 110.863 170.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.8 mt -61.1 2.47 0.13 Allowed 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 m -135.69 -27.97 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.528 1.531 . . . . 0.0 114.275 177.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -24.13 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 121.106 1.775 . . . . 0.0 111.319 165.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -128.58 68.28 77.88 Favored Pre-proline 0 CA--C 1.531 0.222 0 C-N-CA 124.149 0.98 . . . . 0.0 109.674 -169.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -61.59 -18.9 62.56 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.855 3.037 . . . . 0.0 114.777 -163.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -32.22 49.47 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.16 0.984 . . . . 0.0 113.287 166.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 81.2 p -59.28 -10.51 3.04 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.414 -1.429 . . . . 0.0 114.766 172.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -50.88 -34.74 29.46 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 117.433 -1.27 . . . . 0.0 113.871 172.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -38.38 64.01 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 122.101 2.228 . . . . 0.0 113.531 -173.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -72.91 -6.68 46.8 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.795 1.238 . . . . 0.0 113.423 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -16.54 13.57 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 172.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -50.58 -25.89 4.66 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 166.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -106.32 -28.87 10.12 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.867 1.267 . . . . 0.0 113.06 173.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -79.24 -17.09 55.43 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.64 -176.31 20.27 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.181 0.896 . . . . 0.0 112.874 -169.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 27.61 -96.75 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 128.092 2.557 . . . . 0.0 115.186 173.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 tt 53.98 -16.23 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 128.877 2.871 . . . . 0.0 117.743 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 6.0 t -59.09 -14.81 11.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.882 2.073 . . . . 0.0 115.248 -170.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 18.6 p -130.05 155.17 81.09 Favored Pre-proline 0 N--CA 1.472 0.661 0 C-N-CA 124.487 1.115 . . . . 0.0 111.658 169.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -41.81 -52.74 3.75 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 124.839 3.693 . . . . 0.0 116.039 165.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.18 -34.8 76.97 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 122.987 0.515 . . . . 0.0 112.051 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.69 -55.75 29.5 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 122.089 -0.382 . . . . 0.0 110.874 172.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.6 -30.92 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -173.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . 0.433 ' SD ' ' HD2' ' B' ' 30' ' ' ARG . 2.5 tpp -76.5 -35.33 58.42 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 175.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.85 -35.25 54.8 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 121.694 -0.629 . . . . 0.0 113.629 176.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -52.0 116.51 8.36 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 125.218 1.407 . . . . 0.0 114.127 -168.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -64.55 -27.97 61.59 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.605 2.203 . . . . 0.0 113.155 -174.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -71.23 -31.5 67.64 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 121.083 -1.011 . . . . 0.0 112.874 174.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 97.7 t -65.25 -41.44 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 CA-C-N 118.622 0.646 . . . . 0.0 110.381 167.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -61.42 -46.25 90.9 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.939 0.791 . . . . 0.0 112.612 171.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.37 -47.51 78.99 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.566 1.146 . . . . 0.0 113.221 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' HIS . . . . . 0.458 ' CD2' HD21 ' B' ' 28' ' ' LEU . 0.7 OUTLIER -60.09 -39.18 85.25 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.126 -0.984 . . . . 0.0 110.699 169.773 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -47.99 -52.43 16.86 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 125.971 1.748 . . . . 0.0 114.317 167.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -55.43 -45.31 76.78 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 118.068 0.934 . . . . 0.0 111.448 173.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -63.63 -53.16 55.91 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.293 1.037 . . . . 0.0 113.364 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.59 -48.19 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-N 120.058 1.299 . . . . 0.0 111.786 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.4 tt -69.31 -39.36 78.3 Favored 'General case' 0 C--O 1.223 -0.306 0 O-C-N 121.665 -0.647 . . . . 0.0 111.4 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.3 -34.74 59.49 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.332 0.968 . . . . 0.0 112.912 176.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.19 -44.17 89.26 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.034 0.917 . . . . 0.0 112.458 168.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -58.94 -40.79 85.73 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 120.588 -1.32 . . . . 0.0 110.88 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -67.18 -42.59 83.99 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.457 1.103 . . . . 0.0 112.975 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -58.99 -36.5 75.0 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.679 0.792 . . . . 0.0 111.324 170.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.35 -58.13 16.17 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 123.866 0.746 . . . . 0.0 111.512 168.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mt -55.09 -30.49 59.8 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 118.513 1.157 . . . . 0.0 113.88 177.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.39 -23.31 40.52 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 173.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -143.53 58.35 1.38 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.432 1.893 . . . . 0.0 112.332 -173.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 90.6 mt -68.47 -7.56 33.11 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.1 -1.0 . . . . 0.0 113.288 175.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -64.8 -27.6 68.99 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -176.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.04 90.37 0.83 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.298 1.039 . . . . 0.0 112.675 170.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 mt -59.87 -40.32 88.25 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.106 -0.996 . . . . 0.0 112.76 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -57.72 -29.09 64.44 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.363 1.065 . . . . 0.0 112.665 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -92.0 -48.18 3.18 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 125.097 1.332 . . . . 0.0 113.175 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.6 t -64.97 -23.06 67.11 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 118.839 1.32 . . . . 0.0 112.621 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -110.89 16.08 21.46 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 124.759 1.224 . . . . 0.0 113.847 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.29 -44.54 72.01 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 120.957 1.708 . . . . 0.0 113.122 -177.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 17.5 p -62.94 -40.93 99.14 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.785 1.234 . . . . 0.0 112.595 173.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 21.3 mt -68.56 -39.57 80.98 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.789 -0.569 . . . . 0.0 111.51 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 8.5 t -61.36 -46.38 90.47 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 124.234 1.014 . . . . 0.0 110.946 175.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -57.9 -49.71 75.8 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.71 0.804 . . . . 0.0 112.433 171.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.4 tp -51.5 -56.61 12.42 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.936 0.894 . . . . 0.0 111.296 173.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -74.44 20.62 0.11 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.7 1.6 . . . . 0.0 113.707 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 94.2 m -136.32 -74.01 0.44 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.559 1.544 . . . . 0.0 110.702 171.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.93 -29.2 70.13 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.153 1.781 . . . . 0.0 113.551 -175.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.25 -44.39 8.35 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.678 0.791 . . . . 0.0 111.559 170.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.88 76.1 1.05 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.087 1.355 . . . . 0.0 113.403 -173.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -53.86 33.16 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 129.72 3.208 . . . . 0.0 115.009 163.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' VAL . . . . . 0.492 HG13 HH21 ' C' ' 92' ' ' ARG . 14.0 t -55.7 143.65 8.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 127.489 2.316 . . . . 0.0 111.998 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.61 126.93 1.47 Allowed Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 124.959 1.303 . . . . 0.0 113.398 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.54 -25.59 34.79 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.521 2.148 . . . . 0.0 113.91 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -59.6 -39.6 84.71 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 120.929 1.695 . . . . 0.0 111.159 177.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -57.64 -25.81 60.69 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -72.66 -45.27 59.78 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.253 0.933 . . . . 0.0 109.917 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -44.46 83.34 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.828 1.251 . . . . 0.0 110.571 172.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.25 -46.92 86.68 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.127 0.971 . . . . 0.0 111.392 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.4 tt -53.86 -45.39 70.97 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.459 1.027 . . . . 0.0 110.678 174.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -52.93 -55.15 25.1 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 123.29 0.471 . . . . 0.0 113.138 172.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -58.96 -36.26 74.52 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 89.5 t -67.25 -52.55 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 O-C-N 121.365 -0.834 . . . . 0.0 110.181 176.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 34.0 tp -55.08 -52.84 61.96 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 118.764 0.711 . . . . 0.0 111.574 -174.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 35.2 m -56.42 -34.61 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 7.8 t -69.31 -35.48 76.02 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.801 -0.562 . . . . 0.0 111.393 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . 0.535 HG12 ' CE2' ' A' ' 117' ' ' PHE . 0.7 OUTLIER -69.58 -36.75 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 O-C-N 121.213 -0.929 . . . . 0.0 111.793 176.002 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . 0.436 HD21 HG21 ' B' ' 18' ' ' VAL . 3.7 mp -67.36 -38.37 84.69 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.909 0.777 . . . . 0.0 112.324 172.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.55 -24.51 32.7 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 169.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -53.17 6.91 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 169.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.89 -26.49 65.14 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.976 0.807 . . . . 0.0 113.054 -174.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -133.83 23.65 3.94 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.103 1.361 . . . . 0.0 112.391 -170.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -46.24 -37.68 8.23 Favored Glycine 0 N--CA 1.476 1.331 0 C-N-CA 125.564 1.554 . . . . 0.0 116.646 -172.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -61.3 -30.59 70.58 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.288 1.435 . . . . 0.0 113.382 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -103.7 -11.51 17.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.63 1.972 . . . . 0.0 112.596 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -81.99 60.49 4.85 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.104 1.362 . . . . 0.0 112.772 -174.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 33.5 p -53.41 159.08 2.43 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 125.907 1.683 . . . . 0.0 113.353 -174.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -49.2 -50.03 13.91 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 121.896 1.731 . . . . 0.0 114.315 172.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -65.33 -23.1 59.34 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 CA-C-N 121.239 1.478 . . . . 0.0 115.168 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.14 -41.26 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 121.643 2.02 . . . . 0.0 111.796 175.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -58.1 -47.27 83.75 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.85 0.75 . . . . 0.0 110.644 173.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.1 -31.33 72.49 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 176.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.26 -50.64 59.68 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.481 0.712 . . . . 0.0 110.02 175.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.695 ' CE1' HG23 ' B' ' 11' ' ' VAL . 50.6 m-85 -55.96 -49.16 74.32 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 171.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -60.09 -34.15 73.08 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 118.659 -0.686 . . . . 0.0 112.599 -176.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -68.19 -38.71 82.29 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 171.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 18.8 t -64.45 -43.86 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 CA-C-N 120.097 1.317 . . . . 0.0 110.638 171.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 45.8 t -84.07 -30.39 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -167.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.14 -44.05 92.06 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.627 1.103 . . . . 0.0 110.938 163.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.82 -48.97 82.59 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 123.741 0.686 . . . . 0.0 113.234 171.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.96 -47.38 83.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.453 1.101 . . . . 0.0 111.938 175.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.4 89.11 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.083 0.856 . . . . 0.0 111.53 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -62.09 -39.06 91.17 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.849 -0.532 . . . . 0.0 112.085 175.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.44 -44.09 83.83 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.655 0.782 . . . . 0.0 112.109 173.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.52 -24.92 66.45 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.788 -1.195 . . . . 0.0 112.749 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.67 -2.51 57.62 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 169.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -57.81 -38.77 76.15 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 119.673 -1.892 . . . . 0.0 113.627 -175.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -69.21 6.06 1.08 Allowed 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 174.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 . . . . . 0 CA--C 1.558 1.288 0 CA-C-N 120.264 1.393 . . . . 0.0 112.847 171.573 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.514 2.772 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.519 HD13 ' CG2' ' C' ' 73' ' ' VAL . 5.1 mp -130.26 -169.42 2.13 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 121.659 2.027 . . . . 0.0 111.055 -174.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t 150.3 -35.77 0.0 OUTLIER Pre-proline 0 N--CA 1.496 1.852 0 C-N-CA 130.014 3.326 . . . . 0.0 115.325 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -57.62 -176.32 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 124.554 3.502 . . . . 0.0 116.009 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.39 -27.47 1.08 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -54.61 -44.09 72.79 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.675 1.19 . . . . 0.0 113.336 171.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -58.48 -50.83 72.32 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.824 0.849 . . . . 0.0 110.51 171.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 51.1 m -57.23 -42.34 81.25 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.939 0.896 . . . . 0.0 111.737 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.16 -41.43 77.26 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.13 0.972 . . . . 0.0 112.419 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 87.2 t -67.88 -38.38 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 119.447 1.021 . . . . 0.0 111.939 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -56.95 -47.71 80.05 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.631 1.173 . . . . 0.0 111.758 169.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.76 -51.32 70.49 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.321 0.648 . . . . 0.0 111.541 175.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.59 -54.56 45.73 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.085 0.554 . . . . 0.0 112.088 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -63.83 -29.25 70.46 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.353 -0.842 . . . . 0.0 113.016 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.1 -39.38 96.24 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.461 1.029 . . . . 0.0 113.303 170.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -69.09 -38.15 78.82 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 118.526 1.163 . . . . 0.0 111.567 171.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.48 -52.88 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.731 1.212 . . . . 0.0 111.555 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.62 -128.7 3.98 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.382 0.992 . . . . 0.0 114.445 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.36 -21.88 51.55 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -72.9 -8.11 54.09 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 175.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.468 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -49.73 -50.13 45.37 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.097 0.862 . . . . 0.0 113.092 -178.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.41 -36.68 93.48 Favored Glycine 0 N--CA 1.471 0.997 0 CA-C-N 118.221 0.464 . . . . 0.0 113.55 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.15 -49.93 73.9 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.59 1.156 . . . . 0.0 111.386 171.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -63.54 -37.3 86.79 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.407 1.003 . . . . 0.0 112.362 175.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.4 -60.14 9.31 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 124.376 0.989 . . . . 0.0 111.639 170.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.83 -49.11 71.85 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.638 1.175 . . . . 0.0 112.242 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -59.78 -33.47 71.74 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.728 1.211 . . . . 0.0 113.17 174.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.65 -36.29 70.65 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 119.067 0.849 . . . . 0.0 111.874 174.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 mt -62.31 -49.3 76.17 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.721 0.691 . . . . 0.0 110.346 170.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -56.01 -54.2 47.7 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.117 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 69.3 mtt85 -51.58 -51.38 55.96 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 117.892 -1.051 . . . . 0.0 111.272 174.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 56.9 ttp -53.8 -44.65 70.32 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.99 0.814 . . . . 0.0 113.065 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -67.27 -25.47 66.08 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 pp -111.98 -17.91 12.76 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -175.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 81.7 p -82.49 -28.48 31.14 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.15 1.38 . . . . 0.0 112.86 164.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -141.6 70.78 25.75 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 124.868 1.267 . . . . 0.0 110.832 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -46.94 -27.92 6.46 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 124.968 3.778 . . . . 0.0 116.491 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.52 -16.15 1.39 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.787 2.035 . . . . 0.0 114.527 171.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 50.0 p -80.07 -23.28 41.44 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 120.591 -1.318 . . . . 0.0 113.699 173.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -58.91 -32.23 69.36 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 120.087 1.312 . . . . 0.0 113.675 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 15.2 t -62.87 -26.22 68.67 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -74.65 3.88 7.12 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.222 1.009 . . . . 0.0 112.604 174.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -126.48 62.75 49.61 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 127.106 2.162 . . . . 0.0 110.613 176.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -73.6 2.41 5.84 Favored 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 124.377 3.385 . . . . 0.0 115.591 -172.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -139.91 25.67 2.31 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.936 1.295 . . . . 0.0 113.017 -169.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.91 167.27 13.78 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.671 1.189 . . . . 0.0 113.56 -164.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -117.63 110.74 18.27 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.073 1.349 . . . . 0.0 109.65 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -79.99 3.81 18.92 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.895 1.278 . . . . 0.0 112.97 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 28.4 m -49.64 138.33 14.28 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.883 1.673 . . . . 0.0 112.411 175.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.41 127.53 32.52 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.886 -0.509 . . . . 0.0 111.549 -177.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.11 15.38 81.66 Favored Glycine 0 CA--C 1.538 1.493 0 CA-C-O 118.782 -1.01 . . . . 0.0 115.426 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 23.3 t -48.15 121.76 4.59 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.484 1.513 . . . . 0.0 113.539 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.35 -36.68 54.17 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.724 1.209 . . . . 0.0 112.979 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -66.92 -38.08 85.53 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.217 0.607 . . . . 0.0 111.957 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.91 -40.21 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.258 0.623 . . . . 0.0 111.209 176.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -59.82 -51.41 69.87 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.981 0.809 . . . . 0.0 110.595 172.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.93 -47.36 91.39 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 125.004 1.287 . . . . 0.0 113.348 -177.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -64.05 -40.87 97.23 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 118.043 0.921 . . . . 0.0 111.583 172.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.41 -48.56 54.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 121.198 -0.939 . . . . 0.0 113.7 171.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -57.58 -39.63 77.18 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.97 0.908 . . . . 0.0 112.152 172.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -47.95 69.14 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 176.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 66.7 t -56.53 -44.68 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 CA-C-N 120.395 1.452 . . . . 0.0 111.179 173.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 63' ' ' ALA . . . . . 0.468 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -59.83 -51.43 69.75 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 174.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -59.97 -34.65 73.58 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.255 0.622 . . . . 0.0 111.532 178.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.03 82.36 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.795 -1.19 . . . . 0.0 114.058 169.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.24 -39.97 93.42 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.75 1.159 . . . . 0.0 111.286 169.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 55.7 m -60.64 -43.59 97.39 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.583 1.083 . . . . 0.0 112.376 170.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -60.76 -42.96 98.48 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.911 1.685 . . . . 0.0 112.031 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.28 -51.89 67.62 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 121.241 -0.912 . . . . 0.0 111.17 168.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 13.9 t -54.51 -31.76 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.786 1.234 . . . . 0.0 113.395 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.76 -24.86 56.1 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -138.9 19.0 2.65 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.702 1.201 . . . . 0.0 113.858 -168.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.519 ' CG2' HD13 ' C' ' 2' ' ' LEU . 7.1 p -58.66 -25.75 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 120.192 -1.567 . . . . 0.0 114.531 -170.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -80.44 -9.15 59.76 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 121.087 -1.008 . . . . 0.0 113.225 175.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -135.16 20.94 3.44 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 128.195 2.598 . . . . 0.0 111.433 -175.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 6.7 ttm -58.89 -32.7 13.6 Favored Pre-proline 0 CA--C 1.55 0.948 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 -162.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -53.6 23.62 0.02 OUTLIER 'Trans proline' 0 CA--C 1.554 1.515 1 C-N-CA 127.235 5.29 . . . . 0.0 119.014 168.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -143.75 -40.71 0.29 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 127.208 2.203 . . . . 0.0 110.821 173.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.89 80.35 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 19.1 mt -92.48 6.19 48.03 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 72.6 m -58.13 -33.27 68.99 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 120.262 1.392 . . . . 0.0 114.68 -174.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.34 -33.32 73.42 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.001 -1.062 . . . . 0.0 112.701 171.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.7 mt -80.81 -39.93 25.85 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.381 1.072 . . . . 0.0 111.386 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 93.3 p -66.81 -33.07 74.81 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 118.491 -0.766 . . . . 0.0 111.941 170.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -53.73 52.83 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.661 1.119 . . . . 0.0 111.239 168.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 31.4 tp -52.16 -65.02 0.63 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.144 0.578 . . . . 0.0 110.461 171.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.17 7.51 0.13 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.268 1.827 . . . . 0.0 115.329 -173.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -130.25 -34.79 1.61 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.247 1.419 . . . . 0.0 112.931 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -79.87 -34.67 39.02 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.696 0.798 . . . . 0.0 112.638 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -154.45 119.66 5.04 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.872 1.269 . . . . 0.0 111.168 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 69.87 93.95 0.08 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.152 1.781 . . . . 0.0 110.113 -173.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . 0.492 HH21 HG13 ' B' ' 98' ' ' VAL . 0.0 OUTLIER -62.76 -10.76 14.02 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 117.441 2.386 . . . . 0.0 117.441 -172.375 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 38.1 t 30.56 89.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 128.412 2.685 . . . . 0.0 114.266 -173.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.13 135.31 68.17 Favored Pre-proline 0 CA--C 1.546 0.793 0 CA-C-O 117.912 -1.042 . . . . 0.0 112.087 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -45.34 -30.51 5.53 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.554 2.836 . . . . 0.0 115.833 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 5.2 p -57.07 -40.4 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 120.809 -1.182 . . . . 0.0 112.659 174.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -68.86 -35.36 76.83 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 120.907 -1.121 . . . . 0.0 112.211 -175.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.84 -46.91 64.54 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 118.004 0.365 . . . . 0.0 110.32 168.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -63.78 -39.33 93.99 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.082 0.553 . . . . 0.0 110.504 -174.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 68.5 mt -58.85 -56.22 25.08 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.558 0.743 . . . . 0.0 111.324 172.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -37.15 86.39 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.416 -0.803 . . . . 0.0 111.585 -178.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 48.0 t -59.21 -48.4 81.75 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.748 1.219 . . . . 0.0 112.142 173.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -56.83 -44.08 81.71 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 121.051 -1.03 . . . . 0.0 111.615 172.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 72.3 m -63.7 -37.67 88.23 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 175.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 34.8 mt -61.16 -46.73 89.32 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.478 1.035 . . . . 0.0 111.695 172.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 74.4 mt -53.32 -47.56 69.17 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.588 1.085 . . . . 0.0 110.811 174.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 4.5 t -56.02 -48.32 78.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 118.814 -0.612 . . . . 0.0 112.435 174.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 1.4 p -67.96 -40.22 83.22 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.754 1.616 . . . . 0.0 113.351 177.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.04 -44.04 87.15 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 119.715 1.143 . . . . 0.0 110.132 175.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.66 -31.13 64.1 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 175.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.47 -8.03 23.55 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -135.27 -43.65 0.7 Allowed 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.583 1.083 . . . . 0.0 113.84 -177.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.69 166.54 41.7 Favored Pre-proline 0 CA--C 1.564 1.509 0 CA-C-O 118.654 -0.688 . . . . 0.0 109.453 172.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -58.77 -136.4 0.0 OUTLIER 'Trans proline' 0 CA--C 1.55 1.317 1 C-N-CA 125.719 4.279 . . . . 0.0 115.796 174.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.28 27.88 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.103 0 O-C-N 119.113 -2.242 . . . . 0.0 114.643 172.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.4 -19.51 2.21 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 129.323 3.049 . . . . 0.0 117.107 -151.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 117' ' ' PHE . . . . . 0.537 ' CE2' HG12 ' D' ' 113' ' ' VAL . 20.6 p90 -74.11 37.78 0.1 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.588 1.955 . . . . 0.0 109.621 161.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.12 167.65 30.05 Favored Pre-proline 0 N--CA 1.486 1.363 0 C-N-CA 126.074 1.75 . . . . 0.0 112.16 -170.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.99 -40.01 59.13 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.035 1.823 . . . . 0.0 114.94 174.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.65 -58.45 2.8 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.894 0.478 . . . . 0.0 110.055 174.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.74 -30.21 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 120.944 -1.098 . . . . 0.0 112.627 -168.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.54 -49.84 56.47 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 120.15 1.341 . . . . 0.0 111.935 170.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.12 -39.92 79.93 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.921 0.782 . . . . 0.0 110.237 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 20.1 m -58.95 -60.88 3.15 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 125.551 1.54 . . . . 0.0 111.932 174.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 52.1 mt -64.87 -39.49 93.63 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 117.926 -1.035 . . . . 0.0 112.094 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -55.52 -56.42 20.42 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 120.421 1.464 . . . . 0.0 111.89 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -33.15 71.31 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -69.1 -50.15 50.72 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.572 1.078 . . . . 0.0 111.354 176.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.43 -39.51 87.69 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.082 0.855 . . . . 0.0 110.557 172.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.11 80.6 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.927 1.239 . . . . 0.0 113.201 172.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 12.1 p -68.38 -40.83 81.27 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.875 1.216 . . . . 0.0 112.555 171.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 78.8 t -55.13 -50.45 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 171.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 47.3 t -50.65 -62.07 1.82 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.433 1.093 . . . . 0.0 112.325 171.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 51.6 m -47.37 -34.97 7.6 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.039 1.336 . . . . 0.0 113.465 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 90.6 t -83.74 -45.2 18.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 123.565 0.746 . . . . 0.0 111.825 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.96 -27.97 69.22 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 120.967 -1.083 . . . . 0.0 113.256 175.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 36.7 p -103.34 11.25 36.89 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 127.267 2.227 . . . . 0.0 112.507 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.478 0.96 0 C-N-CA 125.76 1.624 . . . . 0.0 113.074 -175.142 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.301 4.8 p . . . . . 0 N--CA 1.515 2.79 0 CA-C-O 116.828 -1.558 . . . . 0.0 113.741 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -1.25 88.77 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 128.505 2.722 . . . . 0.0 115.636 -170.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.38 161.87 18.85 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.873 178.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.0 148.81 94.67 Favored Pre-proline 0 N--CA 1.477 0.9 0 CA-C-O 118.397 -0.811 . . . . 0.0 109.065 163.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -52.61 -41.83 66.11 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.462 2.774 . . . . 0.0 115.619 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -70.02 -35.61 74.47 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.366 -0.834 . . . . 0.0 112.346 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.53 -44.43 74.61 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.592 -0.693 . . . . 0.0 111.551 172.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.99 -47.12 68.46 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.113 0.965 . . . . 0.0 111.149 170.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 25.2 t -57.82 -48.34 80.03 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.991 0.814 . . . . 0.0 111.13 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.08 -49.96 74.25 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 11' ' ' VAL . . . . . 0.689 HG23 ' CE1' ' D' ' 130' ' ' TYR . 2.3 p -65.39 -52.05 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.719 1.145 . . . . 0.0 111.761 175.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -71.85 -35.76 69.96 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.074 0.852 . . . . 0.0 111.83 -164.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.61 94.08 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.648 0.658 . . . . 0.0 112.199 172.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . 0.406 ' CD2' HD23 ' D' ' 114' ' ' LEU . 3.7 tt -72.87 -34.99 67.08 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.496 -0.753 . . . . 0.0 111.656 177.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -63.58 -29.2 70.49 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 120.563 -1.335 . . . . 0.0 112.965 165.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.44 -41.22 98.11 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.32 0.962 . . . . 0.0 113.332 175.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -83.85 -18.13 38.58 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.435 HG21 HD21 ' D' ' 114' ' ' LEU . 0.3 OUTLIER -56.81 138.02 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.706 0.765 . . . . 0.0 113.004 -172.845 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -83.65 72.25 10.33 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.69 1.196 . . . . 0.0 110.298 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 75.4 t -41.76 -48.97 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -164.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -49.67 75.02 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.952 1.301 . . . . 0.0 114.246 174.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -70.3 -55.18 9.83 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.101 0.561 . . . . 0.0 110.616 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.45 -37.39 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.607 1.163 . . . . 0.0 112.365 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.39 -42.71 27.07 Favored Glycine 0 C--N 1.339 0.729 0 C-N-CA 123.898 0.761 . . . . 0.0 111.386 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.6 -43.66 97.48 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 117.812 0.806 . . . . 0.0 112.629 170.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -43.74 87.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 118.044 0.922 . . . . 0.0 111.753 175.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.46 -50.41 59.28 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 120.636 -1.29 . . . . 0.0 112.967 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . 0.456 HD21 ' CD2' ' D' ' 63' ' ' HIS . 13.7 tp -62.19 -46.68 87.84 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 175.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.82 -45.29 80.25 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 124.562 1.077 . . . . 0.0 113.581 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 30' ' ' ARG . . . . . 0.439 ' HD2' ' SD ' ' D' ' 55' ' ' MET . 3.7 mpt_? -65.83 -44.04 86.75 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.376 1.588 . . . . 0.0 111.834 174.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.84 -47.48 64.38 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 120.144 1.338 . . . . 0.0 110.768 170.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.27 2.5 0.14 Allowed 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 m -135.91 -28.08 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.784 1.633 . . . . 0.0 114.113 177.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -24.01 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 CA-C-N 121.547 1.976 . . . . 0.0 111.287 165.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -128.32 68.23 76.74 Favored Pre-proline 0 CA--C 1.53 0.177 0 C-N-CA 124.11 0.964 . . . . 0.0 109.764 -169.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -61.55 -19.04 63.14 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 124.009 3.14 . . . . 0.0 114.766 -163.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -32.15 49.16 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.181 -0.95 . . . . 0.0 113.269 167.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 81.1 p -59.27 -10.54 3.06 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 172.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -50.94 -34.68 29.74 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 117.251 -1.357 . . . . 0.0 113.859 173.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -38.32 64.16 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 122.204 2.275 . . . . 0.0 113.465 -173.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -72.87 -6.81 47.54 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.736 1.214 . . . . 0.0 113.431 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -16.57 13.42 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 172.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -50.66 -25.63 4.49 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 166.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -106.45 -28.84 10.07 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.858 1.263 . . . . 0.0 112.997 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -79.28 -17.06 55.42 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.338 0.972 . . . . 0.0 113.613 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.65 -176.46 20.03 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.051 0.834 . . . . 0.0 112.98 -169.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 27.56 -96.7 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.975 2.51 . . . . 0.0 115.271 173.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 tt 54.06 -16.34 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 128.82 2.848 . . . . 0.0 117.692 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 6.1 t -59.09 -14.93 11.45 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.998 2.119 . . . . 0.0 115.254 -170.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 18.5 p -130.0 155.2 81.01 Favored Pre-proline 0 N--CA 1.475 0.793 0 C-N-CA 124.399 1.08 . . . . 0.0 111.664 169.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -41.78 -52.93 3.62 Favored 'Trans proline' 0 CA--C 1.535 0.535 0 C-N-CA 124.791 3.661 . . . . 0.0 116.081 165.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.92 -34.88 77.46 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.939 0.496 . . . . 0.0 112.097 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.51 -55.76 29.5 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.138 0.426 . . . . 0.0 111.007 172.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.55 -31.19 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -173.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 55' ' ' MET . . . . . 0.439 ' SD ' ' HD2' ' D' ' 30' ' ' ARG . 2.5 tpp -76.44 -35.11 58.68 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 175.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.02 -35.29 54.1 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-N 118.337 0.517 . . . . 0.0 113.527 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -51.84 116.49 8.18 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.149 1.38 . . . . 0.0 114.136 -168.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -64.47 -28.08 62.22 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.685 2.257 . . . . 0.0 113.217 -174.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -71.1 -31.46 67.82 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 121.181 -0.949 . . . . 0.0 113.03 174.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 97.9 t -65.32 -41.44 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 O-C-N 121.616 -0.677 . . . . 0.0 110.38 167.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 19.9 mtmm -61.32 -46.45 90.23 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 118.873 0.76 . . . . 0.0 112.561 171.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.26 -47.45 79.53 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.545 1.138 . . . . 0.0 113.274 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 63' ' ' HIS . . . . . 0.456 ' CD2' HD21 ' D' ' 28' ' ' LEU . 0.7 OUTLIER -60.21 -39.05 85.22 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.073 -1.017 . . . . 0.0 110.741 169.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -47.92 -52.56 16.24 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 126.011 1.767 . . . . 0.0 114.29 167.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -55.36 -45.37 76.5 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 118.022 0.911 . . . . 0.0 111.4 173.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 45.7 mttt -63.6 -53.16 55.95 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.28 1.032 . . . . 0.0 113.362 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 6.8 p -58.65 -48.26 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 120.066 1.303 . . . . 0.0 111.708 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tt -69.2 -39.5 78.61 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.71 -0.619 . . . . 0.0 111.242 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.02 -34.57 58.24 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.443 1.02 . . . . 0.0 112.909 176.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.01 88.92 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.11 0.955 . . . . 0.0 112.538 168.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 1.7 m-30 -59.05 -40.9 86.57 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.593 -1.317 . . . . 0.0 110.988 175.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m -67.6 -42.12 82.93 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.153 0.981 . . . . 0.0 112.858 175.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -58.81 -36.68 74.89 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.553 0.741 . . . . 0.0 111.513 170.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.28 -58.14 16.1 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 123.844 0.735 . . . . 0.0 111.567 168.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.7 mt -55.18 -30.42 59.85 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 118.601 1.201 . . . . 0.0 113.936 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.34 -23.27 40.69 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.104 1.361 . . . . 0.0 114.668 173.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -143.64 58.44 1.37 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.442 1.897 . . . . 0.0 112.373 -173.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 91.1 mt -68.35 -7.79 34.3 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.133 -0.979 . . . . 0.0 113.268 175.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -64.79 -27.54 68.96 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.606 1.562 . . . . 0.0 115.198 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.15 90.36 0.82 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.247 1.019 . . . . 0.0 112.707 170.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 15.9 mt -59.72 -40.5 88.23 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 121.03 -1.044 . . . . 0.0 112.711 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -57.76 -28.94 64.41 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.232 1.013 . . . . 0.0 112.632 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -92.05 -48.15 3.18 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 125.091 1.329 . . . . 0.0 113.241 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.6 t -64.93 -23.14 67.14 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 118.84 1.32 . . . . 0.0 112.663 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -110.73 15.99 21.63 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.745 1.218 . . . . 0.0 113.836 175.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.41 -44.62 72.51 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 121.072 1.76 . . . . 0.0 112.931 -177.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 17.3 p -63.03 -40.81 98.85 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.71 1.204 . . . . 0.0 112.608 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 21.0 mt -68.46 -39.49 81.42 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.721 -0.612 . . . . 0.0 111.597 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 8.5 t -61.46 -46.35 90.42 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 124.336 1.055 . . . . 0.0 110.869 175.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -58.02 -49.76 75.74 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.619 0.768 . . . . 0.0 112.36 171.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 tp -51.52 -56.43 13.43 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.291 -0.88 . . . . 0.0 111.321 173.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -74.59 20.69 0.12 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.532 1.533 . . . . 0.0 113.803 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 95.8 m -136.11 -74.23 0.44 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.722 1.609 . . . . 0.0 110.858 171.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.72 -29.11 70.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.953 1.701 . . . . 0.0 113.647 -176.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.33 -44.29 8.37 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.706 0.802 . . . . 0.0 111.534 170.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.98 76.1 1.05 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.02 1.328 . . . . 0.0 113.359 -173.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -53.86 33.19 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 129.666 3.186 . . . . 0.0 115.004 163.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 98' ' ' VAL . . . . . 0.499 HG13 HH21 ' A' ' 92' ' ' ARG . 14.1 t -55.57 143.6 8.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 127.558 2.343 . . . . 0.0 112.041 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.62 126.92 1.47 Allowed Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 124.998 1.319 . . . . 0.0 113.45 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.59 -25.7 34.37 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.444 2.096 . . . . 0.0 113.883 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -59.51 -39.63 84.47 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.917 1.689 . . . . 0.0 111.136 177.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -57.5 -25.89 60.48 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 176.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -72.57 -45.24 60.13 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.17 0.988 . . . . 0.0 109.86 174.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.17 -44.46 83.55 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.811 1.244 . . . . 0.0 110.572 172.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.24 -46.92 86.68 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.906 0.882 . . . . 0.0 111.485 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 3.4 tt -53.76 -45.57 70.67 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.389 0.995 . . . . 0.0 110.62 174.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -52.86 -55.3 24.19 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 123.377 0.513 . . . . 0.0 113.035 172.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -58.58 -36.45 73.99 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 177.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 88.2 t -67.32 -52.67 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 O-C-N 121.246 -0.909 . . . . 0.0 110.149 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 34.1 tp -54.99 -52.59 62.62 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 118.736 0.698 . . . . 0.0 111.536 -174.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 35.0 m -56.59 -34.68 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 176.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 7.6 t -69.21 -35.7 76.49 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.878 -0.513 . . . . 0.0 111.576 177.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 113' ' ' VAL . . . . . 0.537 HG12 ' CE2' ' C' ' 117' ' ' PHE . 0.7 OUTLIER -69.25 -36.79 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 121.161 -0.962 . . . . 0.0 111.929 175.827 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 114' ' ' LEU . . . . . 0.435 HD21 HG21 ' D' ' 18' ' ' VAL . 3.7 mp -67.37 -38.47 84.82 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.946 0.793 . . . . 0.0 112.367 171.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.53 -24.5 32.29 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 169.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -53.22 6.89 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 169.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -26.46 65.15 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.008 0.822 . . . . 0.0 113.137 -174.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -133.87 23.52 3.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.991 1.316 . . . . 0.0 112.413 -170.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -46.0 -37.69 7.74 Favored Glycine 0 N--CA 1.479 1.519 0 C-N-CA 125.536 1.541 . . . . 0.0 116.646 -172.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -61.31 -30.6 70.6 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 125.215 1.406 . . . . 0.0 113.482 175.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -103.63 -11.55 17.61 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.695 1.998 . . . . 0.0 112.607 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -81.98 60.44 4.82 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.117 1.367 . . . . 0.0 112.735 -174.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 33.9 p -53.56 159.04 2.61 Favored Pre-proline 0 N--CA 1.478 0.954 0 C-N-CA 125.954 1.702 . . . . 0.0 113.349 -174.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -48.97 -49.99 13.83 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 121.89 1.727 . . . . 0.0 114.45 172.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -65.45 -22.98 58.57 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 CA-C-N 121.393 1.533 . . . . 0.0 115.197 175.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -41.24 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 121.656 2.026 . . . . 0.0 111.864 175.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -58.37 -47.01 85.22 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 118.935 0.789 . . . . 0.0 110.637 174.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.05 72.11 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.44 -50.72 58.07 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.566 0.746 . . . . 0.0 109.999 175.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 130' ' ' TYR . . . . . 0.689 ' CE1' HG23 ' D' ' 11' ' ' VAL . 50.8 m-85 -55.69 -49.47 72.88 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 171.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -60.03 -34.09 72.9 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 118.689 -0.672 . . . . 0.0 112.642 -176.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -68.28 -38.32 81.58 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 171.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.7 -43.84 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 CA-C-N 120.009 1.277 . . . . 0.0 110.549 171.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 45.6 t -84.2 -30.16 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -167.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.98 92.57 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.702 1.137 . . . . 0.0 110.899 163.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.8 -49.05 81.78 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 123.815 0.722 . . . . 0.0 113.257 171.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.06 -47.36 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 124.4 1.08 . . . . 0.0 111.81 175.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.25 89.87 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.253 0.933 . . . . 0.0 111.7 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -62.02 -39.11 91.14 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.761 -0.587 . . . . 0.0 112.145 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.22 83.07 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.516 0.727 . . . . 0.0 112.017 174.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.4 -24.84 66.54 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.885 -1.134 . . . . 0.0 112.797 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.78 -2.45 57.7 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 169.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -57.84 -38.9 76.48 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 119.666 -1.896 . . . . 0.0 113.56 -175.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -69.14 6.12 1.04 Allowed 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 174.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -73.09 9.96 1.07 Allowed 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 120.173 1.351 . . . . 0.0 112.785 171.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.366 0 C-N-CA 127.182 2.193 . . . . 0.0 114.517 174.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.175 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.55 -163.35 1.4 Allowed 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 121.459 1.936 . . . . 0.0 113.844 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 p -97.31 168.49 10.1 Favored Pre-proline 0 N--CA 1.481 1.115 0 C-N-CA 126.161 1.784 . . . . 0.0 112.566 -173.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -66.89 -46.62 3.17 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.733 2.288 . . . . 0.0 112.771 174.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.31 -33.6 74.62 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.157 0.583 . . . . 0.0 112.564 -172.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.77 -41.07 96.16 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-O 118.44 -0.791 . . . . 0.0 112.181 179.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -57.85 -46.84 84.2 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.756 0.707 . . . . 0.0 110.013 175.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.9 m -54.42 -47.36 72.91 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.778 0.717 . . . . 0.0 111.516 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -71.55 -33.74 69.4 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.24 -50.17 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.654 1.181 . . . . 0.0 111.147 172.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.31 -44.58 96.97 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.604 1.162 . . . . 0.0 111.271 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.23 -51.01 71.07 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.452 0.701 . . . . 0.0 111.429 176.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.21 -55.62 32.66 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.159 0.584 . . . . 0.0 111.636 174.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -62.17 -26.55 68.4 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -175.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.44 -40.98 98.19 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.689 1.138 . . . . 0.0 113.631 171.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -70.76 -38.02 73.43 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 118.462 1.131 . . . . 0.0 111.295 171.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.5 t -57.95 -50.81 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.087 0.955 . . . . 0.0 110.767 177.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.11 -128.05 3.43 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.442 1.02 . . . . 0.0 114.39 175.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.49 -23.92 64.89 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -69.78 -10.8 59.76 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.5 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -47.78 -45.7 29.65 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.336 0.971 . . . . 0.0 112.805 178.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.55 -41.92 95.92 Favored Glycine 0 C--N 1.338 0.687 0 CA-C-O 119.449 -0.639 . . . . 0.0 113.684 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -65.4 -39.38 92.13 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.008 0.904 . . . . 0.0 111.094 176.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -64.87 -39.8 94.12 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.364 -0.835 . . . . 0.0 112.58 174.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.63 -50.99 61.48 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 119.29 0.95 . . . . 0.0 112.518 169.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.88 -51.82 59.73 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.315 1.046 . . . . 0.0 112.025 177.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' HB3' HH12 ' A' ' 31' ' ' ARG . 0.4 OUTLIER -66.03 -36.12 82.41 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.812 0.845 . . . . 0.0 112.96 176.657 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.99 -41.07 97.63 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.69 1.132 . . . . 0.0 112.106 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.76 -48.85 67.81 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.327 1.051 . . . . 0.0 111.595 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -62.46 -39.97 95.1 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.243 0.544 . . . . 0.0 110.742 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.417 HH12 ' HB3' ' A' ' 27' ' ' GLU . 34.2 ttm105 -64.07 -44.5 92.2 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.009 0.924 . . . . 0.0 112.053 173.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 46.2 ttp -55.44 -47.14 76.48 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.338 0.972 . . . . 0.0 111.638 171.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -53.0 -53.84 44.04 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.915 0.78 . . . . 0.0 112.291 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.1 mt -67.98 -39.57 83.27 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 120.497 0.189 . . . . 0.0 111.256 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -76.85 -30.75 56.43 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.763 1.225 . . . . 0.0 113.034 -174.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.11 78.19 65.5 Favored Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 126.184 1.794 . . . . 0.0 109.415 177.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -46.78 -31.33 10.55 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 123.992 3.128 . . . . 0.0 114.637 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.9 -38.78 7.85 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.203 1.801 . . . . 0.0 113.737 172.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 t -57.97 -32.44 67.86 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 119.378 0.99 . . . . 0.0 113.333 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -54.7 -30.63 56.37 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.811 1.244 . . . . 0.0 112.19 176.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.41 HG21 ' CB ' ' D' ' 97' ' ' HIS . 1.9 t -59.68 -20.47 56.46 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -60.65 -18.82 55.91 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.376 0.989 . . . . 0.0 111.939 174.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 34.09 55.44 1.68 Allowed Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 126.668 1.987 . . . . 0.0 111.86 -175.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -74.46 1.65 7.18 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 123.088 2.525 . . . . 0.0 114.323 -165.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.269 0.3 OUTLIER 105.07 -1.38 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.36 1 C-N-CA 132.271 4.229 . . . . 0.0 112.838 179.914 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.43 163.66 22.78 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -128.16 134.26 49.05 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.821 2.048 . . . . 0.0 108.431 168.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.6 mt -116.14 37.43 3.69 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.371 1.468 . . . . 0.0 110.343 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.2 p -66.02 16.57 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 129.142 2.977 . . . . 0.0 116.107 -176.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 68.47 128.51 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 128.973 2.909 . . . . 0.0 113.617 -174.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.85 25.75 69.45 Favored Glycine 0 CA--C 1.54 1.648 0 O-C-N 121.338 -0.851 . . . . 0.0 114.681 -175.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -52.49 131.16 33.46 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.674 1.59 . . . . 0.0 114.231 -171.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.94 -22.86 64.82 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.974 1.31 . . . . 0.0 113.577 172.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -85.75 -39.49 17.11 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.374 0.669 . . . . 0.0 111.448 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.94 -38.03 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.149 -0.969 . . . . 0.0 112.042 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -64.04 -38.85 92.59 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 119.598 1.09 . . . . 0.0 113.622 173.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.71 -47.26 41.62 Favored Glycine 0 N--CA 1.473 1.131 0 C-N-CA 123.973 0.797 . . . . 0.0 111.861 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -60.98 -41.68 96.9 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 122.049 -0.677 . . . . 0.0 112.318 173.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.72 -50.58 48.83 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 121.387 -0.821 . . . . 0.0 112.653 170.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -56.08 -42.85 77.35 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 118.247 1.024 . . . . 0.0 113.507 171.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.66 -53.04 60.49 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.308 -0.87 . . . . 0.0 112.57 174.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.8 t -54.37 -43.72 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 119.244 0.929 . . . . 0.0 110.782 175.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.5 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -59.41 -50.18 74.93 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.807 1.039 . . . . 0.0 113.807 174.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.49 -38.0 82.89 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.753 1.161 . . . . 0.0 112.379 176.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.49 -35.31 80.52 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.376 -0.827 . . . . 0.0 113.172 170.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.73 -42.81 90.58 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.46 -0.775 . . . . 0.0 111.452 170.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 49.1 m -58.0 -43.68 86.76 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.885 1.22 . . . . 0.0 111.981 171.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -55.64 -49.01 74.02 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.334 1.054 . . . . 0.0 110.664 171.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.402 ' HB1' HG22 ' A' ' 132' ' ' VAL . . . -60.47 -39.02 86.1 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 175.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.23 -45.37 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 119.928 1.24 . . . . 0.0 111.189 173.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.23 -24.5 67.36 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.142 1.377 . . . . 0.0 113.478 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -132.86 35.16 3.57 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.282 1.433 . . . . 0.0 111.359 -171.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.22 -13.39 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -165.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -120.42 8.36 10.77 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.171 1.388 . . . . 0.0 113.87 169.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -129.41 -2.02 4.96 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.97 2.108 . . . . 0.0 112.524 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.465 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 24.4 ptt? -68.94 -13.06 0.24 Allowed Pre-proline 0 CA--C 1.544 0.744 0 N-CA-C 118.165 2.654 . . . . 0.0 118.165 176.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.441 ' HA ' HG13 ' A' ' 135' ' ' VAL . 36.8 Cg_exo -42.94 -26.59 0.73 Allowed 'Trans proline' 0 C--N 1.362 1.278 0 C-N-CA 124.087 3.191 . . . . 0.0 117.42 176.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.3 p30 -119.66 -12.56 9.25 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 169.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.465 ' HB3' ' HA ' ' A' ' 76' ' ' MET . . . -72.16 -14.77 61.9 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.525 -1.359 . . . . 0.0 114.188 177.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 69.1 mt -107.85 7.57 28.22 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.815 1.246 . . . . 0.0 112.714 173.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.3 m -56.57 -39.43 73.46 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.024 1.283 . . . . 0.0 114.248 -175.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.13 -28.53 66.63 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.83 0.741 . . . . 0.0 112.92 174.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.21 -42.78 14.38 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.345 1.058 . . . . 0.0 110.435 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.6 t -53.97 -46.47 71.65 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.704 0.402 . . . . 0.0 111.332 169.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -53.96 -52.0 62.09 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.482 1.113 . . . . 0.0 112.094 170.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.1 tp -58.17 -25.28 61.33 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 177.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -95.65 -29.11 14.48 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.993 0.917 . . . . 0.0 112.877 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.91 -36.41 8.65 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.963 1.305 . . . . 0.0 113.621 -174.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -103.35 -10.04 18.97 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.878 1.671 . . . . 0.0 112.648 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -132.34 155.6 48.1 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 127.458 2.303 . . . . 0.0 108.989 171.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 mt 58.32 -20.35 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 128.194 2.598 . . . . 0.0 117.604 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.5 mmt-85 52.1 44.72 29.36 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 128.874 2.87 . . . . 0.0 111.825 -172.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 71.3 t -57.94 107.01 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.5 1.52 . . . . 0.0 109.784 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.66 139.26 37.88 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-O 119.04 -0.505 . . . . 0.0 110.889 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -44.9 -31.77 5.65 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 124.557 3.505 . . . . 0.0 116.896 -176.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.0 p -50.03 -41.7 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 120.357 1.435 . . . . 0.0 112.56 175.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -63.58 -31.4 72.55 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 121.128 -0.982 . . . . 0.0 112.191 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -49.64 77.1 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 119.339 0.972 . . . . 0.0 109.276 171.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -57.29 -43.66 83.36 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.89 0.852 . . . . 0.0 110.133 -177.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.25 -49.64 77.07 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.28 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -38.2 72.94 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.242 -0.911 . . . . 0.0 112.402 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 95.0 p -67.93 -42.31 81.23 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.926 1.239 . . . . 0.0 112.138 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -61.06 -40.79 95.01 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.522 -0.736 . . . . 0.0 110.438 169.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 92.6 m -67.44 -20.99 65.57 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 173.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 34.3 mt -76.21 -50.62 13.99 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.939 1.245 . . . . 0.0 111.273 167.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.1 mt -48.67 -44.52 37.83 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.781 0.719 . . . . 0.0 111.184 174.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.2 t -49.42 -53.09 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.527 1.531 . . . . 0.0 114.173 167.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.08 -36.75 77.95 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 120.194 1.361 . . . . 0.0 113.012 -179.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.1 mt -61.89 -46.89 87.4 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 118.779 0.718 . . . . 0.0 109.183 173.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.87 -31.26 68.4 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 176.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.75 -9.65 55.32 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -129.26 -31.99 2.04 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -174.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.86 149.99 39.95 Favored Pre-proline 0 CA--C 1.556 1.208 0 CA-C-N 119.066 0.848 . . . . 0.0 110.997 -176.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -45.33 -51.5 7.78 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 125.103 3.868 . . . . 0.0 117.325 -163.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -148.84 39.2 0.85 Allowed 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 125.176 1.39 . . . . 0.0 110.374 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -38.92 -38.26 0.42 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.239 2.216 . . . . 0.0 115.53 -168.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.21 8.62 0.06 Allowed 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 174.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.97 157.27 2.18 Favored Pre-proline 0 N--CA 1.485 1.309 0 CA-C-N 120.576 1.534 . . . . 0.0 112.244 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -49.3 -57.0 2.62 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.05 1.833 . . . . 0.0 114.367 166.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.48 -33.79 76.77 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -176.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.5 t -89.56 -46.61 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 O-C-N 121.197 -0.939 . . . . 0.0 110.811 -174.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -67.19 -41.92 85.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 117.723 -1.132 . . . . 0.0 112.874 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.03 -56.73 18.22 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 119.85 1.204 . . . . 0.0 110.007 173.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.8 m -55.05 -41.68 71.76 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.522 1.129 . . . . 0.0 113.676 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.6 mt -73.75 -41.61 62.24 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 119.087 0.858 . . . . 0.0 113.179 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -62.25 -49.89 73.9 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.866 1.212 . . . . 0.0 110.888 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -31.68 72.93 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 174.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -62.06 -55.65 26.94 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 117.876 -1.059 . . . . 0.0 111.606 169.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 32.4 mt -60.55 -31.5 70.6 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.828 1.195 . . . . 0.0 112.038 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.23 86.87 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 168.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.4 t -69.12 -43.31 74.67 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.045 -1.66 . . . . 0.0 112.337 169.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.402 HG22 ' HB1' ' A' ' 69' ' ' ALA . 59.2 t -51.4 -51.22 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 173.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.4 p -63.18 -51.98 64.23 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 116.697 -1.621 . . . . 0.0 112.733 178.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 21.7 m -48.46 -35.65 13.4 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 121.016 1.735 . . . . 0.0 112.194 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.441 HG13 ' HA ' ' A' ' 77' ' ' PRO . 66.8 t -77.37 -47.58 26.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 123.5 0.72 . . . . 0.0 112.179 173.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -8.28 5.47 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.494 1.518 . . . . 0.0 114.293 172.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 34.6 p -126.8 17.16 7.41 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.789 2.436 . . . . 0.0 111.263 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 126.837 2.055 . . . . 0.0 112.934 169.743 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.332 3.2 p . . . . . 0 N--CA 1.515 2.81 0 CA-C-O 116.794 -1.574 . . . . 0.0 113.126 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 20.03 77.22 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 127.877 2.471 . . . . 0.0 115.434 -174.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.66 157.53 26.97 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.154 0.582 . . . . 0.0 110.506 -179.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.53 150.59 89.83 Favored Pre-proline 0 N--CA 1.482 1.148 0 CA-C-O 118.146 -0.93 . . . . 0.0 109.108 169.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -53.76 -39.36 84.09 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.526 2.151 . . . . 0.0 114.625 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.05 -46.1 79.03 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.418 0.687 . . . . 0.0 111.831 174.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.46 -43.9 79.93 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.527 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -52.62 -53.69 43.44 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.077 1.351 . . . . 0.0 110.756 168.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t -54.3 -45.71 72.61 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.553 0.615 . . . . 0.0 111.18 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.39 -55.54 33.43 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 174.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.433 HG23 ' CZ ' ' B' ' 130' ' ' TYR . 3.3 p -60.35 -56.07 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.565 1.075 . . . . 0.0 111.269 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -66.92 -35.37 79.84 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.76 0.709 . . . . 0.0 112.745 -172.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.18 -37.85 86.61 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 120.008 1.276 . . . . 0.0 112.272 175.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -66.7 -35.59 80.49 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.434 -0.791 . . . . 0.0 110.944 171.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -31.64 72.87 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 168.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.97 -42.64 99.63 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.57 1.081 . . . . 0.0 113.58 177.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -82.73 -20.0 36.84 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.26 139.81 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.25 1.02 . . . . 0.0 113.261 -170.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.72 92.79 9.34 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 171.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 74.4 t -56.22 -31.94 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.68 0.792 . . . . 0.0 113.066 -172.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -72.23 -48.81 40.01 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.023 1.329 . . . . 0.0 113.57 174.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -82.52 -45.35 14.79 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.253 -0.904 . . . . 0.0 111.71 -175.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -30.34 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 119.062 0.846 . . . . 0.0 111.298 172.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.46 -44.44 27.23 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 119.092 0.86 . . . . 0.0 111.732 177.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.98 -45.65 94.87 Favored Glycine 0 C--N 1.337 0.618 0 CA-C-N 117.834 0.817 . . . . 0.0 112.112 170.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -66.43 -33.35 75.51 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.531 -0.982 . . . . 0.0 112.977 173.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.73 -57.27 7.44 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 121.206 1.821 . . . . 0.0 111.471 174.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 tp -68.06 -33.5 74.67 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 118.998 -0.525 . . . . 0.0 111.186 -176.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.557 ' O ' HG13 ' B' ' 33' ' ' VAL . . . -59.01 -55.34 31.43 Favored Glycine 0 CA--C 1.525 0.676 0 CA-C-O 118.428 -1.207 . . . . 0.0 112.011 164.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -37.71 8.51 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 119.455 1.628 . . . . 0.0 110.909 177.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.468 ' HA ' HG21 ' B' ' 109' ' ' VAL . 36.9 tp -47.88 -50.76 25.53 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.583 1.083 . . . . 0.0 111.424 175.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.572 HD21 ' CE2' ' B' ' 45' ' ' PHE . 0.3 OUTLIER -96.51 -22.44 17.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 118.015 -0.993 . . . . 0.0 112.95 -173.702 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.557 HG13 ' O ' ' B' ' 29' ' ' GLY . 3.7 m -56.09 -29.48 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 CA-C-N 119.75 1.159 . . . . 0.0 112.096 -177.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.04 -2.97 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.823 1.649 . . . . 0.0 114.228 177.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 52.01 39.02 0.57 Allowed Pre-proline 0 CA--C 1.56 1.349 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -167.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -79.45 174.19 12.2 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.7 2.267 . . . . 0.0 112.149 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 12.1 p90 -55.36 -35.28 65.08 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.838 1.255 . . . . 0.0 113.773 170.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.43 -22.1 11.62 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.799 1.24 . . . . 0.0 114.148 170.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -56.77 -26.67 58.14 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.818 1.19 . . . . 0.0 113.055 172.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -54.83 -27.73 44.37 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.775 1.625 . . . . 0.0 113.174 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -86.94 7.97 25.17 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -52.15 -25.96 10.26 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 -177.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.39 -23.43 49.19 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.151 1.78 . . . . 0.0 113.614 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.7 p -60.55 -43.13 97.58 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.71 0.804 . . . . 0.0 112.125 170.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.572 ' CE2' HD21 ' B' ' 32' ' ' LEU . 10.0 m-85 -74.64 -5.21 41.77 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.575 1.55 . . . . 0.0 113.967 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.18 22.24 49.28 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.552 1.549 . . . . 0.0 115.381 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -159.07 -125.52 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.532 1.133 . . . . 0.0 110.603 -163.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.7 tt 61.93 -6.41 0.13 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 128.308 2.643 . . . . 0.0 115.402 -174.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 3.1 m -46.26 -28.86 1.4 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.93 2.092 . . . . 0.0 116.102 -173.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 7.4 p -141.38 160.99 55.09 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.843 1.657 . . . . 0.0 111.736 168.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -58.79 -42.05 56.98 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.672 2.915 . . . . 0.0 114.931 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -65.38 -35.36 80.71 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.513 -0.742 . . . . 0.0 111.861 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.29 -49.5 73.77 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 118.699 -0.667 . . . . 0.0 112.105 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -59.41 -34.63 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-N 119.9 1.227 . . . . 0.0 113.481 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 32.3 ttm -82.28 -22.17 35.85 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.06 -19.59 23.46 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.7 1.143 . . . . 0.0 114.872 177.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -56.81 120.84 40.78 Favored Pre-proline 0 CA--C 1.545 0.752 0 C-N-CA 125.58 1.552 . . . . 0.0 113.248 -173.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -57.76 -31.09 91.29 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.64 2.227 . . . . 0.0 113.274 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -67.57 -38.0 83.44 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.578 1.081 . . . . 0.0 112.786 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.54 -37.73 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.377 170.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -64.26 -49.65 71.03 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 120.153 1.342 . . . . 0.0 112.081 173.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.94 -48.96 74.48 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.419 1.087 . . . . 0.0 112.733 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -36.13 82.55 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.873 -1.142 . . . . 0.0 111.006 172.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.23 -49.37 50.71 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 126.67 2.081 . . . . 0.0 113.523 168.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -58.12 -40.16 80.54 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.895 0.878 . . . . 0.0 112.062 172.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -66.24 -55.52 15.76 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.738 0.815 . . . . 0.0 112.473 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.81 -41.53 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 119.091 0.859 . . . . 0.0 112.226 176.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.6 tt -75.99 -40.06 54.57 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -53.09 -38.94 56.93 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.392 0.996 . . . . 0.0 112.32 173.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.22 74.63 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 117.487 0.643 . . . . 0.0 112.372 169.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.433 ' CE2' HD22 ' B' ' 110' ' ' LEU . 10.4 m-85 -55.3 -40.38 71.02 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 120.179 -1.576 . . . . 0.0 113.181 173.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 14.4 m -64.61 -44.52 90.3 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.202 1.001 . . . . 0.0 113.142 173.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -57.7 -32.2 67.13 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.538 0.735 . . . . 0.0 111.934 171.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.28 -62.24 6.24 Favored Glycine 0 C--N 1.34 0.79 0 C-N-CA 124.107 0.86 . . . . 0.0 111.405 168.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 9.3 mt -54.21 -30.38 49.71 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.47 1.135 . . . . 0.0 113.698 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.06 -15.66 58.72 Favored 'General case' 0 CA--C 1.555 1.147 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 173.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -150.3 42.63 0.84 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.033 1.333 . . . . 0.0 113.326 -170.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.76 -14.99 57.42 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 120.165 -1.584 . . . . 0.0 114.71 -177.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -48.4 -42.0 30.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.946 1.299 . . . . 0.0 113.07 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -154.23 115.12 4.02 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.18 1.392 . . . . 0.0 109.826 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 66.6 mt -87.78 -33.11 18.76 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.207 0.603 . . . . 0.0 112.16 174.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -65.17 -15.58 62.58 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 120.423 -1.423 . . . . 0.0 113.251 -175.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.83 -46.91 2.8 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.402 1.477 . . . . 0.0 113.76 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.6 p -72.25 -24.39 61.36 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 118.871 1.336 . . . . 0.0 113.801 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -105.69 6.78 32.23 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.877 0.871 . . . . 0.0 112.882 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.72 80.0 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 120.665 1.575 . . . . 0.0 114.304 -176.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 16.5 p -65.33 -36.73 84.92 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.234 -0.917 . . . . 0.0 111.96 172.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 21.3 mt -74.99 -34.98 62.05 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 118.071 -0.966 . . . . 0.0 112.697 177.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 55.1 p -70.45 -36.11 73.74 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 120.456 1.48 . . . . 0.0 111.366 175.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.1 -53.37 59.17 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.861 0.865 . . . . 0.0 112.145 165.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 48.8 tp -52.99 -51.81 60.41 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.445 -0.784 . . . . 0.0 111.152 175.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -78.58 19.45 0.49 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.283 1.433 . . . . 0.0 114.074 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 52.7 t -136.43 -88.51 0.3 Allowed 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 174.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.66 -21.57 1.08 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.256 2.222 . . . . 0.0 116.341 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.65 -35.92 5.63 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.602 1.161 . . . . 0.0 113.223 169.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 4.2 mt -139.97 52.73 1.68 Allowed 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 125.936 1.694 . . . . 0.0 112.558 -168.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . 0.414 ' HB2' HG21 ' C' ' 41' ' ' THR . 15.3 m80 -58.33 29.38 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.673 0 C-N-CA 127.349 2.26 . . . . 0.0 114.935 172.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 8.6 p -46.25 142.5 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 O-C-N 118.945 -2.347 . . . . 0.0 111.005 173.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 8.7 p-10 -59.03 129.96 86.32 Favored Pre-proline 0 CA--C 1.551 1.016 0 O-C-N 120.816 -1.177 . . . . 0.0 111.991 -172.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 99' ' ' ASP . 94.5 Cg_exo -51.19 -28.09 24.69 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 124.019 3.146 . . . . 0.0 116.75 -169.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.5 -30.08 39.53 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.058 -1.026 . . . . 0.0 113.102 171.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . 0.439 ' N ' HD22 ' B' ' 102' ' ' ASN . 0.8 OUTLIER -63.89 -39.96 95.41 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.037 -1.039 . . . . 0.0 111.275 175.776 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -62.35 -47.37 84.5 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.499 1.045 . . . . 0.0 111.193 173.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -57.02 -43.7 82.11 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.221 1.009 . . . . 0.0 112.164 174.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mp -59.51 -52.02 67.34 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.811 0.844 . . . . 0.0 111.612 172.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.82 -33.68 68.85 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.393 0.997 . . . . 0.0 111.817 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' GLY . . . . . 0.467 ' HA2' HG11 ' B' ' 134' ' ' VAL . . . -66.47 -47.91 66.74 Favored Glycine 0 CA--C 1.524 0.622 0 O-C-N 120.959 -1.088 . . . . 0.0 114.647 173.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.27 -33.83 76.35 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.867 1.318 . . . . 0.0 111.965 173.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.468 HG21 ' HA ' ' B' ' 31' ' ' LEU . 3.0 t -62.49 -47.47 92.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 125.56 1.544 . . . . 0.0 112.395 175.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.433 HD22 ' CE2' ' B' ' 71' ' ' PHE . 21.4 tp -52.66 -56.81 12.79 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 124.103 0.877 . . . . 0.0 110.324 176.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 19.2 m -55.99 -44.37 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 118.326 0.512 . . . . 0.0 111.897 -174.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 50.5 t -60.42 -44.46 95.73 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.03 -1.044 . . . . 0.0 113.452 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.86 -34.67 63.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 120.528 1.513 . . . . 0.0 111.539 175.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 mt -65.07 -39.81 93.77 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 120.103 1.32 . . . . 0.0 110.299 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.28 77.77 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 174.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -61.84 -61.16 2.69 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.473 0.579 . . . . 0.0 110.46 168.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -72.98 -20.53 61.01 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -166.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -129.85 39.58 3.68 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.081 1.752 . . . . 0.0 111.588 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.81 -20.41 8.04 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 125.185 1.374 . . . . 0.0 116.203 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.44 -25.35 64.97 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 168.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -135.13 11.29 3.57 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.862 1.265 . . . . 0.0 114.096 -173.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.07 29.85 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 128.278 2.631 . . . . 0.0 117.194 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 30.1 p -46.15 148.62 1.47 Allowed Pre-proline 0 N--CA 1.483 1.219 0 C-N-CA 125.265 1.426 . . . . 0.0 113.879 -165.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -45.35 -44.97 15.91 Favored 'Trans proline' 0 CA--C 1.544 0.992 0 C-N-CA 122.304 2.003 . . . . 0.0 114.533 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -64.11 -38.47 36.45 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.02 1.814 . . . . 0.0 114.605 172.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -44.37 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 121.369 1.895 . . . . 0.0 111.846 -177.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -66.52 -41.95 88.01 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.92 -0.488 . . . . 0.0 110.773 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.81 97.64 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.724 0.81 . . . . 0.0 113.148 172.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.51 -49.85 75.92 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.23 1.012 . . . . 0.0 110.561 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.433 ' CZ ' HG23 ' B' ' 11' ' ' VAL . 34.1 m-85 -51.07 -49.66 60.19 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.824 -0.547 . . . . 0.0 112.184 167.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -34.44 74.89 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 117.657 -1.163 . . . . 0.0 113.21 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -68.16 -41.92 80.85 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 121.826 2.103 . . . . 0.0 113.643 176.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 2.2 p -63.49 -44.97 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 CA-C-N 120.239 1.382 . . . . 0.0 110.75 171.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.467 HG11 ' HA2' ' B' ' 107' ' ' GLY . 69.8 t -69.1 -31.65 51.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -177.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.38 84.68 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 120.393 1.451 . . . . 0.0 111.055 172.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.67 -43.15 94.51 Favored Glycine 0 C--N 1.342 0.875 0 N-CA-C 112.187 -0.365 . . . . 0.0 112.187 169.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.82 -43.35 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.125 0.97 . . . . 0.0 113.286 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.75 -43.44 96.44 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.836 0.744 . . . . 0.0 110.418 176.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -66.3 -32.11 73.32 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.166 0.586 . . . . 0.0 112.405 173.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.84 -44.35 85.78 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 120.422 -1.424 . . . . 0.0 111.84 171.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 6.9 mt -65.77 -41.77 91.63 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.16 -0.963 . . . . 0.0 112.0 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.76 -13.63 62.52 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 172.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -54.14 -42.61 69.74 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.241 1.382 . . . . 0.0 112.271 -174.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -61.16 -15.05 29.59 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.8 1.64 . . . . 0.0 114.511 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 CA--C 1.548 0.877 0 C-N-CA 124.603 1.161 . . . . 0.0 111.723 177.285 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.24 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.52 -163.39 1.4 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 119.521 -1.987 . . . . 0.0 113.975 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.6 p -97.27 168.56 10.0 Favored Pre-proline 0 N--CA 1.48 1.061 0 C-N-CA 126.192 1.797 . . . . 0.0 112.585 -173.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -66.99 -46.71 2.94 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.805 2.337 . . . . 0.0 112.749 174.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.29 -33.44 74.35 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.168 0.587 . . . . 0.0 112.576 -172.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -41.0 95.92 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.192 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -57.74 -46.95 83.77 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.751 0.705 . . . . 0.0 110.03 175.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 88.3 m -54.37 -47.33 72.76 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.671 0.669 . . . . 0.0 111.624 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -71.47 -34.02 69.83 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.552 -0.717 . . . . 0.0 112.767 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.08 -50.11 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.61 1.164 . . . . 0.0 111.239 172.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.35 -44.58 96.93 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.57 1.148 . . . . 0.0 111.284 175.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.35 -50.82 71.75 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.403 0.681 . . . . 0.0 111.492 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.15 -55.75 30.88 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.121 0.569 . . . . 0.0 111.707 173.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -61.98 -26.6 68.31 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -175.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.49 -40.99 98.14 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.696 1.141 . . . . 0.0 113.587 171.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -70.83 -38.04 73.23 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 118.456 1.128 . . . . 0.0 111.287 171.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 74.2 t -57.76 -50.86 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.08 0.952 . . . . 0.0 110.885 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.02 -128.06 3.34 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.46 1.029 . . . . 0.0 114.37 175.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.42 -23.95 64.79 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -69.82 -10.82 59.85 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.035 0.934 . . . . 0.0 113.48 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.496 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -47.79 -45.64 29.64 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.378 0.99 . . . . 0.0 112.889 178.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.61 -41.89 95.8 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-O 119.435 -0.647 . . . . 0.0 113.64 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -65.46 -39.28 91.82 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 117.984 0.892 . . . . 0.0 111.199 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -64.77 -39.98 94.51 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.346 -0.846 . . . . 0.0 112.587 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.47 -50.99 61.51 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 119.345 0.975 . . . . 0.0 112.635 169.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.87 -51.85 59.58 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.354 1.061 . . . . 0.0 111.961 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . 0.423 ' HB3' HH12 ' C' ' 31' ' ' ARG . 0.4 OUTLIER -66.02 -36.21 82.64 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 123.88 0.872 . . . . 0.0 112.931 176.649 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.03 97.31 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.718 1.145 . . . . 0.0 112.221 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 11.2 mt -66.91 -48.88 67.31 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.357 1.063 . . . . 0.0 111.595 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -62.3 -40.04 94.99 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.413 0.625 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . 0.423 HH12 ' HB3' ' C' ' 27' ' ' GLU . 34.2 ttm105 -63.96 -44.63 92.2 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.102 0.961 . . . . 0.0 112.055 173.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 46.5 ttp -55.29 -47.2 75.9 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.257 0.935 . . . . 0.0 111.697 171.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -52.99 -53.83 44.22 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.914 0.779 . . . . 0.0 112.306 174.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 17.1 mt -68.04 -39.64 83.02 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.241 0.217 . . . . 0.0 111.237 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -76.87 -30.87 56.44 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.775 1.23 . . . . 0.0 112.975 -174.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -132.93 78.42 65.88 Favored Pre-proline 0 CA--C 1.544 0.728 0 C-N-CA 126.255 1.822 . . . . 0.0 109.337 177.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -46.93 -31.37 11.05 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 124.064 3.176 . . . . 0.0 114.615 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.86 -38.76 7.72 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.268 1.827 . . . . 0.0 113.664 172.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 3.1 t -57.88 -32.75 68.01 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 119.439 1.018 . . . . 0.0 113.185 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -54.56 -30.62 54.65 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.904 1.281 . . . . 0.0 112.264 176.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . 0.414 HG21 ' HB2' ' B' ' 97' ' ' HIS . 1.9 t -59.78 -20.37 56.3 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -60.72 -18.71 56.09 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.111 0.868 . . . . 0.0 112.021 174.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 33.99 55.47 1.65 Allowed Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 126.585 1.954 . . . . 0.0 111.843 -175.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -74.38 1.46 7.34 Favored 'Trans proline' 0 CA--C 1.545 1.041 0 C-N-CA 123.138 2.559 . . . . 0.0 114.4 -165.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.266 0.3 OUTLIER 105.13 -1.33 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.266 1 C-N-CA 132.283 4.233 . . . . 0.0 112.811 179.837 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.34 163.72 22.44 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -128.22 134.31 48.99 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.88 2.072 . . . . 0.0 108.478 168.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 69.2 mt -116.24 37.48 3.69 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.381 1.472 . . . . 0.0 110.307 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 46.3 p -66.12 16.58 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 129.262 3.025 . . . . 0.0 116.03 -176.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 68.47 128.53 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 128.977 2.911 . . . . 0.0 113.71 -174.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.83 25.78 69.46 Favored Glycine 0 CA--C 1.538 1.491 0 O-C-N 121.412 -0.805 . . . . 0.0 114.713 -175.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -52.61 131.43 34.37 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.639 1.576 . . . . 0.0 114.18 -171.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.16 -22.6 64.87 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.958 1.303 . . . . 0.0 113.564 172.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -86.1 -39.42 16.76 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.376 0.67 . . . . 0.0 111.461 176.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.96 -37.94 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 121.178 -0.951 . . . . 0.0 112.011 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -64.02 -38.8 92.4 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.519 1.054 . . . . 0.0 113.728 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.7 -47.26 41.71 Favored Glycine 0 N--CA 1.474 1.203 0 C-N-CA 123.984 0.802 . . . . 0.0 111.829 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -61.0 -41.61 96.86 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 122.048 -0.678 . . . . 0.0 112.3 173.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.79 -50.51 49.56 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 123.877 0.751 . . . . 0.0 112.79 170.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -56.21 -42.65 77.56 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.099 0.96 . . . . 0.0 113.575 171.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -53.04 60.44 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 118.952 0.797 . . . . 0.0 112.669 174.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 95.0 t -54.31 -43.74 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 119.179 0.9 . . . . 0.0 110.846 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 63' ' ' ALA . . . . . 0.496 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -59.25 -50.48 73.86 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 174.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.25 -38.1 82.44 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.716 1.144 . . . . 0.0 112.442 176.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.23 -35.32 80.43 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 170.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.01 -42.66 89.43 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.538 -0.726 . . . . 0.0 111.434 170.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 50.9 m -58.09 -43.73 87.23 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.826 1.194 . . . . 0.0 111.876 171.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -55.66 -48.98 74.12 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.47 1.108 . . . . 0.0 110.591 171.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 69' ' ' ALA . . . . . 0.401 ' HB1' HG22 ' C' ' 132' ' ' VAL . . . -60.52 -39.26 87.18 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 90.0 t -65.84 -45.43 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 119.932 1.242 . . . . 0.0 111.325 173.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.48 67.38 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.064 1.346 . . . . 0.0 113.503 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -133.05 35.25 3.53 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 125.141 1.376 . . . . 0.0 111.341 -171.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.31 -13.29 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 115.918 1.822 . . . . 0.0 115.918 -165.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -120.44 8.47 10.77 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.137 1.375 . . . . 0.0 113.897 169.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -129.54 -2.08 4.89 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.057 2.143 . . . . 0.0 112.519 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 76' ' ' MET . . . . . 0.464 ' HA ' ' HB3' ' C' ' 79' ' ' ALA . 24.3 ptt? -68.98 -12.95 0.23 Allowed Pre-proline 0 CA--C 1.544 0.745 0 N-CA-C 118.207 2.669 . . . . 0.0 118.207 176.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . 0.454 ' HA ' HG13 ' C' ' 135' ' ' VAL . 36.5 Cg_exo -42.95 -26.69 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 124.199 3.266 . . . . 0.0 117.473 176.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -119.67 -12.43 9.27 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 169.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 79' ' ' ALA . . . . . 0.464 ' HB3' ' HA ' ' C' ' 76' ' ' MET . . . -72.43 -14.6 61.73 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.434 -1.416 . . . . 0.0 114.079 177.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 69.0 mt -107.86 7.32 28.06 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.882 1.273 . . . . 0.0 112.756 173.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 34.6 m -56.54 -39.13 72.87 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.982 1.265 . . . . 0.0 114.395 -175.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.29 -28.6 66.92 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.817 0.735 . . . . 0.0 112.897 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 9.0 mt -85.08 -42.77 14.5 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.375 1.07 . . . . 0.0 110.448 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 21.7 t -53.94 -46.42 71.56 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.746 0.418 . . . . 0.0 111.309 169.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -54.12 -51.99 62.47 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.458 1.103 . . . . 0.0 111.922 170.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 61.9 tp -58.29 -24.65 60.21 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -96.25 -29.12 14.2 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.111 0.964 . . . . 0.0 112.846 -178.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -102.09 -36.42 8.57 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.07 1.348 . . . . 0.0 113.667 -174.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -103.4 -9.97 18.98 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.812 1.645 . . . . 0.0 112.716 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -132.46 155.49 48.45 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.434 2.294 . . . . 0.0 108.892 171.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 mt 58.41 -20.36 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 128.095 2.558 . . . . 0.0 117.668 173.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 4.4 mmt-85 52.16 44.52 29.59 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 128.747 2.819 . . . . 0.0 111.856 -173.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 70.8 t -57.78 106.96 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.511 1.524 . . . . 0.0 109.743 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.51 139.29 38.32 Favored Pre-proline 0 CA--C 1.546 0.804 0 CA-C-O 119.06 -0.495 . . . . 0.0 110.832 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.96 -31.77 5.75 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.602 3.535 . . . . 0.0 116.939 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.97 -41.86 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 120.23 1.377 . . . . 0.0 112.547 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -63.36 -31.7 72.92 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 121.134 -0.979 . . . . 0.0 112.187 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -58.73 -49.54 77.24 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 118.251 -0.88 . . . . 0.0 109.387 171.436 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -57.29 -43.72 83.42 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.937 0.875 . . . . 0.0 110.277 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 89.7 mt -59.21 -49.78 76.53 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.253 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -38.02 72.94 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.263 -0.898 . . . . 0.0 112.523 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 94.7 p -68.11 -42.21 80.59 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.964 1.257 . . . . 0.0 112.13 -175.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -61.18 -40.75 95.1 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.631 -0.668 . . . . 0.0 110.388 169.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 93.8 m -67.51 -20.85 65.49 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 173.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 35.0 mt -76.27 -50.56 14.07 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.073 1.306 . . . . 0.0 111.372 167.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 10.2 mt -48.64 -44.59 37.54 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.825 0.739 . . . . 0.0 111.143 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 4.3 t -49.53 -52.98 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.4 1.48 . . . . 0.0 114.19 167.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.01 -36.79 78.18 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.366 1.439 . . . . 0.0 112.947 -179.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.1 mt -62.04 -46.65 88.23 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.82 0.736 . . . . 0.0 109.237 173.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.99 -31.32 68.68 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 176.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.53 -9.76 55.26 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.321 1.601 . . . . 0.0 115.321 176.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -129.2 -32.11 2.04 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -174.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.72 149.92 40.0 Favored Pre-proline 0 CA--C 1.555 1.156 0 CA-C-N 119.064 0.847 . . . . 0.0 111.002 -176.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -45.35 -51.41 7.89 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 125.153 3.902 . . . . 0.0 117.214 -163.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.07 39.38 0.84 Allowed 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 125.144 1.377 . . . . 0.0 110.265 177.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -39.02 -38.24 0.43 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 127.244 2.218 . . . . 0.0 115.542 -168.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.09 8.53 0.06 Allowed 'General case' 0 CA--C 1.558 1.261 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 174.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.85 157.28 2.08 Favored Pre-proline 0 N--CA 1.486 1.359 0 CA-C-N 120.48 1.491 . . . . 0.0 112.125 -179.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -49.35 -56.96 2.65 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.172 1.915 . . . . 0.0 114.284 166.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.57 -33.75 76.64 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -176.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 62.3 t -89.72 -46.43 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.238 -0.914 . . . . 0.0 110.83 -174.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -67.3 -41.88 84.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 117.666 -1.159 . . . . 0.0 112.803 178.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.05 -56.78 17.59 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.873 1.215 . . . . 0.0 109.925 173.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 42.4 m -55.05 -41.6 71.64 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 124.453 1.101 . . . . 0.0 113.815 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 39.4 mt -73.8 -41.42 62.39 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 176.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -62.5 -49.77 74.05 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.878 1.217 . . . . 0.0 110.776 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -31.66 72.9 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 174.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -62.09 -55.7 26.31 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 117.964 -1.017 . . . . 0.0 111.645 169.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 32.7 mt -60.34 -31.61 70.47 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.884 1.22 . . . . 0.0 112.133 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.65 -37.48 87.73 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 168.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 31.0 t -68.89 -43.3 75.55 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.089 -1.632 . . . . 0.0 112.399 169.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 132' ' ' VAL . . . . . 0.401 HG22 ' HB1' ' C' ' 69' ' ' ALA . 60.3 t -51.48 -51.15 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 173.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 26.3 p -63.05 -52.02 64.44 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 116.822 -1.561 . . . . 0.0 112.77 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 22.2 m -48.41 -35.74 13.32 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 121.031 1.741 . . . . 0.0 112.189 177.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 135' ' ' VAL . . . . . 0.454 HG13 ' HA ' ' C' ' 77' ' ' PRO . 66.7 t -77.31 -47.67 26.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 123.632 0.773 . . . . 0.0 112.125 173.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -8.45 5.54 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.535 1.534 . . . . 0.0 114.287 172.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 34.9 p -126.74 17.03 7.46 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 127.881 2.473 . . . . 0.0 111.122 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 36.7 t . . . . . 0 N--CA 1.473 0.692 0 C-N-CA 126.881 2.072 . . . . 0.0 113.029 169.65 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.326 3.1 p . . . . . 0 N--CA 1.514 2.768 0 CA-C-O 116.667 -1.635 . . . . 0.0 113.112 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 19.85 77.39 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 127.889 2.475 . . . . 0.0 115.348 -174.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.77 157.38 27.71 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.161 0.584 . . . . 0.0 110.543 -179.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.53 150.6 89.8 Favored Pre-proline 0 N--CA 1.481 1.113 0 CA-C-O 118.092 -0.956 . . . . 0.0 109.181 169.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -53.69 -39.41 83.47 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.45 2.1 . . . . 0.0 114.664 175.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.97 -46.15 79.12 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.41 0.684 . . . . 0.0 111.77 174.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.42 -43.83 80.26 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 118.423 -0.798 . . . . 0.0 111.597 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -52.73 -53.51 46.82 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.058 1.343 . . . . 0.0 110.817 168.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 28.8 t -54.59 -45.55 73.62 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 118.6 0.636 . . . . 0.0 111.12 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.35 -55.58 32.94 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 174.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 11' ' ' VAL . . . . . 0.433 HG23 ' CZ ' ' D' ' 130' ' ' TYR . 3.4 p -60.38 -56.02 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 119.55 1.068 . . . . 0.0 111.135 -179.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -67.18 -35.19 79.12 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.458 -0.776 . . . . 0.0 112.654 -172.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.98 86.84 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 120.07 1.304 . . . . 0.0 112.277 175.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -66.53 -35.55 80.52 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.451 -0.781 . . . . 0.0 111.127 171.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -31.41 72.58 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 168.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.25 -42.67 99.25 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.55 1.071 . . . . 0.0 113.645 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -82.66 -19.86 37.37 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 176.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.21 139.73 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.386 1.074 . . . . 0.0 113.246 -170.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.73 92.68 9.3 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 107.589 -1.264 . . . . 0.0 107.589 171.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 75.6 t -56.3 -31.82 33.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 123.83 0.852 . . . . 0.0 112.93 -172.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -72.38 -48.57 40.54 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.95 1.3 . . . . 0.0 113.698 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -82.86 -45.2 14.54 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.305 -0.872 . . . . 0.0 111.638 -175.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.85 -30.34 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 119.2 0.909 . . . . 0.0 111.27 172.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.21 -44.58 28.33 Favored Glycine 0 C--N 1.342 0.866 0 CA-C-N 119.275 0.943 . . . . 0.0 111.715 177.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.12 -45.65 94.97 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 117.827 0.813 . . . . 0.0 112.097 170.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -66.52 -33.27 75.31 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 118.024 -0.989 . . . . 0.0 112.996 173.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.61 -57.29 7.52 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 121.332 1.878 . . . . 0.0 111.616 174.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 tp -68.12 -33.36 74.35 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 118.972 -0.537 . . . . 0.0 111.238 -176.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.564 ' O ' HG13 ' D' ' 33' ' ' VAL . . . -59.09 -55.19 32.22 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.001 164.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -37.57 8.98 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 119.464 1.632 . . . . 0.0 110.824 177.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . 0.46 ' HA ' HG21 ' D' ' 109' ' ' VAL . 36.6 tp -47.89 -50.64 25.99 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.686 1.13 . . . . 0.0 111.497 175.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . 0.562 HD21 ' CE2' ' D' ' 45' ' ' PHE . 0.3 OUTLIER -96.75 -22.5 16.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 118.053 -0.975 . . . . 0.0 112.944 -173.643 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 33' ' ' VAL . . . . . 0.564 HG13 ' O ' ' D' ' 29' ' ' GLY . 3.6 m -56.02 -29.42 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 119.718 1.145 . . . . 0.0 112.101 -178.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -2.86 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.658 1.583 . . . . 0.0 114.325 177.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 51.93 39.09 0.58 Allowed Pre-proline 0 CA--C 1.561 1.383 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -167.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -79.42 174.06 12.39 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.845 2.364 . . . . 0.0 112.265 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 12.2 p90 -55.33 -35.17 64.88 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.878 1.271 . . . . 0.0 113.85 170.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.39 -22.11 11.47 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.769 1.228 . . . . 0.0 114.215 169.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -56.98 -26.38 59.89 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.751 1.159 . . . . 0.0 113.101 173.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -54.92 -27.84 46.3 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 120.872 1.669 . . . . 0.0 113.174 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -86.89 8.08 24.53 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -52.32 -25.89 10.77 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.57 -23.25 49.58 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.014 1.725 . . . . 0.0 113.684 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 75.9 p -60.6 -43.04 97.86 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.666 0.787 . . . . 0.0 112.158 170.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . 0.562 ' CE2' HD21 ' D' ' 32' ' ' LEU . 10.2 m-85 -74.81 -5.06 41.38 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.424 1.49 . . . . 0.0 113.866 -178.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.18 22.17 49.08 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 125.609 1.576 . . . . 0.0 115.358 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -158.88 -125.4 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.591 1.156 . . . . 0.0 110.678 -163.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 7.7 tt 61.69 -6.36 0.13 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 128.169 2.588 . . . . 0.0 115.586 -174.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 3.1 m -46.31 -28.82 1.42 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.8 2.04 . . . . 0.0 116.118 -173.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 7.2 p -141.38 161.0 55.07 Favored Pre-proline 0 N--CA 1.477 0.881 0 C-N-CA 125.69 1.596 . . . . 0.0 111.65 168.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -58.77 -42.09 56.71 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.6 2.867 . . . . 0.0 114.923 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.19 -35.39 80.94 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.523 -0.736 . . . . 0.0 112.052 175.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.32 -49.47 73.81 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 118.784 -0.627 . . . . 0.0 112.066 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -59.57 -34.51 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 119.914 1.234 . . . . 0.0 113.454 -177.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 32.2 ttm -82.25 -22.14 35.94 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.26 -19.43 23.49 Favored Glycine 0 CA--C 1.54 1.609 0 C-N-CA 124.55 1.071 . . . . 0.0 114.754 177.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -56.9 120.79 40.8 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 125.579 1.552 . . . . 0.0 113.304 -173.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -57.49 -31.37 91.24 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.827 2.352 . . . . 0.0 113.226 177.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 25.8 tttp -67.57 -37.99 83.45 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.615 1.098 . . . . 0.0 112.794 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 79.5 t -68.49 -37.81 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 CA-C-O 118.356 -0.831 . . . . 0.0 111.348 170.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -64.31 -49.64 70.95 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 120.156 1.344 . . . . 0.0 112.078 173.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.96 -48.9 74.65 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.356 1.062 . . . . 0.0 112.803 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.97 -36.11 82.42 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.772 -1.205 . . . . 0.0 111.027 172.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.2 -49.48 50.1 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 126.896 2.189 . . . . 0.0 113.581 168.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -58.14 -40.19 80.66 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.83 0.852 . . . . 0.0 112.014 172.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -66.12 -55.57 15.8 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.742 0.817 . . . . 0.0 112.475 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.85 -41.6 76.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.17 0.896 . . . . 0.0 112.199 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 5.6 tt -75.75 -40.32 55.61 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.534 -0.728 . . . . 0.0 112.928 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.82 -38.96 54.93 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.415 1.007 . . . . 0.0 112.477 173.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.98 -50.13 74.94 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 117.502 0.651 . . . . 0.0 112.317 169.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . 0.429 ' CE2' HD22 ' D' ' 110' ' ' LEU . 10.4 m-85 -55.34 -40.39 71.15 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 120.224 -1.548 . . . . 0.0 113.159 173.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 14.3 m -64.71 -44.32 90.6 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.21 1.004 . . . . 0.0 113.133 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -58.06 -32.03 67.63 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.535 0.734 . . . . 0.0 111.803 171.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.04 -62.51 5.99 Favored Glycine 0 C--N 1.339 0.71 0 C-N-CA 124.235 0.921 . . . . 0.0 111.385 168.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 mt -54.21 -30.31 49.42 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.401 1.1 . . . . 0.0 113.805 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.96 -15.8 58.68 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 173.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -150.24 42.69 0.85 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.944 1.297 . . . . 0.0 113.273 -170.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 93.0 mt -63.72 -15.06 57.53 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.245 -1.534 . . . . 0.0 114.756 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -48.43 -42.08 31.17 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.942 1.297 . . . . 0.0 113.052 173.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -154.17 114.88 3.99 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.131 1.372 . . . . 0.0 109.823 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 66.4 mt -87.48 -33.17 19.11 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.273 0.629 . . . . 0.0 112.213 174.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -65.18 -15.62 62.63 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 120.348 -1.47 . . . . 0.0 113.174 -175.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.81 -46.97 2.79 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.522 1.534 . . . . 0.0 113.737 176.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.5 p -72.17 -24.79 61.49 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 118.868 1.334 . . . . 0.0 113.657 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -105.28 6.52 32.89 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.89 0.876 . . . . 0.0 112.989 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.68 -40.59 79.76 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 120.749 1.613 . . . . 0.0 114.235 -176.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 15.8 p -65.4 -36.66 84.64 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.957 -1.089 . . . . 0.0 111.917 172.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 21.5 mt -75.05 -34.98 61.89 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 118.082 -0.961 . . . . 0.0 112.671 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 55.6 p -70.45 -36.05 73.71 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 120.454 1.479 . . . . 0.0 111.409 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.04 -53.37 59.16 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.82 0.848 . . . . 0.0 112.237 165.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 49.0 tp -53.02 -51.83 60.42 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.333 -0.854 . . . . 0.0 111.118 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -78.65 19.46 0.49 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.278 1.431 . . . . 0.0 113.935 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 52.8 t -136.43 -88.62 0.3 Allowed 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -49.53 -21.69 1.04 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.24 2.216 . . . . 0.0 116.297 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.58 -35.81 5.67 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.545 1.138 . . . . 0.0 113.214 169.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mt -140.09 52.57 1.67 Allowed 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 125.9 1.68 . . . . 0.0 112.549 -168.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 97' ' ' HIS . . . . . 0.41 ' CB ' HG21 ' A' ' 41' ' ' THR . 15.2 m80 -58.26 29.43 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.71 0 C-N-CA 127.324 2.25 . . . . 0.0 114.895 172.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 8.6 p -46.36 142.46 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 O-C-N 118.899 -2.376 . . . . 0.0 110.908 174.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -58.91 130.02 85.94 Favored Pre-proline 0 CA--C 1.55 0.954 0 O-C-N 120.776 -1.203 . . . . 0.0 112.067 -172.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -51.3 -27.97 25.19 Favored 'Trans proline' 0 C--N 1.356 0.95 0 C-N-CA 124.121 3.214 . . . . 0.0 116.788 -169.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.74 -29.92 41.83 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.995 -1.066 . . . . 0.0 113.054 171.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 102' ' ' ASN . . . . . 0.437 HD22 ' N ' ' D' ' 102' ' ' ASN . 0.8 OUTLIER -63.94 -40.03 95.5 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.109 -0.994 . . . . 0.0 111.308 175.686 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -62.26 -47.51 84.04 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.505 1.048 . . . . 0.0 111.169 173.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -57.03 -43.55 82.02 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.065 0.946 . . . . 0.0 112.249 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mp -59.59 -51.86 68.02 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.668 0.787 . . . . 0.0 111.695 172.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.9 -33.67 69.0 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.358 0.981 . . . . 0.0 111.804 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 107' ' ' GLY . . . . . 0.474 ' HA2' HG11 ' D' ' 134' ' ' VAL . . . -66.31 -48.21 65.69 Favored Glycine 0 CA--C 1.526 0.735 0 O-C-N 121.067 -1.021 . . . . 0.0 114.609 173.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.05 -33.94 76.51 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 122.759 1.266 . . . . 0.0 111.967 173.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 109' ' ' VAL . . . . . 0.46 HG21 ' HA ' ' D' ' 31' ' ' LEU . 3.0 t -62.33 -47.49 92.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 125.542 1.537 . . . . 0.0 112.447 175.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . 0.429 HD22 ' CE2' ' D' ' 71' ' ' PHE . 21.3 tp -52.59 -56.89 12.19 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 124.063 0.945 . . . . 0.0 110.305 176.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 18.4 m -55.95 -44.52 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-N 118.412 0.551 . . . . 0.0 111.89 -174.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 50.4 t -60.42 -44.51 95.69 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 121.029 -1.044 . . . . 0.0 113.444 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.91 -34.49 63.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 120.515 1.507 . . . . 0.0 111.666 175.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mt -65.08 -39.75 93.66 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.208 1.367 . . . . 0.0 110.257 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.06 77.21 Favored 'General case' 0 CA--C 1.526 0.055 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 174.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -61.98 -61.16 2.68 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.531 0.605 . . . . 0.0 110.44 168.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -72.76 -20.78 61.12 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -166.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -129.86 39.58 3.68 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.063 1.745 . . . . 0.0 111.489 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.67 -20.47 7.83 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.181 1.372 . . . . 0.0 116.228 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -25.64 65.28 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 168.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -134.99 11.36 3.61 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.801 1.241 . . . . 0.0 114.064 -173.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.93 29.68 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 128.324 2.65 . . . . 0.0 117.241 177.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 30.1 p -46.18 148.58 1.49 Allowed Pre-proline 0 N--CA 1.484 1.238 0 C-N-CA 125.303 1.441 . . . . 0.0 113.849 -165.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -45.33 -44.97 15.83 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 122.286 1.99 . . . . 0.0 114.522 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.17 -38.28 36.95 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.944 1.763 . . . . 0.0 114.554 172.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.39 -44.52 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 CA-C-N 121.388 1.904 . . . . 0.0 111.695 -177.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -66.52 -41.92 88.06 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.861 -0.524 . . . . 0.0 110.936 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.97 97.68 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.732 0.813 . . . . 0.0 113.183 172.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.71 76.45 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.194 0.997 . . . . 0.0 110.552 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 130' ' ' TYR . . . . . 0.433 ' CZ ' HG23 ' D' ' 11' ' ' VAL . 33.5 m-85 -51.3 -49.58 61.02 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.405 0.548 . . . . 0.0 112.089 167.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.02 -34.43 74.83 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 117.587 -1.197 . . . . 0.0 113.205 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -68.24 -41.77 80.69 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 121.766 2.076 . . . . 0.0 113.59 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 2.2 p -63.62 -44.95 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 120.29 1.405 . . . . 0.0 110.721 171.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 134' ' ' VAL . . . . . 0.474 HG11 ' HA2' ' D' ' 107' ' ' GLY . 68.9 t -69.08 -31.69 51.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -177.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.97 -46.49 84.37 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 120.231 -1.543 . . . . 0.0 111.029 172.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.5 -43.11 94.18 Favored Glycine 0 N--CA 1.471 0.971 0 O-C-N 122.125 -0.359 . . . . 0.0 112.258 169.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.02 -43.27 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.248 1.019 . . . . 0.0 113.203 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.32 96.6 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.497 -0.752 . . . . 0.0 110.38 176.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -66.65 -32.04 73.1 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.143 0.577 . . . . 0.0 112.28 173.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.32 86.29 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.472 -1.393 . . . . 0.0 111.879 171.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 6.9 mt -65.77 -41.8 91.61 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.101 -1.0 . . . . 0.0 111.934 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.84 -13.62 62.53 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 173.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -54.07 -42.61 69.47 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 120.148 1.34 . . . . 0.0 112.286 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -61.21 -15.16 31.4 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.776 1.63 . . . . 0.0 114.429 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -75.71 -20.16 58.57 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.717 1.207 . . . . 0.0 111.779 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--O 1.255 1.371 0 C-N-CA 127.976 2.51 . . . . 0.0 114.584 -177.131 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.319 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.632 HD13 HG22 ' A' ' 73' ' ' VAL . 0.6 OUTLIER -152.18 171.05 18.53 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 122.46 2.391 . . . . 0.0 109.842 -177.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 168.97 -27.41 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.622 0 N-CA-C 116.899 2.185 . . . . 0.0 116.899 -178.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -58.8 -161.04 0.02 OUTLIER 'Trans proline' 0 CA--C 1.548 1.186 0 C-N-CA 124.541 3.494 . . . . 0.0 115.075 172.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -45.9 -29.92 1.56 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.907 1.283 . . . . 0.0 114.167 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -47.58 -63.43 1.06 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 168.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -50.86 -45.11 59.77 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.009 1.323 . . . . 0.0 111.133 175.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.6 m -61.01 -49.58 76.85 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.622 0.769 . . . . 0.0 112.187 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.08 -38.25 90.14 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.137 0.975 . . . . 0.0 112.012 178.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.08 -47.99 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.721 1.208 . . . . 0.0 111.361 172.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -61.25 -44.57 97.03 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 119.304 0.956 . . . . 0.0 111.88 173.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.13 -50.12 74.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.328 0.651 . . . . 0.0 111.054 178.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.09 -57.33 13.32 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.748 0.819 . . . . 0.0 111.262 173.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -63.49 -23.99 67.63 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -175.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.75 -40.39 98.44 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.919 1.247 . . . . 0.0 113.363 170.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -70.41 -35.67 73.57 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 118.3 1.05 . . . . 0.0 111.419 170.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.93 -29.06 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.798 1.239 . . . . 0.0 113.256 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.46 123.23 1.05 Allowed Glycine 0 CA--C 1.541 1.668 0 C-N-CA 125.239 1.4 . . . . 0.0 113.929 176.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 81.29 -42.02 0.16 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 129.323 3.049 . . . . 0.0 114.26 -173.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -77.05 -11.79 59.85 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 174.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.509 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -42.57 -52.9 4.62 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.599 1.96 . . . . 0.0 113.749 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.0 -33.2 86.59 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 119.686 -0.508 . . . . 0.0 114.084 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.87 -45.44 89.42 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.348 1.059 . . . . 0.0 109.923 173.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.461 ' HA ' HG21 ' A' ' 108' ' ' THR . 14.6 m-30 -65.98 -37.42 85.91 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.75 -49.88 73.7 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 123.236 0.446 . . . . 0.0 112.268 168.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.15 -49.17 76.76 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.286 1.043 . . . . 0.0 112.511 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.48 -38.16 90.06 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 121.669 -0.644 . . . . 0.0 112.509 174.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.34 98.98 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.631 1.105 . . . . 0.0 112.195 177.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.2 mt -62.79 -49.69 73.99 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.272 1.029 . . . . 0.0 111.535 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -57.06 -46.72 82.23 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.669 0.668 . . . . 0.0 111.981 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.3 ttm-85 -61.36 -46.09 91.65 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.906 0.882 . . . . 0.0 111.494 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 47.3 ttp -58.46 -50.92 71.98 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.144 173.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -52.42 -57.16 10.71 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.469 0.708 . . . . 0.0 111.898 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' B' ' 125' ' ' PRO . 0.6 OUTLIER -69.53 -36.17 76.16 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.258 0.481 . . . . 0.0 111.398 -174.55 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.9 t -74.87 -30.71 61.41 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -175.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.517 ' CE2' HD22 ' A' ' 100' ' ' LEU . 98.4 m-85 -136.77 71.16 57.76 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 126.055 1.742 . . . . 0.0 109.302 -175.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -61.09 -13.18 26.39 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 123.076 2.517 . . . . 0.0 113.729 -173.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.21 -36.54 1.79 Allowed 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 163.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -36.26 73.72 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-N 121.51 1.959 . . . . 0.0 113.873 173.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -17.73 30.49 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 120.82 1.645 . . . . 0.0 114.327 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.29 -20.83 59.99 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 176.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -69.57 14.87 0.09 Allowed 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.17 0.895 . . . . 0.0 113.204 177.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.6 t80 63.58 59.66 1.89 Allowed Pre-proline 0 CA--C 1.544 0.719 0 C-N-CA 127.0 2.12 . . . . 0.0 112.075 172.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -62.24 123.67 12.91 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.678 2.919 . . . . 0.0 110.641 -175.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -66.99 3.92 0.98 Allowed 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 175.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -141.01 150.23 42.77 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.74 2.016 . . . . 0.0 111.312 -167.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.04 95.1 2.97 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 166.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.494 ' H ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -59.67 1.81 0.09 Allowed 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 172.14 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 m -59.13 155.02 14.72 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.457 2.303 . . . . 0.0 113.739 -178.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -50.47 141.11 12.7 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 169.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.34 1.71 29.74 Favored Glycine 0 CA--C 1.54 1.622 0 N-CA-C 116.26 1.264 . . . . 0.0 116.26 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.7 t -60.45 136.23 57.98 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.995 1.397 . . . . 0.0 113.555 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.15 -20.71 66.18 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.172 0.989 . . . . 0.0 113.661 171.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -81.78 -41.37 21.25 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.615 0.766 . . . . 0.0 111.249 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 91.1 t -62.77 -40.56 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 123.893 0.877 . . . . 0.0 112.019 -177.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -59.49 -42.64 92.59 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.219 0.918 . . . . 0.0 113.171 174.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.33 -44.67 73.55 Favored Glycine 0 N--CA 1.472 1.09 0 C-N-CA 123.952 0.786 . . . . 0.0 112.476 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -61.25 -47.73 84.71 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 122.248 -0.56 . . . . 0.0 111.002 170.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.6 -49.6 56.89 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.476 1.036 . . . . 0.0 113.782 176.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -53.43 -46.24 69.72 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.607 1.163 . . . . 0.0 112.102 171.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -44.81 80.07 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.81 -43.71 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 119.96 1.255 . . . . 0.0 110.359 172.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.509 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -64.87 -46.11 83.19 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 118.76 -0.638 . . . . 0.0 112.569 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.47 -37.82 79.18 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.721 1.146 . . . . 0.0 112.161 173.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.03 -40.95 95.54 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 121.722 -0.611 . . . . 0.0 112.117 170.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -41.21 98.4 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 118.567 -0.73 . . . . 0.0 111.711 171.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.3 m -58.41 -42.91 88.24 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 120.202 1.364 . . . . 0.0 111.283 171.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.455 HD21 HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -66.66 -31.37 72.01 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.827 1.194 . . . . 0.0 111.957 175.011 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.42 -41.28 76.56 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-O 118.7 -0.667 . . . . 0.0 111.449 172.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.9 t -65.74 -48.79 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-N 120.096 1.316 . . . . 0.0 111.073 174.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.28 -30.84 65.04 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.388 1.475 . . . . 0.0 113.049 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -129.01 34.95 4.37 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 124.56 1.144 . . . . 0.0 111.315 -176.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.632 HG22 HD13 ' A' ' 2' ' ' LEU 0.257 8.6 p -57.52 -25.39 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 119.781 -1.824 . . . . 0.0 113.893 -172.006 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -94.68 -11.52 29.05 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 170.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -124.65 5.78 8.2 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.183 2.193 . . . . 0.0 112.93 -167.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -78.91 -3.72 0.07 OUTLIER Pre-proline 0 CA--C 1.548 0.892 0 N-CA-C 118.93 2.937 . . . . 0.0 118.93 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_exo -43.66 -34.07 5.22 Favored 'Trans proline' 0 C--N 1.364 1.366 0 CA-C-N 125.223 2.901 . . . . 0.0 117.058 -177.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.07 5.97 9.24 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.5 1.12 . . . . 0.0 114.003 173.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.45 -29.79 61.61 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.273 -1.517 . . . . 0.0 112.099 171.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.455 HD23 HD21 ' A' ' 68' ' ' ASN . 75.0 mt -80.89 1.57 30.25 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.498 0.719 . . . . 0.0 112.742 173.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.6 m -56.89 -31.12 64.54 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 120.469 1.486 . . . . 0.0 114.931 -177.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.51 -29.28 69.9 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 120.442 1.474 . . . . 0.0 112.759 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.404 HD12 HD22 ' A' ' 80' ' ' LEU . 5.9 mt -82.48 -38.0 24.52 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.379 1.472 . . . . 0.0 110.793 178.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.8 m -66.65 -29.21 69.18 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 124.31 1.044 . . . . 0.0 112.516 167.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.89 -47.93 67.46 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.429 1.468 . . . . 0.0 111.131 169.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 tp -50.9 -52.43 41.97 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.408 0.683 . . . . 0.0 111.483 167.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -70.18 -48.85 55.45 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 118.092 -0.956 . . . . 0.0 112.183 -175.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.46 -16.06 50.24 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 121.013 1.733 . . . . 0.0 114.646 -175.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -124.31 14.81 8.99 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.874 1.269 . . . . 0.0 113.183 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -140.68 -53.45 0.49 Allowed 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 116.114 1.894 . . . . 0.0 116.114 175.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mp -130.87 -21.92 2.67 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 116.739 2.126 . . . . 0.0 116.739 -176.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 50.64 32.08 6.48 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.734 2.013 . . . . 0.0 114.668 171.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 t -55.18 135.39 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.123 1.369 . . . . 0.0 111.913 -173.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -51.89 133.7 38.38 Favored Pre-proline 0 CA--C 1.554 1.118 0 C-N-CA 122.958 0.503 . . . . 0.0 112.354 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -47.16 -22.78 2.47 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 124.92 3.746 . . . . 0.0 116.477 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.7 p -45.73 -47.6 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 119.984 1.265 . . . . 0.0 112.005 168.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -65.98 -23.75 66.65 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 120.044 1.293 . . . . 0.0 112.438 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -60.27 -52.87 63.45 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.172 1.351 . . . . 0.0 108.981 170.546 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -56.13 -34.44 66.09 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.912 0.885 . . . . 0.0 111.262 -175.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.517 HD22 ' CE2' ' A' ' 36' ' ' PHE . 66.0 mt -68.75 -53.32 22.57 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.845 0.858 . . . . 0.0 111.836 175.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.51 -39.81 94.47 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.522 1.055 . . . . 0.0 112.065 -177.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.8 p -65.19 -42.62 93.43 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.161 0.891 . . . . 0.0 111.392 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -57.97 -50.28 73.93 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.662 0.785 . . . . 0.0 111.53 169.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 91.6 m -59.02 -37.56 77.23 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 118.325 -0.845 . . . . 0.0 113.162 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.45 -55.58 29.64 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 117.913 -1.041 . . . . 0.0 111.758 172.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.0 mt -45.82 -44.76 14.44 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.191 0.905 . . . . 0.0 111.161 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.66 -48.46 88.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 118.389 -0.815 . . . . 0.0 113.03 173.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -62.38 -44.15 97.14 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 120.824 1.647 . . . . 0.0 112.306 178.286 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.87 -46.49 89.21 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 122.963 0.505 . . . . 0.0 110.322 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.82 -27.8 60.57 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 173.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.64 -5.48 40.73 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 174.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -131.82 -23.58 2.26 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -173.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.7 mp -100.31 157.99 32.79 Favored Pre-proline 0 CA--C 1.555 1.167 0 C-N-CA 124.242 1.017 . . . . 0.0 110.358 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -53.34 -35.57 75.39 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 123.924 3.083 . . . . 0.0 114.808 -171.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.408 ' C ' ' H ' ' A' ' 117' ' ' PHE . . . -140.72 -56.82 0.52 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.108 1.363 . . . . 0.0 110.822 176.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 64.94 -13.79 0.11 Allowed 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.408 ' H ' ' C ' ' A' ' 115' ' ' ALA . 0.1 OUTLIER -126.5 18.02 7.53 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 126.865 2.066 . . . . 0.0 110.842 -173.575 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.2 p -54.36 163.4 1.3 Allowed Pre-proline 0 N--CA 1.486 1.366 0 C-N-CA 125.012 1.325 . . . . 0.0 110.295 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.49 ' HA ' HG21 ' B' ' 33' ' ' VAL . 36.9 Cg_exo -51.91 -41.4 63.57 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 CA-C-N 120.536 1.227 . . . . 0.0 113.913 176.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.74 -49.94 14.79 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 122.922 0.489 . . . . 0.0 111.122 174.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.4 t -70.84 -40.36 76.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 121.035 -1.04 . . . . 0.0 111.52 -168.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -45.36 93.36 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.439 1.018 . . . . 0.0 111.727 174.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.34 -55.5 30.83 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 122.895 0.478 . . . . 0.0 109.956 173.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 69.4 m -53.55 -51.1 64.0 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 126.474 1.91 . . . . 0.0 112.738 -176.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.7 mt -71.07 -44.39 65.84 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 117.969 -1.015 . . . . 0.0 112.557 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.0 -48.15 80.07 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.946 1.248 . . . . 0.0 111.669 -178.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -30.98 71.2 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 173.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -66.3 -52.97 41.91 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.795 1.18 . . . . 0.0 111.822 171.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.1 mt -59.09 -37.19 76.54 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.296 0.953 . . . . 0.0 110.23 175.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.47 -48.3 71.94 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.673 1.124 . . . . 0.0 112.112 167.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . 0.491 ' CB ' HD11 ' A' ' 2' ' ' LEU . 22.1 m -60.01 -45.94 91.12 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 170.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 35.3 t -54.31 -51.44 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 119.478 1.036 . . . . 0.0 108.828 176.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 44.0 m -60.19 -50.48 73.49 Favored 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 125.976 1.71 . . . . 0.0 112.995 176.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 58.5 m -52.38 -41.69 63.34 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.653 1.569 . . . . 0.0 111.906 176.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 89.7 t -74.39 -38.9 47.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 122.621 0.368 . . . . 0.0 111.754 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.12 -23.57 64.0 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.433 -1.417 . . . . 0.0 113.836 174.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 59.2 p -95.63 -0.35 51.89 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.252 1.821 . . . . 0.0 111.822 171.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 CA--C 1.535 0.378 0 CA-C-O 122.558 1.171 . . . . 0.0 110.968 164.865 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.289 0.4 OUTLIER . . . . . 0 N--CA 1.517 2.901 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 t60 25.82 77.73 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 128.192 2.597 . . . . 0.0 115.439 -173.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.92 145.66 12.31 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.388 0.675 . . . . 0.0 112.087 -172.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.49 130.25 4.85 Favored Pre-proline 0 N--CA 1.481 1.1 0 CA-C-O 117.587 -1.197 . . . . 0.0 110.534 168.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -45.7 -43.25 18.89 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 124.26 3.307 . . . . 0.0 116.743 -169.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.54 -43.49 98.68 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.773 0.715 . . . . 0.0 112.28 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -70.03 -43.05 72.09 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.733 174.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -46.89 66.72 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.348 1.431 . . . . 0.0 110.657 170.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.84 -46.95 86.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 119.162 0.892 . . . . 0.0 111.152 175.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.96 -56.09 23.53 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.997 0.919 . . . . 0.0 113.225 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.88 -49.21 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 CA-C-N 119.088 0.858 . . . . 0.0 111.612 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.3 m -72.8 -38.92 67.06 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.208 0.913 . . . . 0.0 111.483 -168.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.26 -52.74 64.02 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-O 118.78 -0.628 . . . . 0.0 110.063 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.59 -37.39 87.16 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.749 -0.643 . . . . 0.0 111.889 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . 0.524 ' CZ2' ' HB3' ' B' ' 72' ' ' SER . 1.1 t90 -54.29 -47.68 72.12 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.138 0.881 . . . . 0.0 111.979 171.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.75 -8.44 7.74 Favored Glycine 0 CA--C 1.54 1.629 0 C-N-CA 125.125 1.345 . . . . 0.0 115.816 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.04 -8.51 5.97 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.978 2.111 . . . . 0.0 111.593 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.61 135.81 25.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.146 1.378 . . . . 0.0 110.092 173.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -85.2 84.33 7.72 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 45.9 t -52.49 -36.57 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -165.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -72.29 -36.32 68.93 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -91.1 -49.82 6.19 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.744 -0.597 . . . . 0.0 110.978 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -28.62 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 118.999 0.818 . . . . 0.0 112.277 169.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.68 -46.54 7.83 Favored Glycine 0 C--N 1.34 0.79 0 CA-C-N 119.44 1.018 . . . . 0.0 111.987 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.31 -39.99 93.39 Favored Glycine 0 N--CA 1.469 0.86 0 CA-C-N 118.104 0.952 . . . . 0.0 111.82 168.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.22 -52.08 60.53 Favored 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 124.613 1.165 . . . . 0.0 111.859 172.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.552 ' HA ' HG11 ' B' ' 113' ' ' VAL . . . -61.87 -49.76 74.95 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.913 1.688 . . . . 0.0 112.336 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.539 HD21 ' CD2' ' B' ' 63' ' ' HIS . 22.9 tp -69.79 -45.67 67.44 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 119.064 -0.493 . . . . 0.0 111.501 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.14 -45.48 95.94 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 119.482 1.037 . . . . 0.0 112.288 176.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.572 ' HA ' HG22 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -59.9 -28.34 67.49 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 117.871 -1.062 . . . . 0.0 111.567 175.675 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -53.8 32.97 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.493 1.497 . . . . 0.0 110.684 175.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.536 HD22 ' H ' ' B' ' 32' ' ' LEU . 1.0 OUTLIER -70.2 -31.0 68.25 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.993 0.517 . . . . 0.0 112.041 -179.234 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.572 HG22 ' HA ' ' B' ' 30' ' ' ARG . 1.0 OUTLIER -79.89 -10.32 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 174.833 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 98.5 t -100.48 -44.04 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-N 120.598 1.544 . . . . 0.0 110.82 176.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . 0.411 ' CZ ' HD22 ' B' ' 105' ' ' LEU . 83.6 m-85 -125.09 69.54 59.28 Favored Pre-proline 0 CA--C 1.533 0.294 0 C-N-CA 124.611 1.164 . . . . 0.0 110.574 -178.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_exo -44.12 -32.49 4.88 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.887 3.058 . . . . 0.0 115.907 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -51.05 -41.12 59.67 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.39 1.076 . . . . 0.0 113.049 174.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 75.1 p -59.91 -25.94 65.52 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.682 1.193 . . . . 0.0 112.62 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.32 -22.13 52.0 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-O 118.22 -0.895 . . . . 0.0 112.426 174.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -55.37 -33.32 63.32 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 121.245 1.838 . . . . 0.0 112.631 176.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -84.37 13.01 5.81 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 174.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 0.474 ' CG ' ' N ' ' B' ' 43' ' ' GLU . 0.8 OUTLIER -62.47 -78.27 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.908 1.231 . . . . 0.0 111.259 172.846 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.474 ' N ' ' CG ' ' B' ' 42' ' ' PHE . 40.5 mt-10 41.23 5.48 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.327 0 N-CA-C 117.906 2.558 . . . . 0.0 117.906 -165.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 92.2 p -142.11 -33.44 0.48 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.352 1.861 . . . . 0.0 114.144 -171.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.451 ' CE2' HD21 ' B' ' 32' ' ' LEU . 3.8 m-85 -50.91 -30.93 16.01 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.653 1.981 . . . . 0.0 112.99 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.56 -50.02 3.74 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.526 1.536 . . . . 0.0 114.379 165.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -92.3 -118.41 0.08 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.68 1.192 . . . . 0.0 108.172 171.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.95 -19.44 0.05 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 127.573 2.349 . . . . 0.0 116.323 -177.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 6.2 m -50.33 -25.06 3.39 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 127.048 2.139 . . . . 0.0 114.964 -176.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -132.35 157.55 77.99 Favored Pre-proline 0 N--CA 1.469 0.501 0 C-N-CA 125.848 1.659 . . . . 0.0 111.625 168.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -53.25 -50.84 12.57 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.36 3.373 . . . . 0.0 114.955 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -62.62 -35.59 80.06 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.064 0.945 . . . . 0.0 112.398 176.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.79 -38.25 88.51 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 118.6 -0.714 . . . . 0.0 112.639 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.493 HG21 HD23 ' B' ' 32' ' ' LEU . 0.5 OUTLIER -63.98 -38.17 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 CA-C-N 120.87 1.668 . . . . 0.0 112.361 177.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.66 -38.2 48.25 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.44 -15.92 78.99 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 123.756 0.693 . . . . 0.0 114.358 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -64.81 122.5 79.47 Favored Pre-proline 0 CA--C 1.547 0.848 0 CA-C-N 118.402 1.101 . . . . 0.0 112.733 -177.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -58.42 -35.49 98.62 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.167 2.578 . . . . 0.0 113.064 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -22.65 60.25 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 177.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 73.4 t -77.91 -35.94 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 CA-C-N 120.214 1.37 . . . . 0.0 110.986 169.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -60.97 -48.36 82.16 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.501 1.046 . . . . 0.0 111.606 167.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.3 -48.11 76.91 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' HIS . . . . . 0.539 ' CD2' HD21 ' B' ' 28' ' ' LEU . 1.0 OUTLIER -64.62 -36.24 83.62 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 120.533 -1.354 . . . . 0.0 111.262 171.765 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.95 -47.96 64.22 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 125.913 1.72 . . . . 0.0 113.117 172.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -59.97 -32.52 70.9 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 169.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -76.83 -47.86 20.18 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.295 1.038 . . . . 0.0 113.36 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.82 -42.88 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-N 119.814 1.188 . . . . 0.0 110.773 170.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -77.71 -34.27 52.83 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.778 -1.202 . . . . 0.0 112.772 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.06 -33.33 50.99 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.546 1.546 . . . . 0.0 113.223 167.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.42 -43.11 74.05 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.603 -0.94 . . . . 0.0 112.358 169.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -59.06 -40.99 86.86 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 120.291 1.405 . . . . 0.0 112.17 173.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . 0.524 ' HB3' ' CZ2' ' B' ' 15' ' ' TRP . 0.3 OUTLIER -66.86 -40.58 87.91 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 120.989 1.722 . . . . 0.0 114.087 171.035 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -56.87 -27.4 60.37 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.79 1.177 . . . . 0.0 111.947 169.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.14 -69.13 1.38 Allowed Glycine 0 C--N 1.339 0.714 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 164.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.32 -30.61 12.42 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -178.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.6 -14.33 58.89 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.986 1.714 . . . . 0.0 114.935 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -149.54 36.01 0.72 Allowed 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -167.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 69.4 mt -64.3 -2.45 2.18 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -79.22 -7.03 57.93 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.892 1.677 . . . . 0.0 114.217 174.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -133.55 -47.87 0.82 Allowed 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -174.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 50.22 14.93 0.16 Allowed 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 126.678 1.991 . . . . 0.0 116.36 -175.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -139.72 -60.92 0.54 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.179 -1.575 . . . . 0.0 111.281 -177.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.47 -38.27 90.49 Favored Glycine 0 N--CA 1.478 1.46 0 C-N-CA 124.098 0.856 . . . . 0.0 114.865 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.5 t -69.66 -24.97 63.69 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.418 1.109 . . . . 0.0 113.122 175.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -109.67 1.52 19.59 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 117.504 -1.236 . . . . 0.0 114.187 -174.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.11 -40.06 57.59 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 121.194 1.815 . . . . 0.0 114.265 -171.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.4 p -64.17 -44.08 93.17 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.646 1.179 . . . . 0.0 113.117 172.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 12.4 mt -66.69 -43.2 85.06 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 118.425 -0.798 . . . . 0.0 111.397 173.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 5.2 t -59.62 -40.42 87.5 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.67 1.188 . . . . 0.0 111.77 176.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.83 -54.83 40.35 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.644 0.778 . . . . 0.0 111.678 170.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 28.3 tp -52.27 -48.33 65.34 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.214 -0.929 . . . . 0.0 111.299 175.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -81.68 11.69 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 125.596 1.558 . . . . 0.0 114.292 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 40.5 t -134.18 -56.67 0.86 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.589 1.156 . . . . 0.0 111.112 175.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -74.14 -43.83 55.97 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.004 -1.06 . . . . 0.0 112.221 -175.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -84.94 -37.05 20.99 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.727 0.811 . . . . 0.0 111.723 173.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 8.6 mt -136.88 54.47 1.87 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 124.836 1.254 . . . . 0.0 113.187 -167.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -59.05 19.99 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 116.353 1.983 . . . . 0.0 116.353 177.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -41.55 136.59 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 126.197 1.799 . . . . 0.0 112.121 -178.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.57 128.86 43.91 Favored Pre-proline 0 CA--C 1.557 1.238 0 CA-C-O 118.396 -0.811 . . . . 0.0 111.826 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -44.88 -29.8 3.94 Favored 'Trans proline' 0 C--N 1.357 1.005 1 C-N-CA 125.705 4.27 . . . . 0.0 117.313 -169.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -45.87 -40.57 10.12 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.039 1.736 . . . . 0.0 112.735 171.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.68 -32.56 73.66 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.52 -1.362 . . . . 0.0 113.052 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -68.85 -47.87 64.88 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.595 1.088 . . . . 0.0 110.225 174.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -44.16 73.97 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.521 0.728 . . . . 0.0 110.683 174.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.411 HD22 ' CZ ' ' B' ' 35' ' ' TYR . 58.6 mt -59.41 -48.11 82.9 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.836 1.255 . . . . 0.0 112.941 173.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -46.67 82.11 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.9 1.227 . . . . 0.0 111.105 175.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' GLY . . . . . 0.404 ' HA3' HG11 ' B' ' 134' ' ' VAL . . . -55.47 -49.63 63.85 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 123.693 0.663 . . . . 0.0 113.793 173.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -56.89 -36.8 70.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.91 1.684 . . . . 0.0 111.945 176.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.34 -48.69 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 O-C-N 121.285 -0.884 . . . . 0.0 111.971 173.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 60.3 tp -53.51 -50.19 65.94 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.362 0.983 . . . . 0.0 111.229 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 22.9 m -61.78 -35.75 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.14 -38.22 82.46 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.175 0.898 . . . . 0.0 113.011 169.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . 0.552 HG11 ' HA ' ' B' ' 27' ' ' ALA . 2.1 m -74.58 -36.55 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.957 1.253 . . . . 0.0 112.902 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.57 -38.0 89.45 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.847 -0.533 . . . . 0.0 110.41 172.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.42 -35.41 77.48 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 171.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -60.68 -59.44 5.39 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.659 0.663 . . . . 0.0 110.823 168.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -76.24 -23.89 54.54 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -166.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -130.74 23.65 5.02 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.917 1.287 . . . . 0.0 113.317 -172.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -38.69 -37.0 0.51 Allowed Glycine 0 N--CA 1.48 1.616 0 N-CA-C 117.712 1.845 . . . . 0.0 117.712 -173.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -63.27 -46.59 86.11 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.247 1.419 . . . . 0.0 112.872 175.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -85.54 -23.93 27.47 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.057 1.743 . . . . 0.0 111.457 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -73.75 45.73 0.2 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.327 2.251 . . . . 0.0 112.643 169.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 3.8 t -52.61 150.57 9.1 Favored Pre-proline 0 N--CA 1.475 0.782 0 C-N-CA 124.549 1.14 . . . . 0.0 110.889 167.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . 0.275 13.4 Cg_exo -32.62 -49.65 0.36 Allowed 'Trans proline' 0 CA--C 1.55 1.285 0 C-N-CA 124.7 3.6 . . . . 0.0 117.953 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . 0.439 ' HA ' HD11 ' A' ' 34' ' ' LEU . 23.2 Cg_exo -65.82 -24.47 54.1 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.741 2.294 . . . . 0.0 116.469 -179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 1.6 t -59.75 -42.02 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 119.493 1.042 . . . . 0.0 111.685 178.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -62.96 -44.34 96.31 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.584 175.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.91 92.14 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.421 1.01 . . . . 0.0 111.586 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -56.44 -55.54 32.34 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.368 0.667 . . . . 0.0 112.44 173.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -57.82 -47.49 82.47 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 121.532 -0.73 . . . . 0.0 111.452 175.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -53.97 -34.94 61.16 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 117.355 -1.307 . . . . 0.0 113.028 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -75.51 -45.88 35.6 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 120.134 1.334 . . . . 0.0 113.378 173.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 1.3 p -62.21 -39.43 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 CA-C-N 120.835 1.652 . . . . 0.0 111.391 176.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.404 HG11 ' HA3' ' B' ' 107' ' ' GLY . 56.0 t -64.55 -39.53 85.92 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 C-N-CA 126.536 1.934 . . . . 0.0 111.351 174.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.48 96.22 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.843 1.201 . . . . 0.0 111.734 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.74 -48.67 76.0 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 174.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 2.0 t -62.43 -42.18 94.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 173.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.46 -48.73 80.48 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 120.258 1.39 . . . . 0.0 111.236 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -64.4 -33.0 74.86 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 172.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.81 66.71 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 119.523 1.056 . . . . 0.0 111.668 172.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.33 -24.59 63.93 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.391 -0.818 . . . . 0.0 111.365 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . 0.481 ' HA ' ' CE1' ' B' ' 145' ' ' TYR . . . -86.29 -1.07 57.17 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 169.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -60.0 -47.35 86.2 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 119.765 -1.834 . . . . 0.0 112.444 -175.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -57.91 -5.38 0.41 Allowed 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 145' ' ' TYR . . . . . 0.481 ' CE1' ' HA ' ' B' ' 142' ' ' ALA . 1.4 m-85 . . . . . 0 CA--C 1.55 0.946 0 C-N-CA 124.833 1.253 . . . . 0.0 111.877 178.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.369 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . 0.622 HD13 HG22 ' C' ' 73' ' ' VAL . 0.6 OUTLIER -152.02 170.95 18.65 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 122.572 2.442 . . . . 0.0 109.914 -177.855 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 168.93 -27.3 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.622 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -58.72 -161.07 0.02 OUTLIER 'Trans proline' 0 CA--C 1.545 1.072 0 C-N-CA 124.339 3.36 . . . . 0.0 115.189 172.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -45.86 -29.93 1.53 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.958 1.303 . . . . 0.0 114.285 177.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -47.45 -63.4 1.06 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 168.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -50.97 -45.07 60.76 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.039 1.336 . . . . 0.0 111.12 175.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 96.9 m -61.01 -49.58 76.83 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.606 0.762 . . . . 0.0 112.271 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.1 -38.24 90.09 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.121 0.969 . . . . 0.0 112.023 178.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 48.6 t -62.08 -47.91 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.744 1.218 . . . . 0.0 111.395 172.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -61.25 -44.66 96.89 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.317 0.962 . . . . 0.0 111.96 173.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.95 -50.24 74.03 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.389 0.676 . . . . 0.0 111.181 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.77 -57.51 12.44 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.76 0.824 . . . . 0.0 111.358 173.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -63.55 -23.97 67.61 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -175.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.81 -40.18 98.16 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.949 1.262 . . . . 0.0 113.358 170.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -70.66 -35.6 72.94 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.239 1.019 . . . . 0.0 111.304 170.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 98.6 t -64.9 -29.15 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.788 1.235 . . . . 0.0 113.248 176.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.37 123.28 1.02 Allowed Glycine 0 CA--C 1.542 1.74 0 C-N-CA 125.178 1.37 . . . . 0.0 113.817 176.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 81.16 -41.98 0.17 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 129.312 3.045 . . . . 0.0 114.28 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -77.13 -11.74 59.85 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.534 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -42.38 -52.94 4.42 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.615 1.966 . . . . 0.0 113.767 -178.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.04 -33.28 86.75 Favored Glycine 0 CA--C 1.527 0.79 0 O-C-N 121.829 -0.544 . . . . 0.0 114.219 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.68 -45.6 89.37 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.385 1.074 . . . . 0.0 109.927 173.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' TYR . . . . . 0.451 ' HA ' HG21 ' C' ' 108' ' ' THR . 14.4 m-30 -65.91 -37.37 85.91 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.88 -49.71 75.55 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 123.258 0.456 . . . . 0.0 112.367 168.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.27 -49.12 77.06 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.233 1.017 . . . . 0.0 112.479 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -38.26 90.45 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 121.743 -0.598 . . . . 0.0 112.386 174.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.42 98.87 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.646 1.112 . . . . 0.0 112.254 177.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 65.4 mt -62.82 -49.43 74.93 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.128 0.971 . . . . 0.0 111.62 174.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -57.22 -46.65 82.76 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.598 0.636 . . . . 0.0 112.069 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 ttm-85 -61.19 -46.21 91.4 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.979 0.912 . . . . 0.0 111.568 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 47.2 ttp -58.4 -51.02 71.6 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 118.896 -0.573 . . . . 0.0 111.05 173.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -52.31 -57.25 10.34 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.544 0.738 . . . . 0.0 111.882 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.453 HD11 ' HA ' ' D' ' 125' ' ' PRO . 0.6 OUTLIER -69.53 -36.03 76.02 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.265 0.484 . . . . 0.0 111.572 -174.582 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 10.1 t -75.01 -30.63 61.18 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.432 0.693 . . . . 0.0 112.844 -175.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' PHE . . . . . 0.516 ' CE2' HD22 ' C' ' 100' ' ' LEU . 98.5 m-85 -136.77 71.0 58.05 Favored Pre-proline 0 CA--C 1.536 0.428 0 C-N-CA 126.109 1.764 . . . . 0.0 109.338 -175.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -60.91 -13.28 26.18 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.114 2.542 . . . . 0.0 113.65 -173.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.2 -36.13 1.64 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 163.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -36.57 74.78 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 121.573 1.988 . . . . 0.0 113.804 173.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -17.6 29.17 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 120.778 1.626 . . . . 0.0 114.457 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.25 -20.78 60.04 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 176.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -69.59 14.83 0.09 Allowed 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 119.103 0.865 . . . . 0.0 113.1 178.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 9.7 t80 63.56 59.73 1.89 Allowed Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 126.985 2.114 . . . . 0.0 112.07 172.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -62.3 123.64 12.85 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.68 2.92 . . . . 0.0 110.618 -175.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -66.93 3.78 1.0 Allowed 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 175.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -140.91 150.28 42.97 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.696 1.998 . . . . 0.0 111.301 -167.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.14 95.3 3.07 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 166.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.506 HD13 ' H ' ' C' ' 48' ' ' LEU . 0.0 OUTLIER -59.72 1.87 0.09 Allowed 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 115.562 1.69 . . . . 0.0 115.562 172.184 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 5.4 m -59.32 155.17 15.08 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 127.445 2.298 . . . . 0.0 113.71 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -50.67 141.28 13.03 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 169.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.31 1.74 29.65 Favored Glycine 0 CA--C 1.541 1.679 0 N-CA-C 116.223 1.249 . . . . 0.0 116.223 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 11.5 t -60.25 136.13 57.94 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.986 1.393 . . . . 0.0 113.528 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.23 -20.53 66.1 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 171.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -82.02 -41.52 20.56 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.739 0.816 . . . . 0.0 111.313 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 91.5 t -62.73 -40.39 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.765 0.826 . . . . 0.0 112.048 -177.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -59.25 -42.8 91.98 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.305 0.957 . . . . 0.0 113.178 174.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.49 -44.51 72.57 Favored Glycine 0 N--CA 1.472 1.061 0 C-N-CA 123.843 0.735 . . . . 0.0 112.486 -178.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -61.22 -47.89 84.01 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 122.204 -0.586 . . . . 0.0 110.878 170.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.43 -49.59 56.29 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 124.385 0.993 . . . . 0.0 113.913 176.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -53.35 -46.39 69.52 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.548 1.139 . . . . 0.0 112.077 171.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -44.82 80.47 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 60.8 t -57.8 -43.63 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 120.057 1.299 . . . . 0.0 110.377 171.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 63' ' ' ALA . . . . . 0.534 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -64.88 -46.11 83.16 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 118.634 -0.698 . . . . 0.0 112.538 178.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.39 -37.65 78.52 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.842 1.201 . . . . 0.0 112.323 173.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.3 -40.84 95.66 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.841 -0.537 . . . . 0.0 112.079 170.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -41.22 98.08 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 118.546 -0.74 . . . . 0.0 111.641 171.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 13.9 m -58.33 -42.92 87.88 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 120.298 1.408 . . . . 0.0 111.39 171.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . 0.456 HD21 HD23 ' C' ' 80' ' ' LEU . 0.0 OUTLIER -66.64 -31.26 71.83 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.892 1.224 . . . . 0.0 111.995 174.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.43 -41.82 75.81 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.336 172.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 81.9 t -65.23 -48.66 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 120.059 1.299 . . . . 0.0 111.119 174.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.46 -30.62 65.19 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.296 1.438 . . . . 0.0 113.071 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -129.37 35.02 4.29 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 124.675 1.19 . . . . 0.0 111.252 -176.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.622 HG22 HD13 ' C' ' 2' ' ' LEU 0.259 8.5 p -57.61 -25.48 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 O-C-N 119.951 -1.718 . . . . 0.0 113.779 -171.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -94.53 -11.78 28.89 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 170.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -124.52 5.96 8.28 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.118 2.167 . . . . 0.0 112.834 -167.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -78.86 -3.78 0.07 OUTLIER Pre-proline 0 CA--C 1.55 0.948 0 N-CA-C 118.963 2.949 . . . . 0.0 118.963 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -43.64 -34.12 5.21 Favored 'Trans proline' 0 C--N 1.362 1.286 0 CA-C-N 125.148 2.874 . . . . 0.0 117.06 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.08 6.0 9.23 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.575 1.15 . . . . 0.0 113.952 173.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.58 -29.91 61.51 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.334 -1.479 . . . . 0.0 112.156 171.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 80' ' ' LEU . . . . . 0.456 HD23 HD21 ' C' ' 68' ' ' ASN . 75.1 mt -80.88 1.65 29.92 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.458 0.703 . . . . 0.0 112.836 173.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 66.9 m -57.04 -31.08 64.79 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.63 -28.98 69.5 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 120.452 1.478 . . . . 0.0 112.854 172.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 83' ' ' LEU . . . . . 0.41 HD12 HD22 ' C' ' 80' ' ' LEU . 5.9 mt -82.65 -37.95 24.17 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.406 1.483 . . . . 0.0 110.845 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 18.9 m -66.67 -29.24 69.2 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 124.408 1.083 . . . . 0.0 112.466 167.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -68.04 -47.88 67.17 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.449 1.477 . . . . 0.0 111.038 169.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 7.2 tp -50.85 -52.49 41.04 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.439 0.696 . . . . 0.0 111.41 167.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -69.94 -50.72 39.28 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 118.185 -0.912 . . . . 0.0 112.132 -176.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.42 -16.42 54.48 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 120.955 1.707 . . . . 0.0 114.738 -175.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -124.08 14.86 9.15 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.903 1.281 . . . . 0.0 113.263 -175.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -140.78 -53.18 0.48 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 116.175 1.917 . . . . 0.0 116.175 175.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mp -131.03 -21.86 2.63 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 116.656 2.095 . . . . 0.0 116.656 -176.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 50.76 31.68 6.23 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.74 2.016 . . . . 0.0 114.704 171.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 t -54.97 135.45 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.225 1.41 . . . . 0.0 111.994 -173.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -51.87 133.59 38.2 Favored Pre-proline 0 CA--C 1.554 1.113 0 C-N-CA 122.995 0.518 . . . . 0.0 112.387 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -47.08 -22.59 2.25 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 124.891 3.728 . . . . 0.0 116.621 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 13.9 p -46.11 -47.45 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 119.882 1.219 . . . . 0.0 111.892 169.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -65.96 -23.71 66.65 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 120.046 1.294 . . . . 0.0 112.472 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -60.27 -52.94 63.14 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.131 1.332 . . . . 0.0 109.006 170.527 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -56.16 -34.38 66.11 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.797 0.839 . . . . 0.0 111.275 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 100' ' ' LEU . . . . . 0.516 HD22 ' CE2' ' C' ' 36' ' ' PHE . 66.7 mt -68.78 -53.25 22.84 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.723 0.809 . . . . 0.0 111.82 175.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -39.98 94.84 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.592 1.087 . . . . 0.0 112.126 -177.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 78.1 p -64.76 -42.86 94.82 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 119.002 0.819 . . . . 0.0 111.379 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -58.19 -50.07 74.83 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.524 0.73 . . . . 0.0 111.442 169.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 91.3 m -59.17 -37.5 77.51 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.226 -0.893 . . . . 0.0 113.137 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 46.0 mt -61.42 -55.46 31.11 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 117.988 -1.006 . . . . 0.0 111.805 172.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 15.2 mt -45.89 -44.73 14.78 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.149 0.886 . . . . 0.0 111.177 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.7 -48.42 88.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 118.339 -0.839 . . . . 0.0 113.144 173.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 108' ' ' THR . . . . . 0.451 HG21 ' HA ' ' C' ' 24' ' ' TYR . 0.2 OUTLIER -62.4 -44.03 97.41 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.86 1.664 . . . . 0.0 112.453 178.156 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.85 -46.53 89.04 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.063 0.545 . . . . 0.0 110.382 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.74 -27.78 59.92 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 173.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.71 -5.39 40.3 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 174.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -131.84 -23.72 2.24 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.659 1.725 . . . . 0.0 115.659 -173.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.8 mp -100.35 158.05 32.68 Favored Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 124.249 1.02 . . . . 0.0 110.342 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -53.47 -35.48 76.24 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 123.837 3.025 . . . . 0.0 114.802 -171.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' C' ' 117' ' ' PHE . . . -140.87 -56.78 0.51 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.023 1.329 . . . . 0.0 110.718 176.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 65.08 -13.9 0.11 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -177.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 117' ' ' PHE . . . . . 0.409 ' H ' ' C ' ' C' ' 115' ' ' ALA . 0.1 OUTLIER -126.29 17.88 7.67 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 126.904 2.081 . . . . 0.0 110.762 -173.55 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 1.1 p -54.34 163.37 1.31 Allowed Pre-proline 0 N--CA 1.488 1.445 0 C-N-CA 124.889 1.276 . . . . 0.0 110.37 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 119' ' ' PRO . . . . . 0.478 ' HA ' HG21 ' D' ' 33' ' ' VAL . 37.9 Cg_exo -51.9 -41.37 63.68 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 CA-C-N 120.465 1.202 . . . . 0.0 113.958 176.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.67 -49.93 14.94 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 122.84 0.456 . . . . 0.0 111.226 174.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 41.1 t -70.74 -40.51 76.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.096 -1.003 . . . . 0.0 111.493 -168.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.37 -45.32 93.68 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.464 1.029 . . . . 0.0 111.84 174.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.43 -55.37 32.51 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 122.865 0.466 . . . . 0.0 109.965 173.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 69.6 m -53.51 -51.21 63.57 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 126.436 1.894 . . . . 0.0 112.763 -176.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 9.7 mt -70.86 -44.61 66.02 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 117.979 -1.01 . . . . 0.0 112.553 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -62.81 -48.27 79.83 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.927 1.239 . . . . 0.0 111.667 -177.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -30.88 71.09 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 173.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -66.41 -53.08 39.91 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.789 1.177 . . . . 0.0 111.729 171.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 5.1 mt -59.08 -36.97 76.01 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.355 0.979 . . . . 0.0 110.324 175.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.59 -48.25 72.36 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.634 1.106 . . . . 0.0 112.128 167.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 131' ' ' SER . . . . . 0.482 ' CB ' HD11 ' C' ' 2' ' ' LEU . 20.9 m -60.05 -46.05 90.82 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 170.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 34.2 t -54.17 -51.49 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 119.356 0.98 . . . . 0.0 108.908 176.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 45.7 m -60.3 -50.16 74.75 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 125.918 1.687 . . . . 0.0 112.961 176.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 55.7 m -52.72 -41.45 63.98 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.719 1.599 . . . . 0.0 111.826 176.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 91.1 t -74.64 -38.92 46.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 122.713 0.405 . . . . 0.0 111.554 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.01 -23.77 64.13 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.475 -1.39 . . . . 0.0 113.863 174.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 60.8 p -95.39 -0.5 52.48 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.208 1.803 . . . . 0.0 111.789 171.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 CA--C 1.535 0.4 0 CA-C-O 122.464 1.126 . . . . 0.0 111.005 164.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.286 0.4 OUTLIER . . . . . 0 N--CA 1.518 2.927 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 t60 25.71 77.7 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 128.265 2.626 . . . . 0.0 115.456 -173.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.87 145.59 12.3 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.487 0.715 . . . . 0.0 112.028 -172.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.28 130.29 4.62 Favored Pre-proline 0 N--CA 1.482 1.14 0 CA-C-O 117.609 -1.186 . . . . 0.0 110.558 168.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -45.73 -43.38 18.89 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 124.346 3.364 . . . . 0.0 116.694 -169.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.53 -43.47 98.74 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 118.801 0.728 . . . . 0.0 112.346 176.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.98 -43.04 72.29 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.788 174.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -46.82 66.67 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 120.298 1.408 . . . . 0.0 110.66 170.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -46.74 87.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 119.24 0.927 . . . . 0.0 111.148 175.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.09 -55.99 24.91 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.011 0.924 . . . . 0.0 113.126 177.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.96 -49.32 80.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 119.117 0.872 . . . . 0.0 111.569 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -72.79 -38.79 67.12 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.258 0.935 . . . . 0.0 111.512 -168.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.45 -52.77 63.8 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 118.776 -0.63 . . . . 0.0 109.902 175.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.68 -37.36 87.05 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.683 0.674 . . . . 0.0 111.815 179.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 15' ' ' TRP . . . . . 0.526 ' CZ2' ' HB3' ' D' ' 72' ' ' SER . 1.1 t90 -54.25 -47.63 72.04 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.179 0.9 . . . . 0.0 112.028 171.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.85 -8.44 7.99 Favored Glycine 0 CA--C 1.541 1.665 0 C-N-CA 125.139 1.352 . . . . 0.0 115.808 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.03 -8.42 5.98 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.996 2.118 . . . . 0.0 111.666 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.7 135.92 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 125.148 1.379 . . . . 0.0 110.138 173.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -85.33 84.33 7.69 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 46.0 t -52.44 -36.65 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -165.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -72.3 -36.02 68.82 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 176.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -91.48 -49.84 6.11 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.793 -0.567 . . . . 0.0 110.97 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.09 -28.58 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 119.081 0.855 . . . . 0.0 112.41 169.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.66 -46.6 7.8 Favored Glycine 0 C--N 1.341 0.815 0 CA-C-N 119.418 1.008 . . . . 0.0 112.008 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.35 -39.83 93.27 Favored Glycine 0 N--CA 1.47 0.912 0 CA-C-N 118.158 0.979 . . . . 0.0 111.836 169.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.11 -52.33 59.71 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 124.521 1.128 . . . . 0.0 111.858 172.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 27' ' ' ALA . . . . . 0.553 ' HA ' HG11 ' D' ' 113' ' ' VAL . . . -61.75 -49.55 75.95 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.887 1.676 . . . . 0.0 112.436 -178.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . 0.539 HD21 ' CD2' ' D' ' 63' ' ' HIS . 23.4 tp -70.03 -45.6 66.84 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 119.025 -0.512 . . . . 0.0 111.459 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.15 -45.42 96.05 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 119.485 1.039 . . . . 0.0 112.263 176.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 30' ' ' ARG . . . . . 0.586 ' HA ' HG22 ' D' ' 33' ' ' VAL . 0.0 OUTLIER -59.87 -28.41 67.51 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 117.77 -1.109 . . . . 0.0 111.436 175.594 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -53.75 33.71 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 120.581 1.537 . . . . 0.0 110.645 175.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . 0.552 HD22 ' H ' ' D' ' 32' ' ' LEU . 1.0 OUTLIER -70.23 -31.05 68.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.894 0.478 . . . . 0.0 112.056 -179.121 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 33' ' ' VAL . . . . . 0.586 HG22 ' HA ' ' D' ' 30' ' ' ARG . 1.0 OUTLIER -79.8 -10.25 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 174.828 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 98.4 t -100.5 -44.13 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 120.688 1.585 . . . . 0.0 110.769 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 35' ' ' TYR . . . . . 0.414 ' CZ ' HD22 ' D' ' 105' ' ' LEU . 83.5 m-85 -125.07 69.68 59.43 Favored Pre-proline 0 CA--C 1.533 0.323 0 C-N-CA 124.563 1.145 . . . . 0.0 110.482 -178.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -44.23 -32.45 5.06 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.854 3.036 . . . . 0.0 115.858 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -50.93 -41.2 58.72 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.425 1.09 . . . . 0.0 113.139 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 75.3 p -59.88 -25.92 65.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.8 1.24 . . . . 0.0 112.585 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.3 -22.24 52.18 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 118.322 -0.847 . . . . 0.0 112.434 174.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -55.56 -32.99 63.46 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 121.246 1.839 . . . . 0.0 112.67 177.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -84.43 12.88 6.08 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 174.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 42' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' D' ' 43' ' ' GLU . 0.8 OUTLIER -62.39 -78.31 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.904 1.229 . . . . 0.0 111.213 172.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 43' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' D' ' 42' ' ' PHE . 41.3 mt-10 41.21 5.48 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.332 0 N-CA-C 117.977 2.584 . . . . 0.0 117.977 -165.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 92.1 p -142.14 -33.4 0.48 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.285 1.834 . . . . 0.0 114.106 -171.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . 0.454 ' CE2' HD21 ' D' ' 32' ' ' LEU . 3.7 m-85 -50.8 -31.05 15.84 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.696 1.999 . . . . 0.0 112.949 178.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.59 -50.09 3.76 Favored Glycine 0 N--CA 1.473 1.143 0 C-N-CA 125.47 1.509 . . . . 0.0 114.464 165.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -92.37 -118.32 0.08 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.628 1.171 . . . . 0.0 108.181 171.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.9 -19.45 0.05 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 127.509 2.324 . . . . 0.0 116.295 -177.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -50.32 -25.13 3.46 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 127.209 2.204 . . . . 0.0 114.894 -176.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -132.36 157.39 78.39 Favored Pre-proline 0 N--CA 1.468 0.444 0 C-N-CA 125.817 1.647 . . . . 0.0 111.642 168.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -53.08 -50.95 12.26 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 124.366 3.378 . . . . 0.0 114.893 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -62.52 -35.69 80.22 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.069 0.947 . . . . 0.0 112.409 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.72 -38.23 88.61 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 118.605 -0.712 . . . . 0.0 112.661 177.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . 0.494 HG21 HD23 ' D' ' 32' ' ' LEU . 0.6 OUTLIER -64.05 -38.08 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-N 120.892 1.678 . . . . 0.0 112.38 177.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -38.12 48.18 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.57 -15.85 78.87 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 123.651 0.643 . . . . 0.0 114.444 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -64.58 122.5 78.94 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-N 118.354 1.077 . . . . 0.0 112.787 -177.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -58.38 -35.47 98.65 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.266 2.644 . . . . 0.0 113.083 177.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -22.56 60.07 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 177.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 73.2 t -78.02 -36.03 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 CA-C-N 120.241 1.382 . . . . 0.0 110.941 169.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -60.77 -48.4 81.98 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.47 1.032 . . . . 0.0 111.698 167.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.18 76.53 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 63' ' ' HIS . . . . . 0.539 ' CD2' HD21 ' D' ' 28' ' ' LEU . 1.0 OUTLIER -64.51 -36.46 84.28 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 120.568 -1.333 . . . . 0.0 111.199 171.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.94 -48.0 64.07 Favored Glycine 0 N--CA 1.471 1.032 0 C-N-CA 125.984 1.755 . . . . 0.0 112.954 172.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -59.87 -32.6 70.87 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 170.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -76.94 -47.88 19.72 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.184 0.994 . . . . 0.0 113.285 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.71 -42.95 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.761 1.164 . . . . 0.0 110.931 170.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -77.6 -34.08 53.57 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.892 -1.13 . . . . 0.0 112.874 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.05 -33.6 51.28 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.568 1.556 . . . . 0.0 113.218 167.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.13 -43.11 75.04 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.607 -0.937 . . . . 0.0 112.47 169.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -58.96 -41.11 86.71 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.208 1.367 . . . . 0.0 112.325 173.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 72' ' ' SER . . . . . 0.526 ' HB3' ' CZ2' ' D' ' 15' ' ' TRP . 0.3 OUTLIER -66.73 -40.72 88.47 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 120.873 1.67 . . . . 0.0 114.055 171.055 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -56.87 -27.45 60.47 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.666 1.121 . . . . 0.0 111.929 169.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.12 -69.29 1.33 Allowed Glycine 0 C--N 1.338 0.646 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 164.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.31 -30.56 12.26 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -178.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.51 -14.42 58.89 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.994 1.718 . . . . 0.0 114.842 176.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -149.49 35.92 0.72 Allowed 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -167.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 69.7 mt -64.36 -2.41 2.2 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -79.29 -6.88 57.69 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.89 1.676 . . . . 0.0 114.181 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -133.67 -47.85 0.81 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -174.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 50.26 14.72 0.16 Allowed 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 -175.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -139.57 -60.84 0.55 Allowed 'General case' 0 N--CA 1.485 1.281 0 O-C-N 120.125 -1.609 . . . . 0.0 111.319 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.57 -38.34 91.08 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.01 0.814 . . . . 0.0 114.873 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.5 t -69.56 -25.14 63.85 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 118.429 1.114 . . . . 0.0 113.153 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -109.5 1.7 19.97 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -174.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.09 -40.15 57.72 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 121.072 1.76 . . . . 0.0 114.261 -171.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 4.3 p -64.09 -44.27 92.85 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.587 1.155 . . . . 0.0 113.039 172.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 12.4 mt -66.45 -43.35 85.81 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-O 118.567 -0.73 . . . . 0.0 111.41 173.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 5.2 t -59.5 -40.58 87.53 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.696 1.199 . . . . 0.0 111.737 176.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.75 -54.99 38.53 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.399 -0.813 . . . . 0.0 111.566 170.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 28.7 tp -52.12 -48.34 64.88 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.221 -0.924 . . . . 0.0 111.309 175.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -81.73 11.59 4.69 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 125.626 1.57 . . . . 0.0 114.23 -175.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 40.9 t -134.01 -56.71 0.87 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.696 1.198 . . . . 0.0 111.211 175.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -74.25 -43.71 55.9 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.128 -0.983 . . . . 0.0 112.175 -175.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -84.99 -37.07 20.87 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.658 0.783 . . . . 0.0 111.678 173.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 8.6 mt -136.84 54.49 1.87 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.906 1.282 . . . . 0.0 113.159 -166.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -59.14 20.1 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 116.169 1.914 . . . . 0.0 116.169 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -41.75 136.69 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 126.228 1.811 . . . . 0.0 112.01 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.51 128.86 43.35 Favored Pre-proline 0 CA--C 1.555 1.138 0 CA-C-O 118.353 -0.832 . . . . 0.0 111.898 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -45.05 -29.77 4.17 Favored 'Trans proline' 0 C--N 1.356 0.942 1 C-N-CA 125.717 4.278 . . . . 0.0 117.219 -169.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -45.73 -40.61 9.6 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.128 1.771 . . . . 0.0 112.755 171.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -32.69 73.89 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 120.468 -1.395 . . . . 0.0 112.926 178.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -68.7 -48.05 64.85 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.598 1.09 . . . . 0.0 110.224 174.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -44.15 73.64 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.556 0.742 . . . . 0.0 110.693 174.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 105' ' ' LEU . . . . . 0.414 HD22 ' CZ ' ' D' ' 35' ' ' TYR . 58.5 mt -59.56 -47.98 83.43 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.825 1.25 . . . . 0.0 112.852 173.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.12 -46.58 82.53 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.007 1.276 . . . . 0.0 111.077 175.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.61 -49.61 64.5 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 123.751 0.691 . . . . 0.0 113.688 173.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -57.04 -36.63 70.71 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.968 1.707 . . . . 0.0 111.902 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.43 -48.81 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 O-C-N 121.275 -0.891 . . . . 0.0 111.912 173.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 60.3 tp -53.4 -50.19 65.68 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.478 1.036 . . . . 0.0 111.29 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 23.2 m -61.92 -35.65 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.01 -38.3 82.27 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.193 0.906 . . . . 0.0 113.136 169.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 113' ' ' VAL . . . . . 0.553 HG11 ' HA ' ' D' ' 27' ' ' ALA . 2.1 m -74.48 -36.61 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 O-C-N 120.67 -1.269 . . . . 0.0 112.979 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.62 -38.03 89.59 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.263 0.483 . . . . 0.0 110.407 172.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.18 -35.45 77.18 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 171.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -60.77 -59.32 5.57 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.666 0.666 . . . . 0.0 110.876 168.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -76.29 -23.98 54.4 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -166.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -130.7 23.72 5.04 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.808 1.243 . . . . 0.0 113.253 -172.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -38.63 -37.1 0.51 Allowed Glycine 0 N--CA 1.48 1.623 0 N-CA-C 117.697 1.839 . . . . 0.0 117.697 -173.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -63.24 -46.64 85.99 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.294 1.438 . . . . 0.0 112.816 175.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -85.6 -23.89 27.39 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.104 1.762 . . . . 0.0 111.435 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -73.68 45.62 0.19 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.4 2.28 . . . . 0.0 112.63 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 3.8 t -52.55 150.51 9.08 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 124.649 1.18 . . . . 0.0 110.947 167.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . 0.276 13.4 Cg_exo -32.59 -49.49 0.36 Allowed 'Trans proline' 0 CA--C 1.549 1.229 0 C-N-CA 124.715 3.61 . . . . 0.0 118.06 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 125' ' ' PRO . . . . . 0.453 ' HA ' HD11 ' C' ' 34' ' ' LEU . 23.7 Cg_exo -65.81 -24.67 53.95 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.823 2.349 . . . . 0.0 116.371 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 1.6 t -59.66 -42.07 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.491 1.041 . . . . 0.0 111.704 178.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.1 -44.21 96.33 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 118.082 -0.961 . . . . 0.0 111.459 175.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.17 91.61 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.45 1.023 . . . . 0.0 111.617 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -56.28 -55.52 32.26 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.351 0.661 . . . . 0.0 112.469 173.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -57.87 -47.53 82.48 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 121.509 -0.745 . . . . 0.0 111.348 175.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -54.01 -34.88 61.08 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 117.459 -1.258 . . . . 0.0 113.002 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -75.42 -46.08 34.92 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 120.195 1.361 . . . . 0.0 113.357 173.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 1.3 p -62.1 -39.4 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 CA-C-N 120.906 1.685 . . . . 0.0 111.389 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 55.8 t -64.61 -39.51 85.87 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 C-N-CA 126.567 1.947 . . . . 0.0 111.375 174.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.46 96.21 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.7 1.136 . . . . 0.0 111.681 172.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.67 -48.69 75.45 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 174.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 2.0 t -62.33 -42.17 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 173.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.58 81.16 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 120.126 1.33 . . . . 0.0 111.27 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -64.38 -33.03 74.92 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 172.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.82 -51.89 66.42 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 119.515 1.052 . . . . 0.0 111.636 172.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.2 -24.81 64.08 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.458 -0.776 . . . . 0.0 111.387 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 142' ' ' ALA . . . . . 0.474 ' HA ' ' CE1' ' D' ' 145' ' ' TYR . . . -86.1 -1.05 57.03 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 169.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -59.96 -47.46 85.71 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 119.874 -1.766 . . . . 0.0 112.387 -176.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -57.91 -5.31 0.41 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 145' ' ' TYR . . . . . 0.474 ' CE1' ' HA ' ' D' ' 142' ' ' ALA . 1.4 m-85 -71.92 -7.28 47.63 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.774 1.23 . . . . 0.0 111.789 178.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 C--O 1.256 1.416 0 C-N-CA 125.683 1.593 . . . . 0.0 114.624 169.57 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.253 5.1 p . . . . . 0 N--CA 1.515 2.796 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.3 mt -137.09 172.71 12.6 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.66 1.584 . . . . 0.0 111.012 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.81 170.14 6.97 Favored Pre-proline 0 N--CA 1.475 0.811 0 C-N-CA 125.857 1.663 . . . . 0.0 110.682 -176.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -78.79 -40.8 0.27 Allowed 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.624 2.216 . . . . 0.0 112.931 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.1 -30.18 69.29 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -177.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.62 -43.47 98.79 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 118.801 0.728 . . . . 0.0 110.816 174.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -54.94 -49.75 70.59 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.934 0.894 . . . . 0.0 111.043 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.8 m -57.82 -44.28 86.32 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.806 0.842 . . . . 0.0 111.611 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -68.79 -35.37 76.95 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 177.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.0 t -65.9 -50.13 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 119.162 0.892 . . . . 0.0 110.992 172.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -58.64 -44.2 89.97 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.205 0.911 . . . . 0.0 111.334 176.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.12 -51.4 69.46 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.401 0.68 . . . . 0.0 111.825 175.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.06 -54.12 45.96 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.706 0.685 . . . . 0.0 112.254 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -61.92 -27.67 68.99 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.878 0.871 . . . . 0.0 112.916 -177.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.43 -36.89 93.98 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.218 0.913 . . . . 0.0 113.688 170.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -74.91 -35.0 62.22 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 118.438 1.119 . . . . 0.0 111.673 172.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.49 -51.03 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.144 0.978 . . . . 0.0 111.183 174.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.73 -133.79 9.24 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.274 0.94 . . . . 0.0 113.867 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.91 -22.25 47.65 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 178.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -70.73 -6.91 41.0 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 175.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.72 -43.28 57.88 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 120.772 -1.205 . . . . 0.0 112.67 176.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.44 -48.28 75.42 Favored Glycine 0 C--N 1.341 0.806 0 C-N-CA 123.461 0.553 . . . . 0.0 113.643 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -66.75 -35.3 79.79 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.05 0.925 . . . . 0.0 111.739 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -65.63 -35.75 81.71 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.265 0.938 . . . . 0.0 112.536 173.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.21 -46.59 70.33 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 119.43 1.013 . . . . 0.0 112.619 171.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.87 -49.73 74.59 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.934 0.894 . . . . 0.0 111.687 175.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -54.97 -48.84 72.71 Favored 'General case' 0 C--O 1.227 -0.107 0 C-N-CA 125.216 1.406 . . . . 0.0 111.898 170.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -62.53 -38.32 89.55 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.957 0.799 . . . . 0.0 112.852 -175.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.16 -51.51 66.13 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.283 1.033 . . . . 0.0 111.65 173.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -55.06 -53.24 58.39 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.639 -0.663 . . . . 0.0 111.698 173.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.6 mtt-85 -52.62 -40.43 62.74 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.74 1.216 . . . . 0.0 112.137 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.4 tmm? -59.9 -47.93 83.76 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.167 0.894 . . . . 0.0 112.058 173.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -61.64 -37.25 83.31 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.96 -35.45 14.69 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 178.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.5 m -71.16 -15.82 62.5 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.658 1.117 . . . . 0.0 113.197 176.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -142.43 79.37 15.61 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 125.201 1.4 . . . . 0.0 109.854 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -49.74 -27.83 16.19 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 123.946 3.097 . . . . 0.0 115.274 -178.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -32.71 9.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.013 1.725 . . . . 0.0 114.02 171.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -18.12 59.38 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 178.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -60.82 -27.4 68.03 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 120.409 1.459 . . . . 0.0 114.205 -176.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.7 t -57.51 -28.98 63.94 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 173.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -32.83 74.39 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-O 117.934 -1.031 . . . . 0.0 113.623 -175.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.3 t80 5.13 77.53 0.05 OUTLIER Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 128.869 2.868 . . . . 0.0 114.599 172.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -64.0 -57.06 0.38 Allowed 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 122.177 1.918 . . . . 0.0 111.846 -172.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -169.24 9.8 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 126.494 1.918 . . . . 0.0 113.567 174.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.12 140.74 41.95 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.758 -1.214 . . . . 0.0 112.996 -167.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.0 -42.21 76.77 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.2 mt 46.84 26.73 0.6 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.057 1.743 . . . . 0.0 114.652 -172.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.3 m -74.78 28.32 0.09 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.004 2.122 . . . . 0.0 115.19 -175.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 74.3 t60 62.14 136.37 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 127.93 2.492 . . . . 0.0 113.923 -166.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.82 16.78 64.26 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 124.052 0.834 . . . . 0.0 114.88 -177.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.7 m -55.54 112.01 1.03 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.97 2.108 . . . . 0.0 114.208 -170.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.83 -36.23 64.78 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -176.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -64.34 -35.64 81.54 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.552 -0.717 . . . . 0.0 112.644 175.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.09 -35.91 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 O-C-N 121.541 -0.725 . . . . 0.0 110.959 174.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -63.04 -49.05 76.1 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 119.152 0.887 . . . . 0.0 111.559 172.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.31 -52.7 47.58 Favored Glycine 0 N--CA 1.471 0.971 0 C-N-CA 124.35 0.976 . . . . 0.0 112.753 177.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -55.73 -43.77 76.88 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 117.95 0.875 . . . . 0.0 111.33 172.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.04 -50.61 54.51 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 124.401 1.001 . . . . 0.0 113.782 171.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -57.12 -41.36 78.88 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 119.187 1.493 . . . . 0.0 112.668 172.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -69.35 -45.05 70.35 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.988 0.813 . . . . 0.0 111.398 -178.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.9 t -53.86 -47.96 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.27 1.028 . . . . 0.0 110.567 168.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.95 -46.77 87.84 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.6 -42.57 99.65 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.017 0.927 . . . . 0.0 111.331 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.15 -40.18 80.69 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.756 0.823 . . . . 0.0 112.771 169.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.24 -44.1 84.69 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.574 -0.703 . . . . 0.0 111.604 173.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 66.4 m -57.79 -41.88 83.01 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.937 1.244 . . . . 0.0 112.025 172.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -58.26 -46.39 86.1 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.866 0.866 . . . . 0.0 111.404 170.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.7 -44.94 86.22 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.581 -0.699 . . . . 0.0 112.787 172.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -61.42 -45.13 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-N 120.059 1.3 . . . . 0.0 111.74 175.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.82 -23.99 66.8 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.978 1.311 . . . . 0.0 113.974 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -131.89 31.84 4.15 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.126 1.37 . . . . 0.0 111.679 -173.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.9 -18.8 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -164.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -102.75 -1.78 29.31 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.781 1.232 . . . . 0.0 114.056 173.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -127.75 -3.19 5.95 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.297 2.239 . . . . 0.0 113.084 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.414 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 22.5 ptt? -61.96 -19.05 0.49 Allowed Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 118.266 2.691 . . . . 0.0 118.266 -178.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -43.2 -24.4 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 124.523 3.482 . . . . 0.0 117.997 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -118.22 -22.29 7.79 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 167.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 76' ' ' MET . . . -63.44 -18.39 63.7 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 178.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.4 mt -101.44 3.99 40.9 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.213 1.005 . . . . 0.0 113.29 172.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.1 t -56.82 -36.57 70.1 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 120.101 1.318 . . . . 0.0 114.512 -169.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.68 -34.07 72.4 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.11 -0.994 . . . . 0.0 112.555 173.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.5 mt -76.57 -41.06 47.75 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.125 0.97 . . . . 0.0 110.575 174.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.2 m -59.14 -40.48 85.59 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.017 0.527 . . . . 0.0 112.109 175.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -60.99 -50.0 75.17 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.178 0.991 . . . . 0.0 112.234 172.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tp -49.45 -56.18 10.6 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.818 0.847 . . . . 0.0 110.929 171.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -69.79 -41.63 74.82 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.407 -0.808 . . . . 0.0 112.641 -174.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.29 -13.92 58.81 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -124.67 -47.75 1.82 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.692 1.133 . . . . 0.0 113.576 -172.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -65.39 -44.52 87.23 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.461 1.028 . . . . 0.0 113.277 -171.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 mp -130.5 1.84 4.55 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.761 1.224 . . . . 0.0 113.431 172.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.43 46.91 10.82 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 126.222 1.809 . . . . 0.0 112.829 -171.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.9 t -48.86 124.19 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 127.585 2.354 . . . . 0.0 111.414 -177.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -71.05 119.11 71.43 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 126.996 2.119 . . . . 0.0 112.797 -177.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -45.92 -32.61 9.69 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 124.868 3.712 . . . . 0.0 116.342 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.477 HG13 HD22 ' A' ' 97' ' ' ASN . 8.5 p -50.79 -38.88 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 O-C-N 120.779 -1.2 . . . . 0.0 112.898 172.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.477 HD22 HG13 ' A' ' 96' ' ' VAL . 0.9 OUTLIER -61.15 -37.53 83.19 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.651 1.114 . . . . 0.0 111.859 178.592 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -43.09 88.03 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-O 119.215 -0.422 . . . . 0.0 109.993 173.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -55.3 -41.42 72.33 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.465 0.706 . . . . 0.0 110.198 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.01 -58.7 7.31 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.531 1.132 . . . . 0.0 110.623 177.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -29.72 70.58 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.557 -0.714 . . . . 0.0 112.107 -178.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.4 t -60.75 -51.12 70.68 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.595 1.558 . . . . 0.0 112.345 173.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -57.55 -41.87 81.84 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.686 -0.634 . . . . 0.0 110.99 171.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 84.3 m -67.34 -34.9 78.3 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.0 mt -62.62 -51.35 67.64 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.806 1.242 . . . . 0.0 110.284 170.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.7 mt -51.19 -45.32 61.78 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.238 0.615 . . . . 0.0 112.018 172.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.1 t -55.66 -48.0 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.57 0.748 . . . . 0.0 112.948 171.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -36.16 83.06 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 120.343 1.428 . . . . 0.0 113.563 176.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.66 -46.91 83.47 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 120.136 1.335 . . . . 0.0 110.107 172.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.59 -38.95 56.84 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.437 1.095 . . . . 0.0 113.482 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.53 -12.09 60.38 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 -177.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -127.49 -26.97 2.94 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -171.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.56 178.93 2.13 Favored Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 124.497 1.119 . . . . 0.0 110.513 170.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -54.68 -147.1 0.0 OUTLIER 'Trans proline' 0 CA--C 1.55 1.302 1 C-N-CA 125.554 4.169 . . . . 0.0 115.188 164.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.1 50.67 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.505 1.922 . . . . 0.0 114.335 170.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -46.57 -34.54 5.01 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 128.665 2.786 . . . . 0.0 115.071 -164.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -73.27 48.94 0.25 Allowed 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.714 0.769 . . . . 0.0 111.98 165.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.48 164.53 37.34 Favored Pre-proline 0 N--CA 1.48 1.067 0 O-C-N 120.642 -1.287 . . . . 0.0 108.985 171.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -57.47 -54.29 3.63 Favored 'Trans proline' 0 C--N 1.346 0.432 0 CA-C-N 120.846 1.338 . . . . 0.0 112.115 172.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.45 -28.57 64.06 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 -175.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.2 t -88.17 -43.7 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 118.44 -0.79 . . . . 0.0 111.039 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -65.39 -53.58 41.15 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.05 1.295 . . . . 0.0 111.356 175.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.56 -1.02 5.82 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.4 t -93.54 -61.59 1.53 Allowed 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.912 0.885 . . . . 0.0 110.074 164.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.12 -37.91 84.49 Favored 'General case' 0 C--N 1.335 -0.057 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -171.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.48 -51.19 70.93 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 119.809 1.186 . . . . 0.0 111.363 177.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 -28.46 51.4 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.843 0.857 . . . . 0.0 113.225 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -60.77 -56.84 16.38 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 119.615 1.098 . . . . 0.0 110.21 168.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.88 -37.67 85.45 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.81 0.732 . . . . 0.0 111.465 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.06 -44.91 83.51 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.726 1.148 . . . . 0.0 112.317 170.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 34.9 t -62.71 -42.57 99.71 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.311 0.96 . . . . 0.0 113.282 171.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 95.2 t -51.99 -49.81 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-O 118.186 -0.911 . . . . 0.0 109.567 171.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.2 t -58.56 -54.97 40.99 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 118.37 -0.824 . . . . 0.0 113.011 174.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 95.5 m -49.19 -35.74 17.88 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.91 1.232 . . . . 0.0 112.588 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 50.8 t -75.06 -50.66 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.319 1.047 . . . . 0.0 112.246 172.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.51 -10.34 7.68 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.094 1.758 . . . . 0.0 114.451 175.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 38.0 p -119.44 2.07 11.24 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 127.076 2.151 . . . . 0.0 111.444 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 CA--C 1.54 0.581 0 C-N-CA 125.203 1.401 . . . . 0.0 112.746 170.319 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.303 2.4 p . . . . . 0 N--CA 1.506 2.351 0 CA-C-O 116.966 -1.492 . . . . 0.0 112.692 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 71.5 t60 22.82 77.07 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 127.677 2.391 . . . . 0.0 116.081 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.23 161.25 19.71 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.664 0.786 . . . . 0.0 110.794 176.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.5 p -67.47 157.76 84.64 Favored Pre-proline 0 N--CA 1.481 1.114 0 O-C-N 121.431 -0.793 . . . . 0.0 109.849 158.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -53.65 -38.9 84.68 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 122.466 2.111 . . . . 0.0 113.409 171.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -70.67 -43.03 69.95 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.609 1.164 . . . . 0.0 111.853 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -61.09 -42.95 99.45 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.459 -0.776 . . . . 0.0 111.49 170.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -60.13 -48.26 82.45 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.789 0.722 . . . . 0.0 110.962 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 51.3 m -55.23 -42.17 73.03 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 118.65 -0.69 . . . . 0.0 111.801 174.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.75 -56.25 24.66 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.263 0.938 . . . . 0.0 112.468 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.53 -52.97 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 119.543 1.065 . . . . 0.0 111.738 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.2 m -71.29 -34.06 70.3 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.156 0.889 . . . . 0.0 112.408 -170.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.56 77.59 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 120.113 1.324 . . . . 0.0 112.185 173.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -67.9 -42.42 81.17 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.402 -0.811 . . . . 0.0 110.532 172.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -51.27 -44.21 61.74 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.384 -0.822 . . . . 0.0 111.137 168.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.95 -12.45 15.14 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 127.077 2.275 . . . . 0.0 116.915 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.37 -2.13 7.5 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.492 1.646 . . . . 0.0 114.288 165.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.22 139.84 17.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 123.903 0.881 . . . . 0.0 111.862 -178.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -84.7 77.72 10.0 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.71 0.804 . . . . 0.0 109.523 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 62.8 t -48.51 -36.21 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 C-N-CA 124.573 1.149 . . . . 0.0 113.631 -170.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -83.61 -10.78 58.01 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.476 1.91 . . . . 0.0 115.914 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -114.11 -52.49 2.73 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.752 1.221 . . . . 0.0 110.42 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -32.32 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 121.216 -0.927 . . . . 0.0 111.904 172.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.96 -45.36 20.96 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 119.323 0.965 . . . . 0.0 112.01 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.69 -43.22 96.46 Favored Glycine 0 N--CA 1.469 0.888 0 CA-C-N 117.683 0.741 . . . . 0.0 112.188 172.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.0 -35.06 69.34 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 117.384 -1.293 . . . . 0.0 112.199 174.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.69 79.47 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 122.093 2.224 . . . . 0.0 111.309 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 tp -72.05 -44.26 63.62 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 122.345 -0.222 . . . . 0.0 111.198 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.54 -49.27 78.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 120.56 -1.337 . . . . 0.0 114.062 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -30.93 61.8 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 125.555 1.542 . . . . 0.0 112.142 175.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tt -78.12 -39.94 39.68 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.261 1.424 . . . . 0.0 112.852 172.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 53.9 mt -70.41 -34.15 72.18 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.728 -1.233 . . . . 0.0 110.72 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 22.6 m -75.96 -6.89 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.17 -4.79 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-N 121.17 1.804 . . . . 0.0 111.855 169.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 49.85 37.71 0.44 Allowed Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 125.652 1.581 . . . . 0.0 113.956 -166.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -81.92 178.04 6.82 Favored 'Trans proline' 0 C--N 1.359 1.079 0 C-N-CA 122.081 1.854 . . . . 0.0 110.271 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -40.22 -35.64 0.43 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 116.098 1.888 . . . . 0.0 116.098 176.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.427 HG22 ' CG ' ' B' ' 102' ' ' ASN . 24.2 p -54.69 -25.07 24.87 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.689 1.596 . . . . 0.0 114.411 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -46.56 -25.99 0.8 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.407 2.283 . . . . 0.0 114.91 173.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -50.95 -30.49 15.04 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -86.59 7.55 25.84 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -45.98 -39.79 9.49 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.89 1.676 . . . . 0.0 113.529 170.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.74 -22.33 57.49 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 16.7 t -97.31 -44.88 6.71 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.136 0.974 . . . . 0.0 112.181 173.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -61.76 -37.33 83.88 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.21 -106.18 2.96 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.56 1.076 . . . . 0.0 112.802 174.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.25 84.48 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.441 1.497 . . . . 0.0 112.655 177.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 tt -137.32 -19.03 1.26 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.964 1.706 . . . . 0.0 113.439 -174.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.7 t -54.93 -23.9 21.18 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.061 1.345 . . . . 0.0 114.37 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 32.4 p -124.95 154.51 71.13 Favored Pre-proline 0 N--CA 1.474 0.735 0 C-N-CA 124.507 1.123 . . . . 0.0 111.299 167.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -55.88 -42.73 64.09 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.099 2.532 . . . . 0.0 114.004 173.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.04 -37.56 83.05 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.445 0.698 . . . . 0.0 111.801 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.37 -54.72 36.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.589 0.356 . . . . 0.0 111.072 170.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -37.35 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -171.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -71.34 -27.08 63.13 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.457 1.026 . . . . 0.0 113.61 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.6 -1.13 59.02 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 124.388 0.994 . . . . 0.0 114.684 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -74.39 130.38 82.26 Favored Pre-proline 0 CA--C 1.555 1.135 0 C-N-CA 125.342 1.457 . . . . 0.0 112.887 -170.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -67.93 -37.3 15.7 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 123.787 2.991 . . . . 0.0 113.659 -177.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -66.11 -45.56 80.73 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 121.212 -0.93 . . . . 0.0 110.777 174.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 83.6 t -62.03 -46.45 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.724 0.81 . . . . 0.0 111.557 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -66.05 -38.43 88.34 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 119.614 1.097 . . . . 0.0 113.043 176.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.7 -45.25 90.9 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.399 1.0 . . . . 0.0 112.793 173.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -61.85 -35.91 79.66 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.236 -0.915 . . . . 0.0 111.08 173.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.68 -50.37 63.77 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.385 1.469 . . . . 0.0 114.066 166.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -58.61 -42.34 87.97 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.675 1.238 . . . . 0.0 111.508 173.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -63.19 -53.85 46.74 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.971 0.908 . . . . 0.0 112.593 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 18.3 m -57.74 -44.9 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 CA-C-N 119.394 0.997 . . . . 0.0 111.181 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 tt -71.94 -35.66 69.67 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.476 -0.765 . . . . 0.0 112.242 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.61 -42.04 93.95 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.333 0.968 . . . . 0.0 112.303 170.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.32 85.02 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.854 -0.792 . . . . 0.0 113.064 171.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -60.57 -35.59 76.44 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.514 -1.366 . . . . 0.0 111.331 170.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -41.42 87.61 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.448 1.099 . . . . 0.0 113.219 171.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -57.45 -32.53 67.01 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.453 1.024 . . . . 0.0 111.86 170.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.22 -63.6 4.76 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 123.725 0.679 . . . . 0.0 111.68 166.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.61 -35.15 40.56 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.41 -28.45 62.0 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 176.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.8 49.18 1.49 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.082 1.753 . . . . 0.0 111.424 -169.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.33 -21.54 62.17 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.753 -1.217 . . . . 0.0 113.912 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.18 -19.65 65.47 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 174.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -97.8 -65.84 0.94 Allowed 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 118.981 0.809 . . . . 0.0 112.662 -175.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 46.15 18.12 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 116.969 2.211 . . . . 0.0 116.969 -173.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -138.21 -66.09 0.5 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.269 1.428 . . . . 0.0 111.299 176.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.37 -35.02 77.1 Favored Glycine 0 N--CA 1.479 1.551 0 CA-C-N 118.882 0.764 . . . . 0.0 113.892 177.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.3 p -67.91 -13.82 62.47 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.327 1.851 . . . . 0.0 114.853 173.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -128.9 -4.33 5.13 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.526 1.53 . . . . 0.0 113.931 -174.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.99 -40.9 70.56 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 120.169 1.35 . . . . 0.0 113.414 -173.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 25.0 p -64.55 -36.59 84.72 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.754 1.221 . . . . 0.0 113.017 173.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 71.4 mt -77.17 -37.16 54.32 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.325 1.05 . . . . 0.0 112.04 176.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 4.3 t -61.27 -44.67 96.85 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.521 1.128 . . . . 0.0 110.304 171.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.85 -49.27 78.37 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.244 -0.91 . . . . 0.0 112.343 170.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 49.4 tp -55.64 -53.92 50.55 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.477 1.035 . . . . 0.0 112.116 177.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -82.53 -19.95 37.62 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -170.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 49.5 t -90.68 -64.54 1.12 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.732 0.813 . . . . 0.0 112.074 169.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -75.99 -40.49 53.6 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.49 -1.381 . . . . 0.0 113.223 -169.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.4 -41.49 21.85 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 56.4 mt -114.63 -24.19 8.88 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -171.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 34.11 46.95 0.17 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.792 2.437 . . . . 0.0 114.915 -169.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.58 150.37 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 120.879 -1.138 . . . . 0.0 110.612 -178.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -64.51 141.34 98.21 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 123.614 0.765 . . . . 0.0 112.75 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.65 -28.92 44.11 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.698 2.266 . . . . 0.0 114.108 -171.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -67.35 -27.45 67.14 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.847 -1.158 . . . . 0.0 112.656 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . 0.427 ' CG ' HG22 ' B' ' 38' ' ' THR . 49.7 t-20 -55.53 -49.99 71.18 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.169 1.387 . . . . 0.0 112.475 173.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -59.29 -46.31 88.89 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.657 1.183 . . . . 0.0 111.384 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -60.54 -44.93 95.55 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.746 0.818 . . . . 0.0 111.698 176.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.35 -46.2 91.22 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 118.567 -0.73 . . . . 0.0 112.007 175.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.99 -41.17 77.92 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.682 1.128 . . . . 0.0 109.82 176.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' GLY . . . . . 0.473 ' CA ' HG11 ' B' ' 134' ' ' VAL . . . -57.45 -55.44 30.44 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 115.029 0.771 . . . . 0.0 115.029 174.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.59 -40.34 94.43 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 118.239 1.02 . . . . 0.0 111.12 177.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 98.0 t -66.72 -36.22 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 O-C-N 121.122 -0.986 . . . . 0.0 111.746 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 14.1 tp -54.45 -55.28 30.45 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.726 1.148 . . . . 0.0 110.602 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.62 -30.08 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.043 0.838 . . . . 0.0 112.873 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 78.3 m -70.76 -46.93 62.05 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 174.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 13.7 p -65.16 -36.53 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 120.012 1.278 . . . . 0.0 111.653 174.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 68.5 mt -58.76 -47.43 84.7 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.506 1.048 . . . . 0.0 110.815 171.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.5 -34.99 77.97 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 175.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -65.49 -59.1 4.35 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.769 1.168 . . . . 0.0 112.005 169.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -65.39 -21.99 66.74 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -168.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -131.27 43.55 3.07 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.152 1.781 . . . . 0.0 111.228 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.3 -32.54 37.16 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.075 1.322 . . . . 0.0 116.202 -176.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -71.32 -8.83 56.32 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 118.783 1.291 . . . . 0.0 114.34 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -130.45 5.13 4.74 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.102 1.761 . . . . 0.0 113.193 -170.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.46 33.47 0.05 Allowed 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 -169.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 17.6 p -43.65 148.51 0.71 Allowed Pre-proline 0 N--CA 1.486 1.344 0 C-N-CA 125.139 1.376 . . . . 0.0 113.983 -167.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -45.66 -48.16 12.53 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 121.911 1.741 . . . . 0.0 114.426 174.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.07 -30.31 56.21 Favored 'Trans proline' 0 C--N 1.353 0.801 0 CA-C-O 116.9 -1.375 . . . . 0.0 114.043 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -40.21 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 122.683 2.492 . . . . 0.0 112.589 177.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -60.59 -54.23 47.95 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.948 0.499 . . . . 0.0 110.052 172.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.1 -36.8 82.8 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -177.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.42 -53.28 45.37 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.552 1.141 . . . . 0.0 111.528 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -56.07 -47.55 77.75 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 118.962 -0.542 . . . . 0.0 111.154 169.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -56.48 -40.31 74.69 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.78 0.718 . . . . 0.0 112.706 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -71.41 -33.1 69.14 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 120.014 1.279 . . . . 0.0 113.773 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 62.4 t -63.69 -50.87 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 CA-C-N 119.686 1.13 . . . . 0.0 109.664 168.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.473 HG11 ' CA ' ' B' ' 107' ' ' GLY . 12.0 t -61.86 -44.05 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 125.949 1.7 . . . . 0.0 112.725 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.03 97.27 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.398 0.999 . . . . 0.0 111.789 175.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.13 -44.99 88.57 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 123.319 0.485 . . . . 0.0 112.577 168.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.59 -44.18 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.731 1.212 . . . . 0.0 113.323 175.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.69 93.69 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.2 0.909 . . . . 0.0 110.679 176.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -61.35 -40.19 93.38 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.418 0.687 . . . . 0.0 112.105 174.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.63 -45.12 91.7 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.217 1.007 . . . . 0.0 112.606 173.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.77 -24.43 63.51 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.605 -1.309 . . . . 0.0 112.332 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.63 -11.79 59.91 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 167.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -57.15 -43.7 82.75 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.162 -1.586 . . . . 0.0 113.474 -173.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -65.34 -7.84 15.44 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 176.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 . . . . . 0 N--CA 1.475 0.818 0 CA-C-N 120.343 1.429 . . . . 0.0 112.256 175.828 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.258 5.0 p . . . . . 0 N--CA 1.514 2.768 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 45.5 mt -137.13 172.61 12.75 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.716 1.606 . . . . 0.0 111.077 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.81 170.25 6.82 Favored Pre-proline 0 N--CA 1.475 0.787 0 C-N-CA 125.81 1.644 . . . . 0.0 110.654 -176.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -78.95 -40.77 0.26 Allowed 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 122.525 2.15 . . . . 0.0 112.837 176.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.09 -30.4 69.57 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -177.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -43.69 98.4 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.869 0.759 . . . . 0.0 110.743 174.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -54.72 -49.57 70.43 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.798 0.839 . . . . 0.0 111.137 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 64.5 m -58.06 -43.86 87.14 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.614 0.766 . . . . 0.0 111.538 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -69.11 -35.03 76.0 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.72 -0.613 . . . . 0.0 112.646 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.26 -49.96 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 119.055 0.843 . . . . 0.0 110.997 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -58.77 -44.13 90.57 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.059 0.845 . . . . 0.0 111.351 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.24 -51.43 69.39 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.267 0.627 . . . . 0.0 111.862 175.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.02 -53.93 48.61 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.796 0.726 . . . . 0.0 112.346 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -62.25 -27.46 69.02 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.663 0.785 . . . . 0.0 112.861 -177.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.39 -36.89 93.99 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.186 0.898 . . . . 0.0 113.708 170.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -74.92 -35.09 62.2 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 118.354 1.077 . . . . 0.0 111.74 172.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.29 -50.88 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.957 0.903 . . . . 0.0 111.183 174.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.67 -133.87 9.06 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.223 0.916 . . . . 0.0 113.946 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.85 -22.19 46.66 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -70.7 -7.24 43.2 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 175.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.49 -43.4 55.55 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.813 -1.179 . . . . 0.0 112.716 176.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.29 -48.34 75.44 Favored Glycine 0 C--N 1.341 0.81 0 C-N-CA 123.436 0.541 . . . . 0.0 113.594 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -66.76 -35.22 79.6 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.149 0.975 . . . . 0.0 111.814 177.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -65.84 -35.62 81.16 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.212 0.914 . . . . 0.0 112.538 173.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.1 -46.78 69.26 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-N 119.27 0.941 . . . . 0.0 112.54 171.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.56 75.17 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.894 0.878 . . . . 0.0 111.578 175.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -55.02 -48.85 72.82 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 125.33 1.452 . . . . 0.0 111.976 170.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.417 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -62.76 -37.98 88.76 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.784 0.72 . . . . 0.0 112.772 -175.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.36 -51.54 65.46 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.352 1.061 . . . . 0.0 111.661 173.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -54.97 -53.27 57.82 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.635 -0.666 . . . . 0.0 111.597 173.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 78.4 mtt-85 -52.4 -40.42 62.08 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.716 1.206 . . . . 0.0 112.295 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 7.4 tmm? -60.27 -47.54 85.56 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.967 0.803 . . . . 0.0 112.004 173.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -61.94 -37.71 85.73 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.348 0.977 . . . . 0.0 113.575 -177.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.27 -35.5 15.26 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 178.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 63.3 m -71.1 -15.98 62.55 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.821 1.192 . . . . 0.0 113.181 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -142.32 79.45 15.74 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 125.171 1.389 . . . . 0.0 109.737 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -49.69 -28.02 16.37 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 123.958 3.105 . . . . 0.0 115.273 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.89 -32.09 8.34 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.947 1.699 . . . . 0.0 114.131 171.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.56 -18.11 58.85 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 177.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -60.71 -27.67 68.07 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 120.485 1.493 . . . . 0.0 114.202 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 13.9 t -57.31 -28.95 63.52 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 173.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -32.9 74.47 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -175.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 14.4 t80 5.22 77.55 0.05 OUTLIER Pre-proline 0 N--CA 1.48 1.031 0 C-N-CA 128.732 2.813 . . . . 0.0 114.548 172.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -64.15 -56.91 0.39 Allowed 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.109 1.872 . . . . 0.0 111.867 -172.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -169.36 10.06 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 126.548 1.939 . . . . 0.0 113.597 173.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.29 140.87 41.73 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 120.771 -1.205 . . . . 0.0 112.997 -167.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.14 -42.28 76.19 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 mt 47.07 26.45 0.63 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 126.035 1.734 . . . . 0.0 114.603 -172.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 62.2 m -74.45 28.14 0.08 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.162 2.185 . . . . 0.0 115.26 -175.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 74.4 t60 62.13 136.31 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.984 2.513 . . . . 0.0 113.949 -166.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.78 16.92 64.36 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.113 0.864 . . . . 0.0 114.907 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 48.8 m -55.48 112.04 1.03 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.884 2.074 . . . . 0.0 114.264 -170.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.69 -36.44 64.66 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -176.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.17 -35.78 81.9 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.511 -0.743 . . . . 0.0 112.753 175.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.97 -35.95 66.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 O-C-N 121.469 -0.769 . . . . 0.0 110.94 174.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -63.14 -48.97 76.21 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 119.236 0.925 . . . . 0.0 111.586 172.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.25 -52.64 48.14 Favored Glycine 0 N--CA 1.472 1.06 0 C-N-CA 124.232 0.92 . . . . 0.0 112.796 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -55.91 -43.56 77.43 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 117.828 0.814 . . . . 0.0 111.472 172.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.12 -50.53 55.14 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 124.353 0.978 . . . . 0.0 113.798 171.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -57.05 -41.5 78.8 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.146 1.473 . . . . 0.0 112.753 171.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -69.31 -44.92 70.77 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.805 0.729 . . . . 0.0 111.501 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 78.6 t -53.95 -48.0 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.309 1.043 . . . . 0.0 110.449 168.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.89 -46.73 88.13 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.71 -42.71 99.79 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.126 0.97 . . . . 0.0 111.363 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.01 -40.38 80.64 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.744 0.817 . . . . 0.0 112.893 169.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -44.14 85.34 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.55 -0.719 . . . . 0.0 111.7 172.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 65.4 m -57.6 -41.91 82.16 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.072 1.305 . . . . 0.0 112.013 172.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -58.32 -46.33 86.38 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.878 0.871 . . . . 0.0 111.444 170.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.65 -45.04 86.0 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 118.585 -0.722 . . . . 0.0 112.742 172.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 79.8 t -61.4 -45.09 99.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 120.104 1.32 . . . . 0.0 111.63 175.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.9 -23.91 66.74 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.003 1.321 . . . . 0.0 113.992 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -132.16 32.07 4.04 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.176 1.39 . . . . 0.0 111.671 -173.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.06 -18.83 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -164.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -102.52 -1.99 29.44 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.712 1.205 . . . . 0.0 114.019 173.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -127.74 -3.17 5.96 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 127.39 2.276 . . . . 0.0 113.096 -176.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 76' ' ' MET . . . . . 0.411 ' HA ' ' HB3' ' C' ' 79' ' ' ALA . 22.5 ptt? -62.17 -18.97 0.48 Allowed Pre-proline 0 CA--C 1.545 0.78 0 N-CA-C 118.323 2.712 . . . . 0.0 118.323 -178.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -43.22 -24.3 0.51 Allowed 'Trans proline' 0 C--N 1.362 1.286 0 C-N-CA 124.395 3.397 . . . . 0.0 118.063 174.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -118.32 -22.11 7.81 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 167.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 79' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' C' ' 76' ' ' MET . . . -63.52 -18.73 64.13 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 120.497 1.499 . . . . 0.0 114.925 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 54.1 mt -101.23 3.94 41.39 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.212 1.005 . . . . 0.0 113.204 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 31.4 t -56.85 -36.56 70.16 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 120.193 1.36 . . . . 0.0 114.523 -169.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.7 -34.03 72.36 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.072 -1.018 . . . . 0.0 112.547 173.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 9.5 mt -76.56 -41.28 47.07 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.027 0.931 . . . . 0.0 110.518 174.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 5.2 m -58.91 -40.5 84.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.403 0.547 . . . . 0.0 112.156 175.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.01 -50.46 73.3 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.139 0.976 . . . . 0.0 112.071 172.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tp -49.02 -56.34 9.26 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.751 0.82 . . . . 0.0 111.02 171.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -69.23 -42.99 74.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 118.406 -0.807 . . . . 0.0 112.437 -174.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.19 -14.12 59.27 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -124.51 -47.69 1.84 Allowed 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.633 1.106 . . . . 0.0 113.691 -172.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -65.44 -44.46 87.25 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-N 119.442 1.019 . . . . 0.0 113.141 -171.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 mp -130.52 1.68 4.53 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.723 1.209 . . . . 0.0 113.459 172.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.88 47.07 12.31 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 126.272 1.829 . . . . 0.0 112.776 -171.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 60.8 t -49.33 123.99 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 127.573 2.349 . . . . 0.0 111.376 -176.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -70.94 119.18 71.68 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 126.927 2.091 . . . . 0.0 112.672 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -46.23 -32.15 10.06 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 124.852 3.701 . . . . 0.0 116.412 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 96' ' ' VAL . . . . . 0.492 HG13 HD22 ' C' ' 97' ' ' ASN . 8.8 p -51.21 -38.71 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 O-C-N 120.717 -1.239 . . . . 0.0 112.753 172.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 97' ' ' ASN . . . . . 0.492 HD22 HG13 ' C' ' 96' ' ' VAL . 0.9 OUTLIER -61.17 -37.61 83.52 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.564 1.074 . . . . 0.0 111.598 178.568 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -43.17 87.71 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.128 172.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -55.02 -41.91 71.92 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.455 0.702 . . . . 0.0 110.348 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.48 -59.17 5.83 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.652 1.181 . . . . 0.0 110.764 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -30.16 71.17 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.557 -0.714 . . . . 0.0 112.221 -178.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 47.9 t -60.42 -51.23 70.36 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.43 1.492 . . . . 0.0 112.458 173.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -57.26 -42.14 81.01 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.713 -0.617 . . . . 0.0 111.065 171.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 104' ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 83.7 m -67.22 -34.83 78.3 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 178.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.87 -51.18 68.0 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.534 1.134 . . . . 0.0 110.077 170.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 5.7 mt -51.22 -44.82 61.75 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.373 0.669 . . . . 0.0 111.994 172.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.05 -48.3 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.718 0.807 . . . . 0.0 112.858 171.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.61 -36.29 83.31 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 120.171 1.35 . . . . 0.0 113.634 176.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.59 -47.14 82.69 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 120.076 1.307 . . . . 0.0 110.15 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.44 -39.06 56.64 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.326 1.05 . . . . 0.0 113.572 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.37 -11.85 60.36 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 116.512 2.041 . . . . 0.0 116.512 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -127.69 -27.05 2.88 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -171.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.67 179.17 2.03 Favored Pre-proline 0 CA--C 1.56 1.359 0 C-N-CA 124.348 1.059 . . . . 0.0 110.412 170.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -54.71 -147.23 0.0 OUTLIER 'Trans proline' 0 CA--C 1.551 1.335 1 C-N-CA 125.65 4.233 . . . . 0.0 115.14 164.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.01 50.58 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.488 1.915 . . . . 0.0 114.431 170.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -46.65 -34.49 5.09 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 128.676 2.79 . . . . 0.0 115.113 -164.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -73.43 48.91 0.26 Allowed 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 121.859 0.838 . . . . 0.0 112.012 165.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.1 164.54 34.94 Favored Pre-proline 0 N--CA 1.478 0.956 0 O-C-N 120.532 -1.355 . . . . 0.0 108.993 170.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -57.15 -55.08 2.84 Favored 'Trans proline' 0 C--N 1.346 0.435 0 CA-C-N 120.85 1.339 . . . . 0.0 112.049 172.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.74 -29.33 65.54 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -175.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 61.5 t -87.53 -43.26 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-O 118.448 -0.787 . . . . 0.0 111.021 -177.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -65.77 -53.35 41.65 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 120.089 1.313 . . . . 0.0 111.205 175.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.7 -1.67 7.49 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 16.3 t -92.85 -61.6 1.55 Allowed 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.975 0.91 . . . . 0.0 110.257 164.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.12 -37.95 84.61 Favored 'General case' 0 C--N 1.338 0.066 0 CA-C-O 117.866 -1.064 . . . . 0.0 113.85 -171.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.54 -51.21 70.82 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.955 1.252 . . . . 0.0 111.277 178.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -28.74 53.44 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -60.58 -57.19 13.78 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.44 1.018 . . . . 0.0 110.157 168.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.68 -38.0 86.18 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.87 0.759 . . . . 0.0 111.383 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.93 -44.48 82.53 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.736 1.153 . . . . 0.0 112.288 170.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 35.3 t -63.02 -42.4 99.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.165 0.893 . . . . 0.0 113.164 171.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 93.5 t -52.07 -49.98 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-O 118.345 -0.836 . . . . 0.0 109.559 171.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 33.3 t -58.52 -54.85 42.39 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-O 118.251 -0.881 . . . . 0.0 112.891 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 93.3 m -49.43 -35.49 19.4 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.784 1.175 . . . . 0.0 112.474 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 49.7 t -75.43 -50.38 24.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 124.219 1.007 . . . . 0.0 112.176 172.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -10.26 7.67 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.124 1.77 . . . . 0.0 114.601 175.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 38.6 p -119.55 2.23 11.2 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 127.002 2.121 . . . . 0.0 111.439 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 CA--C 1.54 0.576 0 C-N-CA 125.272 1.429 . . . . 0.0 112.71 170.342 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.305 2.4 p . . . . . 0 N--CA 1.505 2.322 0 CA-C-O 116.924 -1.512 . . . . 0.0 112.773 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 71.3 t60 22.79 77.07 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 127.633 2.373 . . . . 0.0 116.095 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.22 161.37 19.44 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.452 0.701 . . . . 0.0 110.854 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 6.5 p -67.56 157.75 84.89 Favored Pre-proline 0 N--CA 1.481 1.08 0 O-C-N 121.444 -0.785 . . . . 0.0 109.832 158.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -53.66 -38.98 84.84 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.456 2.104 . . . . 0.0 113.38 172.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -70.56 -42.94 70.46 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.508 1.123 . . . . 0.0 112.002 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -61.07 -43.0 99.54 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.516 -0.74 . . . . 0.0 111.387 170.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -60.22 -48.33 82.17 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.955 0.798 . . . . 0.0 110.868 176.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 51.1 m -55.23 -42.16 73.02 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 118.743 -0.646 . . . . 0.0 111.826 174.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.53 -56.58 20.33 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.16 0.891 . . . . 0.0 112.396 174.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.53 -52.96 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-N 119.5 1.045 . . . . 0.0 111.887 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -71.12 -34.2 70.83 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 119.117 0.872 . . . . 0.0 112.452 -170.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.91 -36.43 78.0 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 120.096 1.316 . . . . 0.0 112.347 173.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -68.17 -42.31 80.21 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.499 -0.75 . . . . 0.0 110.533 172.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -51.26 -44.24 61.73 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.607 0.763 . . . . 0.0 111.134 168.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.88 -12.59 15.38 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 127.055 2.264 . . . . 0.0 116.953 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.3 -2.07 7.56 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 119.479 1.639 . . . . 0.0 114.268 165.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.24 139.9 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 123.978 0.911 . . . . 0.0 111.894 -178.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -84.81 77.91 9.99 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.741 0.816 . . . . 0.0 109.555 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 57.8 t -48.89 -35.9 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 124.606 1.163 . . . . 0.0 113.584 -171.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -85.32 -5.09 59.34 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.806 2.042 . . . . 0.0 115.885 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -120.28 -52.84 2.15 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.018 1.327 . . . . 0.0 110.291 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.73 -32.51 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 O-C-N 121.169 -0.957 . . . . 0.0 111.949 172.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.86 -45.32 21.73 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-N 119.294 0.952 . . . . 0.0 112.136 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.89 -42.99 96.98 Favored Glycine 0 N--CA 1.469 0.88 0 CA-C-N 117.656 0.728 . . . . 0.0 112.24 172.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.96 -35.06 69.43 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-O 117.253 -1.356 . . . . 0.0 112.208 174.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.08 -48.85 78.88 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 122.137 2.244 . . . . 0.0 111.253 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 tp -71.7 -44.41 64.24 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 122.435 -0.166 . . . . 0.0 111.185 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.68 -49.29 77.93 Favored Glycine 0 N--CA 1.471 1.017 0 O-C-N 120.634 -1.291 . . . . 0.0 113.887 176.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -31.05 61.63 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 125.635 1.574 . . . . 0.0 112.182 175.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tt -77.84 -40.34 40.59 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.323 1.449 . . . . 0.0 112.911 171.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 53.2 mt -70.08 -34.54 73.31 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.675 -1.265 . . . . 0.0 110.649 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 22.4 m -75.82 -6.61 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.29 -4.72 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-N 121.149 1.795 . . . . 0.0 111.883 169.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 49.79 37.77 0.44 Allowed Pre-proline 0 CA--C 1.555 1.137 0 C-N-CA 125.725 1.61 . . . . 0.0 113.812 -166.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -81.86 178.16 6.74 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 122.075 1.85 . . . . 0.0 110.206 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -40.32 -35.53 0.43 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 176.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 38' ' ' THR . . . . . 0.416 HG22 ' CG ' ' D' ' 102' ' ' ASN . 23.7 p -54.75 -25.19 26.22 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.692 1.597 . . . . 0.0 114.408 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -46.44 -25.94 0.76 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.327 2.251 . . . . 0.0 115.068 173.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -51.02 -30.58 15.72 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 175.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -86.49 7.54 25.57 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -45.98 -39.84 9.57 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.887 1.675 . . . . 0.0 113.484 170.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.69 -22.42 57.16 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 174.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 16.7 t -97.35 -44.74 6.75 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.052 0.941 . . . . 0.0 112.21 173.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -61.75 -37.32 83.81 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.13 -106.11 2.95 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.556 1.074 . . . . 0.0 112.856 174.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.22 84.33 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.465 1.506 . . . . 0.0 112.624 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 tt -137.18 -19.03 1.28 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.911 1.685 . . . . 0.0 113.468 -174.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 8.7 t -54.84 -23.9 20.52 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.985 1.314 . . . . 0.0 114.381 -173.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 32.6 p -124.98 154.45 71.22 Favored Pre-proline 0 N--CA 1.472 0.664 0 C-N-CA 124.447 1.099 . . . . 0.0 111.371 167.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -56.0 -42.6 65.06 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.074 2.516 . . . . 0.0 114.057 173.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -61.02 -37.56 83.0 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.465 0.706 . . . . 0.0 111.744 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.39 -54.67 36.9 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.669 0.388 . . . . 0.0 111.079 170.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.84 -37.41 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -171.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -71.17 -27.28 63.41 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.396 0.998 . . . . 0.0 113.646 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.54 -0.99 59.13 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.315 0.96 . . . . 0.0 114.729 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -74.53 130.3 82.13 Favored Pre-proline 0 CA--C 1.556 1.196 0 C-N-CA 125.357 1.463 . . . . 0.0 112.935 -170.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -67.79 -37.4 16.05 Favored 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 123.749 2.966 . . . . 0.0 113.565 -177.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -66.14 -45.55 80.61 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.3 -0.875 . . . . 0.0 110.854 174.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 83.6 t -61.95 -46.51 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.848 0.859 . . . . 0.0 111.559 178.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -66.02 -38.45 88.46 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 119.624 1.102 . . . . 0.0 113.048 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.77 -45.07 91.43 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.42 1.009 . . . . 0.0 112.832 173.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -61.81 -36.13 80.22 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.258 -0.901 . . . . 0.0 111.084 173.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.41 -50.53 62.01 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 125.564 1.554 . . . . 0.0 114.154 166.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -58.71 -42.2 88.13 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.678 1.239 . . . . 0.0 111.573 173.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -63.15 -53.97 44.99 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.98 0.912 . . . . 0.0 112.641 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 18.0 m -57.66 -44.94 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 119.429 1.013 . . . . 0.0 111.089 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 tt -71.89 -35.68 69.81 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.468 -0.77 . . . . 0.0 112.301 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.58 -42.1 93.92 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.465 1.031 . . . . 0.0 112.294 170.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.35 -37.28 84.96 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 117.845 0.823 . . . . 0.0 113.109 171.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -60.62 -35.43 76.13 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.634 -1.291 . . . . 0.0 111.494 170.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -41.53 87.46 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.532 1.133 . . . . 0.0 113.169 171.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -57.39 -32.54 66.92 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.445 1.021 . . . . 0.0 111.911 170.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.23 -63.59 4.77 Favored Glycine 0 C--N 1.34 0.783 0 C-N-CA 123.807 0.717 . . . . 0.0 111.649 166.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 18.3 mt -51.65 -35.17 41.19 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -178.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.43 -28.42 61.97 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 176.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.92 49.26 1.48 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.148 1.779 . . . . 0.0 111.442 -169.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.27 -21.57 62.08 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.814 -1.179 . . . . 0.0 113.949 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.07 -19.79 65.49 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 174.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -97.79 -65.82 0.94 Allowed 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 118.976 0.807 . . . . 0.0 112.716 -175.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 46.16 18.01 0.05 OUTLIER 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -173.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -138.14 -66.14 0.5 Allowed 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.176 1.391 . . . . 0.0 111.327 176.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.15 -35.07 75.73 Favored Glycine 0 N--CA 1.48 1.625 0 CA-C-N 118.943 0.792 . . . . 0.0 113.98 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.2 p -68.0 -13.73 62.41 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.114 1.766 . . . . 0.0 114.938 173.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -128.87 -4.26 5.15 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.399 1.48 . . . . 0.0 113.972 -174.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.95 -40.83 70.38 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 120.232 1.378 . . . . 0.0 113.406 -173.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 25.2 p -64.59 -36.77 85.32 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.75 1.22 . . . . 0.0 112.885 173.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 72.4 mt -77.23 -36.97 54.2 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.121 0.968 . . . . 0.0 112.02 177.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 4.3 t -61.4 -44.57 96.91 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.464 1.106 . . . . 0.0 110.336 171.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.71 -49.24 78.5 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.212 -0.93 . . . . 0.0 112.463 170.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 48.0 tp -55.84 -53.94 50.63 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.382 0.992 . . . . 0.0 112.002 177.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -82.51 -19.95 37.71 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -171.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 49.1 t -90.64 -64.59 1.11 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.712 0.805 . . . . 0.0 112.107 169.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -75.94 -40.39 54.18 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.609 -1.307 . . . . 0.0 113.299 -169.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.5 -41.4 21.78 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 56.2 mt -114.68 -24.22 8.85 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -171.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 34.09 46.97 0.17 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.852 2.461 . . . . 0.0 114.863 -169.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.43 150.2 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 120.947 -1.096 . . . . 0.0 110.692 -178.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -64.5 141.32 98.2 Favored Pre-proline 0 CA--C 1.55 0.979 0 O-C-N 121.426 -0.796 . . . . 0.0 112.749 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.54 -28.95 44.94 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.676 2.25 . . . . 0.0 114.1 -171.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -67.33 -27.54 67.23 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.898 -1.126 . . . . 0.0 112.62 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 102' ' ' ASN . . . . . 0.416 ' CG ' HG22 ' D' ' 38' ' ' THR . 49.4 t-20 -55.35 -50.06 70.64 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.133 1.373 . . . . 0.0 112.535 173.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -59.2 -46.53 88.19 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.724 1.209 . . . . 0.0 111.35 177.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -60.18 -45.37 93.35 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.76 0.824 . . . . 0.0 111.611 176.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 6.1 mp -61.0 -46.36 91.07 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 118.442 -0.79 . . . . 0.0 112.072 175.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.87 -41.21 77.58 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.779 1.172 . . . . 0.0 109.908 176.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 107' ' ' GLY . . . . . 0.489 ' CA ' HG11 ' D' ' 134' ' ' VAL . . . -57.06 -56.73 23.47 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 114.908 0.723 . . . . 0.0 114.908 173.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.59 -40.03 90.23 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 118.161 0.98 . . . . 0.0 111.119 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 98.2 t -67.06 -36.33 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 O-C-N 121.123 -0.986 . . . . 0.0 111.654 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 14.1 tp -54.49 -54.71 37.4 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.754 1.161 . . . . 0.0 110.559 174.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 33.1 m -61.07 -29.36 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-N 118.821 0.737 . . . . 0.0 112.823 178.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 83.1 m -71.36 -46.73 59.72 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 174.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 12.7 p -65.46 -36.83 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 119.841 1.201 . . . . 0.0 111.563 174.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 66.5 mt -58.44 -47.77 82.89 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.641 1.11 . . . . 0.0 110.743 171.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.11 -35.07 77.59 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 175.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -65.46 -59.01 4.45 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.7 1.136 . . . . 0.0 111.984 169.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -65.41 -22.04 66.73 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -168.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -131.37 43.39 3.08 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.195 1.798 . . . . 0.0 111.134 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.06 -32.51 35.29 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.06 1.314 . . . . 0.0 116.264 -177.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -71.47 -8.84 56.47 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 118.823 1.312 . . . . 0.0 114.39 173.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -130.39 5.14 4.77 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.137 1.775 . . . . 0.0 113.22 -170.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.42 33.51 0.05 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 -168.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 17.2 p -44.07 148.74 0.76 Allowed Pre-proline 0 N--CA 1.484 1.237 0 C-N-CA 124.998 1.319 . . . . 0.0 114.042 -167.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -45.81 -48.06 12.96 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 121.933 1.755 . . . . 0.0 114.459 174.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.19 -29.66 55.54 Favored 'Trans proline' 0 C--N 1.353 0.789 0 CA-C-O 116.948 -1.355 . . . . 0.0 113.913 174.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.74 -40.24 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 122.542 2.428 . . . . 0.0 112.493 177.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -60.76 -54.17 48.5 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.011 0.525 . . . . 0.0 110.026 172.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.06 -37.13 83.82 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 113.321 0.859 . . . . 0.0 113.321 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.23 -52.78 52.37 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.537 1.135 . . . . 0.0 111.553 -178.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -56.78 -47.28 80.51 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.85 -0.531 . . . . 0.0 111.058 169.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -56.66 -40.35 75.32 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.889 0.768 . . . . 0.0 112.764 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -71.06 -33.76 70.57 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.009 1.277 . . . . 0.0 113.699 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.15 -51.0 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-N 119.745 1.157 . . . . 0.0 109.787 168.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 134' ' ' VAL . . . . . 0.489 HG11 ' CA ' ' D' ' 107' ' ' GLY . 11.7 t -61.93 -43.51 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 C-N-CA 125.834 1.653 . . . . 0.0 112.832 -176.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.0 97.97 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.389 0.995 . . . . 0.0 111.657 175.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.24 -44.76 89.16 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 123.426 0.536 . . . . 0.0 112.562 168.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.63 -44.3 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.732 1.213 . . . . 0.0 113.303 175.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.7 94.07 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.061 0.846 . . . . 0.0 110.696 176.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -61.52 -39.93 92.81 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.169 0.588 . . . . 0.0 112.243 175.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.57 -45.25 91.32 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.163 0.985 . . . . 0.0 112.579 173.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.81 -24.39 63.47 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.625 -1.297 . . . . 0.0 112.374 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.49 -11.87 59.95 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 167.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -57.07 -43.72 82.37 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.036 -1.665 . . . . 0.0 113.42 -173.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -65.38 -7.75 15.25 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.043 1.498 . . . . 0.0 115.043 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -67.7 -18.05 64.78 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.365 1.439 . . . . 0.0 112.287 175.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 34.0 m80 . . . . . 0 C--O 1.251 1.175 0 C-N-CA 125.411 1.485 . . . . 0.0 112.951 -162.494 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.519 2.979 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.2 mt -148.47 -167.28 2.77 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 126.37 1.868 . . . . 0.0 110.999 -170.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.36 152.35 64.24 Favored Pre-proline 0 N--CA 1.487 1.386 0 CA-C-N 119.992 1.269 . . . . 0.0 112.966 -175.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -67.6 -50.34 0.94 Allowed 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.399 2.733 . . . . 0.0 112.748 -174.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.38 87.27 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 122.734 0.414 . . . . 0.0 111.222 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -53.57 55.91 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 124.304 1.042 . . . . 0.0 113.17 178.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -55.29 -46.58 76.19 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.376 173.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.9 m -56.02 -45.19 79.21 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.981 1.264 . . . . 0.0 112.718 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -62.78 -42.23 99.6 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.242 -0.912 . . . . 0.0 112.248 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.6 t -73.71 -37.99 50.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-O 118.498 -0.763 . . . . 0.0 111.458 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -56.08 -48.09 76.75 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.518 1.054 . . . . 0.0 110.948 167.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.76 -51.96 67.52 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.119 0.568 . . . . 0.0 111.793 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.18 -54.1 47.59 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.547 0.739 . . . . 0.0 111.702 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -62.35 -26.97 68.74 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.71 -42.67 97.1 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.792 1.187 . . . . 0.0 113.421 170.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -70.22 -37.03 74.93 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 118.547 1.173 . . . . 0.0 111.034 173.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.36 -50.71 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.862 1.265 . . . . 0.0 111.234 175.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.71 -134.01 11.32 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 123.977 0.799 . . . . 0.0 114.047 176.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.68 -22.29 56.75 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -70.88 -8.88 55.98 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -46.96 -49.74 20.17 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.177 0.899 . . . . 0.0 112.552 177.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.98 -38.45 95.49 Favored Glycine 0 C--N 1.339 0.731 0 CA-C-O 119.125 -0.819 . . . . 0.0 113.892 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -66.25 -42.94 87.87 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.492 1.146 . . . . 0.0 111.074 174.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -62.92 -37.13 85.74 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.204 -0.935 . . . . 0.0 112.056 174.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.93 -46.87 92.67 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-N 118.851 0.751 . . . . 0.0 112.656 170.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.2 -45.8 86.74 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.354 1.077 . . . . 0.0 112.227 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -60.11 -41.72 93.19 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.861 0.864 . . . . 0.0 111.283 172.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.475 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -63.68 -40.91 98.0 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 178.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.42 -52.14 64.72 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.131 0.972 . . . . 0.0 111.442 171.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -60.05 -42.27 94.11 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.095 0.862 . . . . 0.0 112.946 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -59.76 -45.0 93.59 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 118.557 -0.735 . . . . 0.0 111.064 172.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.3 tmm? -59.56 -47.74 84.38 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.46 1.027 . . . . 0.0 111.709 175.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -58.44 -41.35 84.88 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.44 -36.47 29.36 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 118.832 0.742 . . . . 0.0 112.311 178.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 t -71.2 -33.92 70.38 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.758 0.823 . . . . 0.0 112.77 -175.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -128.12 85.83 59.56 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.801 1.64 . . . . 0.0 108.769 176.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.46 -18.73 5.96 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 123.742 2.961 . . . . 0.0 114.675 173.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.56 -21.41 2.5 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.236 2.214 . . . . 0.0 115.124 165.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.6 p -86.34 -20.49 28.24 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.864 1.211 . . . . 0.0 113.228 174.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -54.05 -38.35 65.14 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.427 1.091 . . . . 0.0 113.154 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 t -53.54 -30.64 42.79 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 178.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -58.45 -32.44 68.72 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 118.069 -0.967 . . . . 0.0 113.091 176.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.5 t80 11.25 67.99 0.09 OUTLIER Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 129.201 3.0 . . . . 0.0 114.984 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -80.88 38.2 0.74 Allowed 'Trans proline' 0 CA--C 1.548 1.183 0 C-N-CA 123.589 2.859 . . . . 0.0 113.774 -158.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.296 0.7 OUTLIER 92.57 8.04 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.414 1 C-N-CA 131.815 4.046 . . . . 0.0 113.672 -170.311 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -71.52 -177.7 1.93 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.051 1.74 . . . . 0.0 114.584 -175.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -130.03 -41.95 1.26 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.14 0.976 . . . . 0.0 113.585 -173.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.4 mt 54.58 17.56 1.7 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 126.851 2.06 . . . . 0.0 116.089 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.7 m -72.73 21.29 0.07 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 126.671 1.989 . . . . 0.0 115.804 -176.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 63.39 142.16 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.804 2.442 . . . . 0.0 112.91 -164.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.15 20.99 73.54 Favored Glycine 0 CA--C 1.54 1.61 0 O-C-N 121.08 -1.012 . . . . 0.0 115.112 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.5 t -62.91 114.5 3.69 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 118.506 1.153 . . . . 0.0 113.248 -176.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.3 -33.86 63.64 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.655 1.182 . . . . 0.0 112.746 171.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -67.41 -41.18 85.32 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.31 1.044 . . . . 0.0 111.314 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.19 -38.0 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.682 -0.636 . . . . 0.0 111.462 172.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -62.19 -48.48 79.87 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 119.311 0.959 . . . . 0.0 111.174 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.17 -44.3 98.31 Favored Glycine 0 N--CA 1.472 1.053 0 C-N-CA 124.281 0.943 . . . . 0.0 113.121 177.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -61.0 -42.77 99.08 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.502 -0.999 . . . . 0.0 111.782 173.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.36 -48.53 83.28 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 124.197 0.903 . . . . 0.0 113.204 172.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -55.25 -40.88 71.45 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.239 1.015 . . . . 0.0 112.164 172.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -65.24 -51.4 61.13 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 173.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.7 t -55.65 -43.21 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-N 120.372 1.442 . . . . 0.0 111.046 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.431 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -63.52 -51.0 67.37 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 176.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -61.84 -29.93 70.51 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.489 -0.757 . . . . 0.0 112.046 176.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.89 -36.04 81.39 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.133 -0.979 . . . . 0.0 113.226 168.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.57 -39.16 88.34 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.354 0.979 . . . . 0.0 111.696 168.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.1 m -58.72 -48.72 80.18 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.915 1.234 . . . . 0.0 111.725 169.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -61.1 -37.99 84.71 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.9 1.68 . . . . 0.0 112.919 175.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.01 -61.0 2.87 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.147 0.885 . . . . 0.0 110.129 165.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.0 t -51.47 -37.42 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.067 1.347 . . . . 0.0 113.095 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.99 -26.59 65.1 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -134.94 15.95 3.55 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.817 1.247 . . . . 0.0 113.346 -169.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.5 p -60.24 -30.1 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.056 1.342 . . . . 0.0 114.488 -165.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -61.07 -16.31 42.4 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.755 1.222 . . . . 0.0 113.737 172.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -136.94 28.13 2.9 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 128.317 2.647 . . . . 0.0 110.947 -176.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.5 ttp -50.94 -36.41 24.65 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 116.717 2.118 . . . . 0.0 116.717 -173.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -64.39 36.42 0.1 Allowed 'Trans proline' 0 CA--C 1.557 1.655 0 C-N-CA 124.918 3.745 . . . . 0.0 116.56 170.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -145.75 -40.96 0.22 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.305 2.242 . . . . 0.0 110.543 162.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.69 -29.2 69.93 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.9 mt -100.12 0.67 41.12 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -55.73 -41.2 73.53 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -171.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.5 -28.48 67.08 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.146 0.885 . . . . 0.0 113.243 175.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.7 mt -83.95 -42.31 16.41 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.603 1.161 . . . . 0.0 110.288 -178.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.7 m -55.16 -40.29 70.49 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 122.717 0.407 . . . . 0.0 111.284 166.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -51.41 70.18 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.041 0.936 . . . . 0.0 111.627 174.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -45.19 90.23 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.201 -0.937 . . . . 0.0 111.261 175.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.19 -26.53 68.4 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.199 1.0 . . . . 0.0 113.237 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.81 -17.45 16.21 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.979 1.312 . . . . 0.0 114.502 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -131.0 -35.25 1.41 Allowed 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.278 1.585 . . . . 0.0 115.278 -171.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -65.23 -46.29 81.21 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 120.473 1.488 . . . . 0.0 109.821 173.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.98 -132.9 0.05 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.491 2.317 . . . . 0.0 108.189 172.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.84 54.88 0.83 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.402 1.081 . . . . 0.0 113.477 -166.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 76.4 t -52.42 103.09 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 124.146 0.978 . . . . 0.0 112.474 -172.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.01 134.15 89.79 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 123.515 0.726 . . . . 0.0 112.216 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -48.43 -33.1 22.04 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 125.165 3.91 . . . . 0.0 116.585 -176.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.2 p -47.04 -39.36 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.02 0.928 . . . . 0.0 113.049 173.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -73.53 -28.69 62.02 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.34 -0.85 . . . . 0.0 112.181 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -60.95 -48.77 80.3 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 119.062 0.846 . . . . 0.0 109.712 167.266 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -55.23 -45.92 75.97 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.707 0.685 . . . . 0.0 110.581 -177.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 64.2 mt -58.45 -62.97 1.45 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.7 1.2 . . . . 0.0 110.904 173.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.8 tp -52.11 -46.01 65.14 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.687 0.795 . . . . 0.0 112.776 -178.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.1 t -56.3 -51.25 68.89 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.522 1.129 . . . . 0.0 111.8 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -60.24 -45.65 92.5 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.887 -0.508 . . . . 0.0 111.21 175.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.475 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 59.6 m -59.07 -40.57 85.6 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.741 -0.6 . . . . 0.0 112.324 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 64.6 mt -64.38 -46.06 85.0 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.872 0.869 . . . . 0.0 111.478 175.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.2 mt -55.95 -45.04 78.97 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.475 -0.766 . . . . 0.0 111.194 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 20.1 t -59.69 -46.6 93.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 124.583 1.153 . . . . 0.0 112.573 176.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.5 p -66.64 -42.76 86.23 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.728 1.149 . . . . 0.0 111.787 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.04 -45.48 90.64 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.47 1.032 . . . . 0.0 110.787 175.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.23 -27.61 55.5 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.82 -12.03 60.01 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -128.34 -17.48 4.22 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -170.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -111.94 130.66 23.0 Favored Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 124.308 1.043 . . . . 0.0 109.427 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -47.47 -47.55 17.54 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 124.795 3.663 . . . . 0.0 117.632 -158.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.459 ' HA ' ' CE2' ' A' ' 117' ' ' PHE . . . -134.28 18.31 3.7 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 124.288 1.035 . . . . 0.0 112.164 -178.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -16.69 5.69 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 117.11 2.263 . . . . 0.0 117.11 -155.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.459 ' CE2' ' HA ' ' A' ' 115' ' ' ALA . 26.7 p90 -66.35 11.96 0.08 Allowed 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 126.514 1.926 . . . . 0.0 113.349 162.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -54.93 162.67 1.76 Allowed Pre-proline 0 N--CA 1.48 1.055 0 C-N-CA 126.189 1.796 . . . . 0.0 112.549 -176.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -52.22 -50.25 14.63 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.646 2.231 . . . . 0.0 113.315 172.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -67.56 -60.28 2.68 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.61 -35.13 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 120.677 -1.264 . . . . 0.0 112.827 -167.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -79.14 -45.3 20.26 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.876 1.216 . . . . 0.0 113.544 176.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.94 -48.45 73.14 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 120.291 1.405 . . . . 0.0 110.199 173.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.1 m -59.93 -57.0 14.78 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.576 1.151 . . . . 0.0 111.652 177.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 28.0 mt -58.31 -42.36 86.52 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 121.471 1.942 . . . . 0.0 113.534 177.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -60.06 -52.46 65.27 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.916 1.235 . . . . 0.0 111.67 177.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -27.75 63.64 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -68.12 -49.57 60.27 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.116 1.366 . . . . 0.0 110.642 172.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -59.79 -39.33 84.59 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.012 0.824 . . . . 0.0 111.196 172.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.57 -33.8 75.69 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 171.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 36.8 t -71.43 -45.12 63.5 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.539 -1.35 . . . . 0.0 112.27 170.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.7 t -51.98 -54.98 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 123.879 0.872 . . . . 0.0 109.436 173.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 96.1 p -64.09 -42.64 96.87 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 119.264 0.938 . . . . 0.0 113.151 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.5 m -49.82 -47.78 51.23 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.462 1.028 . . . . 0.0 110.923 171.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 90.3 t -71.21 -44.47 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 O-C-N 121.173 -0.954 . . . . 0.0 111.206 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -16.48 64.02 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.4 t -101.2 -17.27 16.7 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.29 1.436 . . . . 0.0 112.4 172.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.6 t . . . . . 0 CA--C 1.542 0.64 0 C-N-CA 124.143 0.977 . . . . 0.0 112.108 166.905 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.34 2.2 p . . . . . 0 N--CA 1.515 2.808 0 CA-C-O 116.859 -1.543 . . . . 0.0 113.206 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 5.1 m170 40.08 77.73 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 120.493 1.497 . . . . 0.0 113.69 -173.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.0 mt -58.41 114.51 2.47 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.156 -0.965 . . . . 0.0 109.709 170.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.63 134.26 82.46 Favored Pre-proline 0 N--CA 1.471 0.583 0 C-N-CA 126.189 1.796 . . . . 0.0 109.042 174.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -49.43 -42.73 40.71 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.068 2.512 . . . . 0.0 116.386 -168.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.77 -40.56 88.25 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.546 -0.721 . . . . 0.0 111.923 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.41 -44.72 82.19 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.022 0.929 . . . . 0.0 111.51 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -43.19 82.88 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.855 1.207 . . . . 0.0 111.593 171.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t -57.67 -45.97 84.88 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.491 1.042 . . . . 0.0 110.745 173.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.91 -59.47 5.19 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 121.619 -0.676 . . . . 0.0 112.731 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.49 HG23 ' CE2' ' B' ' 130' ' ' TYR . 2.6 p -63.63 -46.32 95.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 CA-C-N 119.751 1.16 . . . . 0.0 112.537 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -75.48 -31.83 60.37 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.246 0.93 . . . . 0.0 112.044 -172.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.67 -36.99 83.85 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 120.634 1.561 . . . . 0.0 111.987 171.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -32.71 70.57 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.57 -0.706 . . . . 0.0 111.616 173.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -60.75 -43.99 97.27 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.468 -0.77 . . . . 0.0 112.134 165.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.37 -32.05 57.35 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.758 1.647 . . . . 0.0 115.35 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -95.55 -13.01 24.8 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 174.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.95 132.25 27.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.563 1.145 . . . . 0.0 111.525 -175.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -82.87 91.74 7.15 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.668 0.787 . . . . 0.0 109.178 172.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 90.5 t -54.76 -36.87 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 CA-C-N 119.408 1.004 . . . . 0.0 113.57 -171.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -63.41 -54.59 34.23 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.873 0.761 . . . . 0.0 112.82 172.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.79 -55.97 5.93 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 119.337 -0.364 . . . . 0.0 110.183 -175.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -27.43 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 119.183 0.901 . . . . 0.0 112.834 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.92 -46.68 13.1 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-N 119.012 0.824 . . . . 0.0 112.248 175.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.0 -41.23 99.94 Favored Glycine 0 N--CA 1.469 0.872 0 CA-C-N 118.297 1.048 . . . . 0.0 112.759 171.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -54.48 -65.77 0.52 Allowed 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 125.052 1.341 . . . . 0.0 109.645 167.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.446 ' HA ' HG11 ' B' ' 113' ' ' VAL . . . -54.51 -52.06 63.15 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 121.037 1.744 . . . . 0.0 113.474 -176.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 tp -70.95 -39.81 72.36 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.445 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.0 -43.35 99.29 Favored Glycine 0 N--CA 1.468 0.773 0 CA-C-N 119.777 1.171 . . . . 0.0 111.728 171.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -40.67 57.34 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.583 1.553 . . . . 0.0 111.41 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' B' ' 106' ' ' LEU . 26.0 tp -49.79 -40.74 42.54 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.713 0.805 . . . . 0.0 111.873 176.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.77 -29.8 19.51 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 122.014 -0.429 . . . . 0.0 110.797 -176.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 1.4 m -67.44 -18.25 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 177.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.8 2.42 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 119.656 1.116 . . . . 0.0 113.413 168.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.61 39.25 0.6 Allowed Pre-proline 0 CA--C 1.563 1.463 0 C-N-CA 126.249 1.819 . . . . 0.0 114.777 -173.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -83.75 158.43 14.05 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.235 1.957 . . . . 0.0 111.736 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 33.1 p90 -48.42 -36.12 14.18 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.01 0.924 . . . . 0.0 113.125 172.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 2.4 m -49.74 -30.87 10.2 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.888 1.675 . . . . 0.0 114.215 177.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -58.55 -28.26 65.32 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -30.18 69.95 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.535 0.734 . . . . 0.0 112.412 -177.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -87.53 -4.5 58.98 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 176.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -89.72 8.7 30.33 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.884 0.874 . . . . 0.0 112.896 175.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -53.76 -31.69 49.55 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.428 -1.42 . . . . 0.0 113.347 170.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 46.9 p -59.35 -22.63 61.61 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.94 1.296 . . . . 0.0 114.33 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -79.5 -11.41 59.9 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.973 1.309 . . . . 0.0 112.991 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.52 -173.58 11.8 Favored Glycine 0 CA--C 1.537 1.419 0 CA-C-N 119.219 0.918 . . . . 0.0 113.515 -170.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 45.68 -124.29 1.2 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.463 1.105 . . . . 0.0 111.073 -170.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 tt 64.74 -22.03 0.08 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 127.407 2.283 . . . . 0.0 116.172 172.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -50.75 -29.74 12.22 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 127.663 2.385 . . . . 0.0 113.729 173.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 11.0 p -127.66 155.0 77.79 Favored Pre-proline 0 N--CA 1.473 0.675 0 C-N-CA 124.408 1.083 . . . . 0.0 109.513 161.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -70.3 -33.16 15.04 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.125 1.216 . . . . 0.0 113.413 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -58.74 -38.87 79.34 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.955 0.798 . . . . 0.0 110.612 172.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.65 -43.94 92.02 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 118.317 -0.849 . . . . 0.0 112.127 171.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -34.27 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 CA-C-N 121.218 1.826 . . . . 0.0 113.213 177.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 2.0 ttm -74.46 -34.71 63.23 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.859 0.864 . . . . 0.0 113.112 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.4 -31.76 36.61 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 123.757 0.694 . . . . 0.0 114.301 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -49.67 116.4 6.03 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 126.106 1.763 . . . . 0.0 113.606 -171.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -62.53 -26.86 76.35 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.741 2.294 . . . . 0.0 113.292 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -65.76 -43.24 89.47 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.506 1.048 . . . . 0.0 112.165 174.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 26.5 t -69.97 -35.26 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 O-C-N 121.487 -0.758 . . . . 0.0 111.392 174.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -63.04 -51.9 64.92 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 119.793 1.179 . . . . 0.0 112.217 171.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.39 -46.66 88.06 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.299 1.04 . . . . 0.0 112.604 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -68.05 -35.39 78.16 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.936 -1.103 . . . . 0.0 112.425 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.73 -46.21 83.26 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.907 1.241 . . . . 0.0 112.819 169.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.86 -42.25 79.43 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.268 1.034 . . . . 0.0 111.845 169.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -66.08 -49.64 66.89 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.17 0.895 . . . . 0.0 113.258 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 4.6 m -62.66 -39.84 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 120.047 1.294 . . . . 0.0 111.718 175.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 tt -71.19 -36.67 72.03 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 120.715 -1.241 . . . . 0.0 112.213 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.78 -35.72 76.02 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.616 1.103 . . . . 0.0 113.049 168.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.41 -45.67 75.45 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.268 -1.136 . . . . 0.0 112.453 168.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -57.88 -37.79 74.6 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 120.398 -1.439 . . . . 0.0 112.915 172.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 38.4 p -73.25 -36.73 66.45 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.474 1.034 . . . . 0.0 113.435 176.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -55.46 -35.58 65.65 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.361 0.982 . . . . 0.0 111.239 165.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.12 -63.64 5.11 Favored Glycine 0 C--N 1.34 0.802 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 167.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mt -54.01 -21.24 7.77 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 177.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.5 -20.87 22.2 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.719 1.608 . . . . 0.0 114.889 175.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -139.71 41.96 2.0 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.342 1.457 . . . . 0.0 113.257 -171.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.92 -11.52 28.82 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 177.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -4.88 42.76 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.93 0.892 . . . . 0.0 113.31 171.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.38 -63.41 1.39 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -171.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 51.03 -13.46 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 128.51 2.724 . . . . 0.0 118.266 -171.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -119.62 -57.54 1.97 Allowed 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 120.731 1.605 . . . . 0.0 111.153 -178.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.23 -39.41 94.54 Favored Glycine 0 CA--C 1.537 1.458 0 CA-C-N 118.811 0.732 . . . . 0.0 114.061 176.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 3.2 t -71.85 -18.89 62.04 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -121.48 5.76 10.12 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.49 1.292 . . . . 0.0 114.49 -175.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.02 -39.8 69.51 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 120.803 1.638 . . . . 0.0 113.409 -173.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 17.0 p -63.81 -44.07 94.38 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.813 1.245 . . . . 0.0 112.654 173.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 20.9 mt -68.25 -39.45 82.25 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.584 -0.697 . . . . 0.0 111.896 175.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -63.44 -38.52 91.45 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.249 1.02 . . . . 0.0 111.682 175.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -64.9 -49.82 68.98 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.162 -0.962 . . . . 0.0 112.047 170.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 12.4 tp -50.64 -54.69 20.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.094 0.958 . . . . 0.0 111.363 173.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -74.62 10.95 1.14 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.79 1.236 . . . . 0.0 114.209 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 41.9 t -130.55 -58.64 1.04 Allowed 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.951 -1.093 . . . . 0.0 111.715 174.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.64 -40.01 70.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.172 0.989 . . . . 0.0 113.005 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -41.55 15.97 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.39 0.676 . . . . 0.0 112.36 178.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.93 82.07 1.44 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.633 1.573 . . . . 0.0 111.551 -176.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -66.09 28.81 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 126.946 2.098 . . . . 0.0 115.127 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 76.2 t -51.41 145.29 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 128.044 2.537 . . . . 0.0 112.377 -173.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -56.88 131.94 79.31 Favored Pre-proline 0 CA--C 1.553 1.059 0 O-C-N 121.469 -0.769 . . . . 0.0 112.914 -178.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -49.73 -30.03 21.54 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 124.018 3.145 . . . . 0.0 115.558 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -42.64 -46.4 4.99 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.399 1.479 . . . . 0.0 113.976 169.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -65.19 -31.71 73.03 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.27 -0.894 . . . . 0.0 112.77 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -67.1 -45.77 76.23 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.936 0.895 . . . . 0.0 110.117 176.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -63.05 -38.31 90.66 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 119.365 -0.35 . . . . 0.0 111.696 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 13.7 mt -60.47 -48.49 81.51 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.071 0.949 . . . . 0.0 112.755 172.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.406 ' HA ' HD13 ' B' ' 31' ' ' LEU . 1.4 tt -56.99 -42.36 80.12 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 118.773 0.715 . . . . 0.0 110.952 174.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.35 -63.73 5.02 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 124.475 1.035 . . . . 0.0 114.04 172.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -44.71 -49.31 10.56 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.159 1.783 . . . . 0.0 110.792 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 36.9 t -59.74 -52.36 61.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 123.636 0.774 . . . . 0.0 112.223 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 58.7 tp -56.33 -51.9 66.55 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.724 1.147 . . . . 0.0 110.946 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.429 HG12 ' HB3' ' B' ' 130' ' ' TYR . 1.4 m -62.69 -31.78 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.915 -179.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 21.9 t -65.82 -42.82 90.13 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.218 0.463 . . . . 0.0 111.88 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . 0.446 HG11 ' HA ' ' B' ' 27' ' ' ALA 0.262 1.7 m -68.95 -37.32 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 120.678 -1.264 . . . . 0.0 112.614 -178.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.78 -36.46 83.96 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.53 -0.731 . . . . 0.0 110.943 172.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.08 69.55 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 172.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . 0.451 ' CG ' ' CE2' ' A' ' 117' ' ' PHE . 0.9 OUTLIER -77.74 -50.0 13.28 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.649 1.113 . . . . 0.0 112.216 172.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.96 -19.24 61.92 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -167.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -128.93 41.27 3.51 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.231 1.813 . . . . 0.0 110.04 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -54.61 -22.86 26.45 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 126.022 1.772 . . . . 0.0 116.114 -177.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -79.63 -8.73 59.38 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.849 1.324 . . . . 0.0 113.744 173.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -128.73 3.94 5.48 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 127.484 2.314 . . . . 0.0 112.586 -172.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.11 27.03 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 127.081 2.152 . . . . 0.0 116.125 -171.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 29.1 p -46.31 144.34 3.27 Favored Pre-proline 0 N--CA 1.48 1.065 0 O-C-N 120.566 -1.334 . . . . 0.0 113.562 -165.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -40.47 -45.96 4.46 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 C-N-CA 123.402 2.734 . . . . 0.0 116.102 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.69 -27.23 27.07 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.696 1.597 . . . . 0.0 115.057 173.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -44.75 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 121.998 2.181 . . . . 0.0 111.85 174.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -73.73 -28.25 61.61 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 118.215 -0.898 . . . . 0.0 112.41 175.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.37 -48.31 67.81 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.853 1.66 . . . . 0.0 111.769 170.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.56 81.15 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 124.944 1.297 . . . . 0.0 111.369 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.49 ' CE2' HG23 ' B' ' 11' ' ' VAL . 1.0 OUTLIER -54.52 -51.47 65.06 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 118.571 -0.728 . . . . 0.0 111.535 170.785 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.13 -36.15 74.71 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.745 1.157 . . . . 0.0 112.975 178.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -66.83 -44.01 82.24 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.764 1.166 . . . . 0.0 112.833 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.82 -39.83 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.133 -0.98 . . . . 0.0 112.416 172.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 19.9 t -60.75 -42.25 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.665 1.186 . . . . 0.0 112.058 176.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.04 96.42 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.616 1.166 . . . . 0.0 111.806 174.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -54.52 -49.85 59.28 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.733 -0.482 . . . . 0.0 112.148 169.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 3.7 t -58.28 -47.87 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 117.946 0.873 . . . . 0.0 112.191 172.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.82 -47.67 79.75 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 120.28 1.4 . . . . 0.0 111.908 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -66.52 -35.95 81.51 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.744 -0.597 . . . . 0.0 112.259 176.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.5 79.44 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.015 -1.053 . . . . 0.0 112.561 173.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.17 -27.99 66.89 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.119 -0.988 . . . . 0.0 111.812 177.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . 0.489 ' HA ' ' CE1' ' B' ' 145' ' ' TYR . . . -77.56 -6.7 54.59 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.83 1.418 . . . . 0.0 114.83 168.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -62.7 -42.24 99.53 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 119.706 -1.871 . . . . 0.0 113.041 -167.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.6 -9.43 3.82 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.404 1.481 . . . . 0.0 114.872 176.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 145' ' ' TYR . . . . . 0.489 ' CE1' ' HA ' ' B' ' 142' ' ' ALA . 1.7 m-30 . . . . . 0 CA--C 1.546 0.791 0 CA-C-N 119.456 1.025 . . . . 0.0 111.639 -177.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.518 2.934 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 21.8 mt -148.52 -167.24 2.76 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 126.287 1.835 . . . . 0.0 110.929 -170.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.3 152.41 64.12 Favored Pre-proline 0 N--CA 1.486 1.359 0 CA-C-N 119.989 1.268 . . . . 0.0 113.014 -175.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -67.68 -50.17 0.96 Allowed 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.229 2.619 . . . . 0.0 112.806 -174.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.35 87.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 122.856 0.463 . . . . 0.0 111.11 175.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -53.69 54.5 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.268 1.027 . . . . 0.0 113.154 178.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -55.23 -46.58 75.98 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-O 118.137 -0.935 . . . . 0.0 111.392 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 54.2 m -56.03 -45.21 79.23 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.988 1.267 . . . . 0.0 112.638 175.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -62.8 -42.22 99.62 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.111 0.869 . . . . 0.0 112.204 177.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 81.7 t -73.75 -38.0 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 118.558 -0.734 . . . . 0.0 111.379 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -56.05 -48.18 76.51 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.48 1.036 . . . . 0.0 110.94 167.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.82 -51.92 67.68 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.188 0.595 . . . . 0.0 111.673 177.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.13 -54.12 47.29 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.493 0.717 . . . . 0.0 111.69 176.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -62.3 -26.96 68.71 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.89 -42.5 96.91 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.677 1.132 . . . . 0.0 113.464 170.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -70.41 -36.92 74.33 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 118.577 1.189 . . . . 0.0 111.012 173.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 53.6 t -57.35 -50.78 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 124.957 1.303 . . . . 0.0 111.179 175.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.75 -134.0 11.42 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 123.939 0.781 . . . . 0.0 114.054 176.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.71 -22.42 57.39 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -70.72 -8.71 54.16 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 175.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.436 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -47.08 -49.73 21.13 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.247 0.93 . . . . 0.0 112.581 177.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.86 -38.89 96.11 Favored Glycine 0 C--N 1.34 0.752 0 CA-C-O 119.226 -0.763 . . . . 0.0 113.9 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.83 -42.98 89.86 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.4 1.1 . . . . 0.0 111.09 174.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -63.06 -37.05 85.66 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.261 -0.899 . . . . 0.0 112.048 174.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.85 -46.82 92.81 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-N 118.877 0.762 . . . . 0.0 112.74 170.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.37 -45.72 86.5 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.173 0.986 . . . . 0.0 112.097 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -60.05 -41.72 92.91 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.851 0.86 . . . . 0.0 111.387 172.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.464 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -63.91 -40.71 97.11 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 178.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 73.0 mt -62.53 -51.97 65.3 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.083 0.953 . . . . 0.0 111.488 170.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -60.31 -42.2 95.05 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.099 0.863 . . . . 0.0 112.844 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -59.73 -44.94 93.55 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 118.585 -0.722 . . . . 0.0 111.096 172.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 9.3 tmm? -59.78 -47.45 85.62 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.379 0.99 . . . . 0.0 111.662 175.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -58.77 -41.23 86.12 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.29 -36.44 29.84 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 118.808 0.731 . . . . 0.0 112.531 177.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 7.4 t -71.17 -33.85 70.39 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.808 0.843 . . . . 0.0 112.82 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -128.22 85.75 59.7 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.907 1.683 . . . . 0.0 108.75 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.54 -18.67 6.11 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.684 2.923 . . . . 0.0 114.653 173.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -21.36 2.23 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 127.377 2.271 . . . . 0.0 115.108 165.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 26.8 p -86.55 -20.61 27.72 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.959 1.254 . . . . 0.0 113.305 174.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -53.86 -38.42 64.68 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.41 1.084 . . . . 0.0 113.229 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 2.8 t -53.28 -30.95 41.4 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 178.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -58.28 -32.53 68.5 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 118.132 -0.937 . . . . 0.0 113.156 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 2.5 t80 11.25 67.98 0.09 OUTLIER Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 129.122 2.969 . . . . 0.0 115.072 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -80.83 38.08 0.73 Allowed 'Trans proline' 0 CA--C 1.548 1.213 0 C-N-CA 123.601 2.867 . . . . 0.0 113.794 -158.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.297 0.7 OUTLIER 92.68 7.97 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.38 1 C-N-CA 131.787 4.035 . . . . 0.0 113.715 -170.315 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -71.45 -177.66 1.89 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.963 1.705 . . . . 0.0 114.73 -175.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -130.05 -41.95 1.26 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.125 0.97 . . . . 0.0 113.51 -173.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 mt 54.48 17.56 1.65 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.943 2.097 . . . . 0.0 116.143 175.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 66.1 m -72.63 21.23 0.07 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 126.668 1.987 . . . . 0.0 115.748 -176.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 63.36 142.16 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 127.839 2.455 . . . . 0.0 112.897 -164.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.06 21.15 73.45 Favored Glycine 0 CA--C 1.541 1.715 0 O-C-N 121.026 -1.046 . . . . 0.0 115.18 -177.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 26.3 t -62.94 114.64 3.79 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.483 1.113 . . . . 0.0 113.205 -176.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.28 -34.04 63.75 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.663 1.185 . . . . 0.0 112.778 171.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -67.38 -41.13 85.52 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.215 1.006 . . . . 0.0 111.375 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 90.3 t -65.23 -37.91 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 O-C-N 121.567 -0.708 . . . . 0.0 111.402 172.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -62.16 -48.54 79.62 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 119.29 0.95 . . . . 0.0 111.225 176.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.09 -44.49 98.1 Favored Glycine 0 N--CA 1.472 1.097 0 C-N-CA 124.196 0.903 . . . . 0.0 113.121 177.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.81 -42.71 98.17 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.414 -1.051 . . . . 0.0 111.817 173.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.42 -48.65 82.75 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 124.137 0.875 . . . . 0.0 113.19 172.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -55.11 -40.78 70.88 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.307 1.043 . . . . 0.0 112.245 172.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -65.34 -51.48 60.26 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 173.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 88.1 t -55.6 -43.24 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 CA-C-N 120.333 1.424 . . . . 0.0 110.983 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 63' ' ' ALA . . . . . 0.436 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -63.53 -51.1 66.92 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 123.943 0.897 . . . . 0.0 113.323 176.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -61.68 -30.03 70.47 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.478 -0.764 . . . . 0.0 112.058 176.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.06 -36.01 81.1 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.27 -0.894 . . . . 0.0 113.235 169.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.37 -39.08 88.89 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.346 0.975 . . . . 0.0 111.847 168.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 78.9 m -58.62 -49.0 79.11 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.985 1.266 . . . . 0.0 111.674 169.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -60.83 -38.1 84.3 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.889 1.676 . . . . 0.0 113.037 175.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.13 -60.76 3.25 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 119.078 0.853 . . . . 0.0 110.181 165.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 53.3 t -51.5 -37.51 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.108 1.363 . . . . 0.0 113.013 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.01 -26.49 65.03 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 177.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -134.93 15.91 3.55 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.814 1.246 . . . . 0.0 113.46 -169.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 5.4 p -60.2 -30.14 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.958 1.303 . . . . 0.0 114.513 -165.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.98 -16.32 41.68 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.672 1.189 . . . . 0.0 113.766 172.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -137.0 28.2 2.88 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 128.338 2.655 . . . . 0.0 110.853 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 11.4 ttp -51.02 -36.48 25.64 Favored Pre-proline 0 CA--C 1.548 0.887 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 -173.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -64.31 35.75 0.1 OUTLIER 'Trans proline' 0 CA--C 1.558 1.706 0 C-N-CA 124.851 3.701 . . . . 0.0 116.641 170.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -145.0 -40.96 0.24 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.084 2.154 . . . . 0.0 110.559 162.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.71 -29.05 69.85 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -178.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 85.2 mt -100.07 0.5 40.91 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 67.4 m -55.64 -41.37 73.45 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -171.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.27 -28.59 66.88 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.143 0.883 . . . . 0.0 113.325 175.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 11.7 mt -83.81 -42.29 16.61 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.565 1.146 . . . . 0.0 110.336 -178.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 14.8 m -55.2 -40.32 70.62 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.812 0.445 . . . . 0.0 111.208 166.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.07 -51.38 70.31 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.0 0.92 . . . . 0.0 111.587 174.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.91 -44.94 91.36 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.196 -0.94 . . . . 0.0 111.225 175.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -26.67 68.52 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.23 1.012 . . . . 0.0 113.172 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.78 -17.39 16.26 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.978 1.311 . . . . 0.0 114.529 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -131.01 -35.34 1.4 Allowed 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -171.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -65.28 -46.3 81.01 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 120.52 1.509 . . . . 0.0 109.832 173.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.91 -132.83 0.05 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.497 2.319 . . . . 0.0 108.245 172.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.82 54.0 0.83 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.38 1.072 . . . . 0.0 113.56 -166.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 76.7 t -51.68 103.15 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 124.306 1.042 . . . . 0.0 112.614 -172.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.23 134.27 89.3 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 123.473 0.709 . . . . 0.0 112.152 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -48.53 -33.07 22.51 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 125.171 3.914 . . . . 0.0 116.648 -176.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 14.4 p -47.14 -39.25 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 119.178 0.899 . . . . 0.0 113.047 173.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -73.51 -28.74 62.06 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 121.311 -0.868 . . . . 0.0 112.091 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -60.96 -48.73 80.45 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.116 0.871 . . . . 0.0 109.768 167.316 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -55.35 -45.77 76.45 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 118.631 0.65 . . . . 0.0 110.576 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 64.6 mt -58.5 -62.93 1.49 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.676 1.19 . . . . 0.0 110.964 173.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 56.3 tp -52.06 -45.94 64.93 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.718 0.807 . . . . 0.0 112.789 -178.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 41.1 t -56.46 -51.38 68.67 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.622 1.169 . . . . 0.0 111.626 177.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -60.11 -45.68 92.16 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 122.061 -0.399 . . . . 0.0 111.269 175.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 104' ' ' CYS . . . . . 0.464 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 59.6 m -58.85 -40.9 85.64 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.69 -0.631 . . . . 0.0 112.306 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 64.8 mt -64.35 -45.89 85.82 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.875 0.87 . . . . 0.0 111.423 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.04 -44.99 79.32 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.545 -0.722 . . . . 0.0 111.05 173.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 20.2 t -59.93 -46.57 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.651 1.181 . . . . 0.0 112.401 176.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 10.6 p -66.54 -42.92 86.46 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.78 1.173 . . . . 0.0 111.72 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.06 -45.38 90.94 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.538 1.063 . . . . 0.0 110.811 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.08 -27.87 55.37 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.6 -12.04 60.0 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 178.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -128.47 -17.45 4.16 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 -170.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -111.95 130.78 22.89 Favored Pre-proline 0 CA--C 1.555 1.163 0 C-N-CA 124.266 1.026 . . . . 0.0 109.343 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -47.58 -47.66 17.51 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 124.807 3.672 . . . . 0.0 117.488 -158.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . 0.46 ' HA ' ' CE2' ' C' ' 117' ' ' PHE . . . -134.21 18.41 3.72 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.369 1.067 . . . . 0.0 112.171 -178.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.43 -16.4 5.72 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 117.149 2.277 . . . . 0.0 117.149 -155.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 117' ' ' PHE . . . . . 0.461 ' CE2' ' CG ' ' D' ' 116' ' ' HIS . 27.0 p90 -66.56 12.16 0.08 Allowed 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 126.48 1.912 . . . . 0.0 113.287 162.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.15 162.88 1.81 Allowed Pre-proline 0 N--CA 1.48 1.047 0 C-N-CA 126.138 1.775 . . . . 0.0 112.471 -176.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -52.29 -50.33 14.39 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.675 2.25 . . . . 0.0 113.25 172.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -67.61 -60.26 2.69 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.6 -35.14 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 O-C-N 120.839 -1.163 . . . . 0.0 112.909 -167.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -79.01 -45.56 19.97 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.845 1.202 . . . . 0.0 113.486 176.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.77 -48.59 72.47 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 120.301 1.41 . . . . 0.0 110.245 173.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 50.4 m -59.88 -57.04 14.59 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.653 176.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 27.3 mt -58.38 -42.26 86.65 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 121.507 1.958 . . . . 0.0 113.534 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.76 -52.72 64.29 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 120.074 1.306 . . . . 0.0 111.71 176.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -27.7 63.56 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -68.13 -49.46 60.96 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.062 1.345 . . . . 0.0 110.693 172.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -59.81 -39.4 84.92 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.965 0.802 . . . . 0.0 111.213 172.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.59 -33.66 75.43 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 119.523 1.056 . . . . 0.0 113.78 171.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 36.9 t -71.61 -45.19 62.87 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.622 -1.299 . . . . 0.0 112.119 170.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 57.6 t -51.96 -54.92 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 123.871 0.868 . . . . 0.0 109.487 173.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 95.7 p -64.22 -42.59 96.51 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 119.156 0.889 . . . . 0.0 113.112 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 1.5 m -49.99 -47.64 52.75 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.522 1.055 . . . . 0.0 110.98 171.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 89.2 t -71.1 -44.58 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 O-C-N 121.155 -0.966 . . . . 0.0 111.276 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -16.34 63.95 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 1.4 t -101.23 -17.24 16.69 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.197 1.399 . . . . 0.0 112.427 172.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 CA--C 1.542 0.643 0 C-N-CA 124.2 1.0 . . . . 0.0 112.047 166.94 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.337 2.2 p . . . . . 0 N--CA 1.515 2.8 0 CA-C-O 116.674 -1.631 . . . . 0.0 113.233 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 5.1 m170 39.99 77.74 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 120.583 1.538 . . . . 0.0 113.757 -173.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 63.3 mt -58.41 114.47 2.46 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.135 -0.978 . . . . 0.0 109.68 170.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.63 134.3 82.47 Favored Pre-proline 0 N--CA 1.472 0.658 0 C-N-CA 126.165 1.786 . . . . 0.0 109.08 174.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.52 -42.72 41.37 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.094 2.529 . . . . 0.0 116.351 -168.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.92 -40.38 87.61 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.648 -0.658 . . . . 0.0 111.904 176.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.39 -44.66 82.47 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.147 0.979 . . . . 0.0 111.526 173.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -43.23 83.56 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.787 1.176 . . . . 0.0 111.482 171.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 16.9 t -57.74 -45.86 85.26 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.439 1.018 . . . . 0.0 110.83 173.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.78 -59.43 5.23 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 175.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 11' ' ' VAL . . . . . 0.497 HG23 ' CE2' ' D' ' 130' ' ' TYR . 2.6 p -63.7 -46.23 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 CA-C-N 119.757 1.162 . . . . 0.0 112.462 -179.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -75.54 -32.08 60.31 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.321 0.964 . . . . 0.0 111.961 -172.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.69 -37.07 83.98 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.474 1.488 . . . . 0.0 111.875 171.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -32.81 70.82 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.461 -0.775 . . . . 0.0 111.631 173.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 7.3 t90 -60.56 -44.06 96.58 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.524 -0.735 . . . . 0.0 112.087 165.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.57 -31.99 57.86 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.693 1.616 . . . . 0.0 115.266 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -95.57 -13.06 24.73 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 118.283 1.041 . . . . 0.0 113.76 174.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.77 132.19 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.748 1.219 . . . . 0.0 111.491 -175.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -82.88 91.78 7.17 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.714 0.806 . . . . 0.0 109.184 172.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -54.76 -36.75 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 119.367 0.985 . . . . 0.0 113.563 -171.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.56 -54.71 31.86 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 118.906 0.776 . . . . 0.0 112.71 172.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -72.61 -56.2 5.7 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 119.36 -0.352 . . . . 0.0 110.198 -175.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -27.46 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 119.01 0.823 . . . . 0.0 112.782 179.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.9 -46.73 13.01 Favored Glycine 0 CA--C 1.527 0.823 0 CA-C-N 119.048 0.84 . . . . 0.0 112.256 175.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.99 -41.18 99.96 Favored Glycine 0 N--CA 1.468 0.804 0 CA-C-N 118.337 1.069 . . . . 0.0 112.757 171.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -54.55 -65.89 0.5 Allowed 'General case' 0 C--O 1.214 -0.791 0 C-N-CA 125.112 1.365 . . . . 0.0 109.455 167.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 27' ' ' ALA . . . . . 0.435 ' HA ' HG11 ' D' ' 113' ' ' VAL . . . -54.43 -52.05 63.0 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 121.021 1.737 . . . . 0.0 113.527 -176.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 24.5 tp -70.98 -39.74 72.31 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-O 118.266 -0.874 . . . . 0.0 111.432 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.08 -43.32 99.31 Favored Glycine 0 N--CA 1.468 0.787 0 CA-C-N 119.817 1.189 . . . . 0.0 111.72 171.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -40.84 55.94 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.735 1.614 . . . . 0.0 111.423 177.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' D' ' 106' ' ' LEU . 26.0 tp -49.63 -40.78 40.52 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 123.714 0.806 . . . . 0.0 112.032 176.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.92 -29.73 19.36 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 119.38 -0.343 . . . . 0.0 110.723 -176.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 1.4 m -67.35 -18.1 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.0 2.44 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 119.564 1.074 . . . . 0.0 113.378 168.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.65 39.21 0.6 Allowed Pre-proline 0 CA--C 1.563 1.48 0 C-N-CA 126.263 1.825 . . . . 0.0 114.756 -173.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -83.7 158.34 14.14 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 122.195 1.93 . . . . 0.0 111.738 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 32.9 p90 -48.22 -36.17 13.32 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.038 0.935 . . . . 0.0 113.136 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 2.4 m -49.85 -30.81 10.63 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.799 1.639 . . . . 0.0 114.228 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -58.57 -28.24 65.34 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -30.35 69.94 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.493 0.717 . . . . 0.0 112.519 -177.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -87.47 -4.47 59.0 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 176.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -89.71 8.64 30.65 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.811 0.845 . . . . 0.0 112.888 175.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -53.74 -31.65 49.2 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 120.455 -1.403 . . . . 0.0 113.328 170.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 48.4 p -59.3 -22.77 61.71 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.026 1.331 . . . . 0.0 114.343 175.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -79.54 -11.27 59.89 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.939 1.295 . . . . 0.0 112.999 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.71 -173.56 12.61 Favored Glycine 0 CA--C 1.537 1.436 0 CA-C-N 119.337 0.971 . . . . 0.0 113.557 -171.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 45.58 -124.34 1.18 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.493 1.117 . . . . 0.0 110.96 -170.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 tt 64.65 -21.94 0.08 Allowed 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 127.567 2.347 . . . . 0.0 116.091 173.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -50.62 -29.8 11.84 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.643 2.377 . . . . 0.0 113.686 173.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 10.9 p -127.68 155.02 77.79 Favored Pre-proline 0 N--CA 1.473 0.706 0 C-N-CA 124.384 1.074 . . . . 0.0 109.456 161.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -70.4 -33.0 14.94 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 121.065 1.177 . . . . 0.0 113.391 177.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -58.89 -38.93 79.99 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.061 0.846 . . . . 0.0 110.502 172.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.93 92.45 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 118.375 -0.821 . . . . 0.0 112.246 171.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.13 -34.29 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 CA-C-N 121.085 1.766 . . . . 0.0 113.4 177.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 2.0 ttm -74.3 -34.81 63.61 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.778 0.831 . . . . 0.0 113.171 176.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.48 -31.54 36.94 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.721 0.677 . . . . 0.0 114.246 176.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -49.77 116.45 6.17 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 126.048 1.739 . . . . 0.0 113.506 -171.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -62.56 -26.82 76.18 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.727 2.285 . . . . 0.0 113.292 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -65.87 -43.24 88.93 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.498 1.045 . . . . 0.0 112.117 174.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 26.3 t -69.9 -35.38 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 O-C-N 121.473 -0.767 . . . . 0.0 111.286 174.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -63.08 -51.85 65.02 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.836 1.198 . . . . 0.0 112.277 171.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.23 -46.82 87.45 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.361 1.064 . . . . 0.0 112.677 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -68.02 -35.26 77.99 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.097 -1.002 . . . . 0.0 112.466 175.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.98 -46.2 84.93 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 125.047 1.308 . . . . 0.0 112.702 169.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.79 -42.35 79.31 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 118.289 1.044 . . . . 0.0 111.905 169.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -65.89 -49.65 67.29 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 4.6 m -62.69 -39.73 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 120.033 1.288 . . . . 0.0 111.707 175.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 tt -71.21 -36.73 71.98 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 120.845 -1.16 . . . . 0.0 112.162 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.77 -35.69 75.82 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.674 1.131 . . . . 0.0 113.055 168.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.46 -45.57 75.59 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.264 -1.139 . . . . 0.0 112.426 168.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -58.02 -37.64 74.69 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 120.434 -1.416 . . . . 0.0 112.885 172.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 37.6 p -73.29 -36.85 66.37 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.55 1.068 . . . . 0.0 113.424 176.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -55.54 -35.51 65.77 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.324 0.966 . . . . 0.0 111.3 165.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.93 -63.85 4.93 Favored Glycine 0 C--N 1.339 0.697 0 C-N-CA 123.846 0.736 . . . . 0.0 111.349 167.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 mt -53.73 -21.63 7.56 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 177.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.05 -21.09 22.5 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.689 1.596 . . . . 0.0 114.859 175.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -139.59 41.86 2.02 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.439 1.496 . . . . 0.0 113.264 -171.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.88 -11.71 30.1 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.084 1.512 . . . . 0.0 115.084 177.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.43 -4.95 42.46 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.011 0.924 . . . . 0.0 113.335 170.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.45 -63.4 1.39 Allowed 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -171.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 50.91 -13.38 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 118.343 2.72 . . . . 0.0 118.343 -171.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -119.75 -57.53 1.96 Allowed 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.702 1.592 . . . . 0.0 111.105 -178.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.25 -39.37 94.51 Favored Glycine 0 CA--C 1.537 1.435 0 CA-C-N 118.876 0.762 . . . . 0.0 114.067 176.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 3.1 t -71.69 -18.98 62.13 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -121.55 5.69 10.08 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -175.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.98 -39.72 69.3 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 120.648 1.567 . . . . 0.0 113.479 -173.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 17.1 p -63.68 -44.1 94.74 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.931 1.292 . . . . 0.0 112.75 173.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 20.9 mt -68.49 -39.34 81.36 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.539 -0.726 . . . . 0.0 111.829 175.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -63.46 -38.48 91.3 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.244 1.018 . . . . 0.0 111.637 175.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -64.88 -49.78 69.14 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.196 -0.94 . . . . 0.0 112.107 170.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 12.5 tp -50.72 -54.69 21.17 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.14 0.976 . . . . 0.0 111.285 173.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -74.56 10.74 1.22 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.012 1.325 . . . . 0.0 114.239 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 41.9 t -130.47 -58.35 1.05 Allowed 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.934 -1.104 . . . . 0.0 111.704 174.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.65 -40.18 69.86 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.141 0.976 . . . . 0.0 112.893 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.71 -41.51 16.18 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.326 0.65 . . . . 0.0 112.447 178.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.99 82.24 1.44 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.596 1.558 . . . . 0.0 111.521 -176.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -66.22 28.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 126.997 2.119 . . . . 0.0 115.091 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 75.2 t -51.55 145.46 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 127.872 2.469 . . . . 0.0 112.392 -173.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -57.01 131.98 80.05 Favored Pre-proline 0 CA--C 1.553 1.06 0 O-C-N 121.555 -0.716 . . . . 0.0 112.877 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -49.44 -30.29 20.39 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 124.076 3.184 . . . . 0.0 115.49 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -42.72 -46.49 5.13 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.395 1.478 . . . . 0.0 113.897 170.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -64.97 -31.83 73.26 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.232 -0.918 . . . . 0.0 112.752 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -67.2 -45.72 76.06 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.961 0.904 . . . . 0.0 109.96 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 24.8 mtt85 -62.97 -38.54 91.52 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 122.04 -0.412 . . . . 0.0 111.635 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.33 -48.5 81.5 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.099 0.96 . . . . 0.0 112.708 172.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' D' ' 31' ' ' LEU . 1.4 tt -56.98 -42.5 80.34 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.876 0.762 . . . . 0.0 110.832 174.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.3 -63.52 5.21 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 124.348 0.975 . . . . 0.0 114.182 172.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -44.9 -49.27 11.08 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.108 1.763 . . . . 0.0 110.762 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 37.2 t -59.64 -52.55 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 123.653 0.781 . . . . 0.0 112.221 176.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 58.3 tp -56.37 -51.6 67.7 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 119.654 1.115 . . . . 0.0 110.938 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 111' ' ' VAL . . . . . 0.423 HG12 ' HB3' ' D' ' 130' ' ' TYR . 1.4 m -62.84 -31.52 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.796 -179.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 22.4 t -66.24 -42.68 88.28 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.289 0.495 . . . . 0.0 111.73 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 113' ' ' VAL . . . . . 0.435 HG11 ' HA ' ' D' ' 27' ' ' ALA 0.261 1.7 m -69.1 -37.39 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 120.679 -1.263 . . . . 0.0 112.472 -178.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.79 -36.43 83.87 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.693 -0.629 . . . . 0.0 110.89 172.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.6 -29.96 69.53 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 171.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 116' ' ' HIS . . . . . 0.461 ' CG ' ' CE2' ' C' ' 117' ' ' PHE . 0.8 OUTLIER -77.85 -50.01 13.12 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.579 1.081 . . . . 0.0 112.302 172.764 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.91 -19.14 61.97 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -167.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -129.08 41.26 3.5 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.157 1.783 . . . . 0.0 110.005 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -54.47 -23.02 25.84 Favored Glycine 0 N--CA 1.475 1.271 0 C-N-CA 126.063 1.792 . . . . 0.0 116.088 -177.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -79.75 -8.54 59.31 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 118.879 1.339 . . . . 0.0 113.794 173.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -128.83 3.93 5.41 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 127.364 2.266 . . . . 0.0 112.541 -173.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.85 26.79 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 127.161 2.184 . . . . 0.0 116.108 -171.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 29.1 p -46.3 144.48 3.18 Favored Pre-proline 0 N--CA 1.48 1.054 0 O-C-N 120.675 -1.266 . . . . 0.0 113.571 -165.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -40.42 -46.0 4.4 Favored 'Trans proline' 0 CA--C 1.548 1.182 0 C-N-CA 123.335 2.69 . . . . 0.0 116.121 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.83 -26.99 26.66 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 121.684 1.589 . . . . 0.0 115.074 173.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -44.78 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 121.9 2.136 . . . . 0.0 111.765 174.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -73.91 -28.28 61.45 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 118.289 -0.862 . . . . 0.0 112.48 175.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.38 -48.35 67.68 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 120.855 1.661 . . . . 0.0 111.688 170.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.41 81.71 Favored 'General case' 0 CA--C 1.527 0.074 0 C-N-CA 124.894 1.278 . . . . 0.0 111.483 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 130' ' ' TYR . . . . . 0.497 ' CE2' HG23 ' D' ' 11' ' ' VAL . 1.0 OUTLIER -54.67 -51.37 65.7 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 118.498 -0.763 . . . . 0.0 111.514 170.694 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.19 -36.1 74.74 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.856 1.207 . . . . 0.0 113.026 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -66.83 -44.0 82.25 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.714 1.143 . . . . 0.0 112.881 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.77 -39.83 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.024 -1.047 . . . . 0.0 112.413 172.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 20.0 t -60.83 -42.27 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.636 1.174 . . . . 0.0 111.972 176.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.0 96.75 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.686 1.194 . . . . 0.0 111.951 174.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -54.59 -49.8 59.73 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.747 -0.474 . . . . 0.0 112.135 169.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 3.7 t -58.33 -47.93 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 117.895 0.848 . . . . 0.0 112.159 172.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.96 -47.53 80.51 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 120.213 1.369 . . . . 0.0 111.836 178.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -66.48 -36.06 81.82 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.749 -0.595 . . . . 0.0 112.308 176.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.28 -48.57 79.3 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.074 -1.016 . . . . 0.0 112.578 173.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 8.9 mt -68.2 -27.79 66.69 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.182 -0.949 . . . . 0.0 111.782 177.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 142' ' ' ALA . . . . . 0.488 ' HA ' ' CE1' ' D' ' 145' ' ' TYR . . . -77.69 -6.79 55.12 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 168.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -62.66 -42.17 99.46 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 119.815 -1.803 . . . . 0.0 113.111 -167.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -9.51 3.83 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.447 1.499 . . . . 0.0 114.923 176.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 145' ' ' TYR . . . . . 0.488 ' CE1' ' HA ' ' D' ' 142' ' ' ALA . 1.7 m-30 -70.99 -27.05 63.42 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 119.388 0.995 . . . . 0.0 111.623 -177.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 60.5 m80 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.131 1.772 . . . . 0.0 112.788 177.908 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.27 3.1 p . . . . . 0 N--CA 1.511 2.613 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 58.4 mt -141.98 165.9 26.18 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 120.683 1.583 . . . . 0.0 113.238 -172.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.21 165.66 25.3 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 126.891 2.076 . . . . 0.0 113.2 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -78.57 -49.75 0.08 OUTLIER 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.368 2.712 . . . . 0.0 114.245 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.78 -29.08 70.43 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.344 -0.847 . . . . 0.0 112.501 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -48.01 -61.36 2.01 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.914 1.286 . . . . 0.0 112.184 165.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -54.66 -47.07 74.03 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.746 0.818 . . . . 0.0 110.678 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.7 m -55.04 -49.28 71.98 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 118.95 0.796 . . . . 0.0 112.609 178.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.618 HD21 ' HB1' ' A' ' 120' ' ' ALA . 81.6 m-20 -66.32 -37.66 85.88 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.068 0.849 . . . . 0.0 112.932 176.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.5 t -63.34 -48.42 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-O 118.732 -0.652 . . . . 0.0 110.925 174.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -58.21 -44.34 88.11 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.521 1.055 . . . . 0.0 111.354 174.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.9 -53.31 59.88 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.31 0.644 . . . . 0.0 111.671 176.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.17 -52.49 65.12 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.34 0.656 . . . . 0.0 111.57 176.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -62.27 -27.21 68.86 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.36 -41.95 97.91 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.625 1.107 . . . . 0.0 113.45 170.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -71.07 -35.93 72.09 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 118.538 1.169 . . . . 0.0 111.172 173.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.04 -43.02 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.445 1.098 . . . . 0.0 111.808 174.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.83 -142.65 7.16 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.51 1.052 . . . . 0.0 114.529 175.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.73 -21.84 63.38 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.313 -1.11 . . . . 0.0 113.951 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -66.35 -10.71 45.89 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.241 1.017 . . . . 0.0 113.372 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -44.95 -48.07 11.36 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.917 1.287 . . . . 0.0 113.531 177.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.53 -35.91 91.84 Favored Glycine 0 C--N 1.34 0.767 0 O-C-N 121.903 -0.498 . . . . 0.0 113.776 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.39 -46.66 82.35 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.453 1.101 . . . . 0.0 110.047 175.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -63.96 -36.2 83.18 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.855 0.862 . . . . 0.0 111.891 176.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.95 -46.39 81.89 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-N 118.783 0.72 . . . . 0.0 112.838 171.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.71 92.71 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.228 1.014 . . . . 0.0 111.605 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.04 -41.39 98.06 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 123.634 0.774 . . . . 0.0 111.728 173.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.09 93.66 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.5 1.045 . . . . 0.0 112.603 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.2 mt -66.47 -50.79 62.14 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.601 1.16 . . . . 0.0 112.111 174.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -57.39 -45.52 84.42 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.442 -0.787 . . . . 0.0 111.822 177.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -47.62 79.04 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.272 1.829 . . . . 0.0 112.156 171.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.9 ttp -57.77 -49.61 76.03 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.765 174.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -61.32 -40.19 93.31 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.601 0.964 . . . . 0.0 113.601 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -83.89 -29.97 26.76 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.9 m -68.58 -43.96 75.4 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 119.804 1.184 . . . . 0.0 112.396 170.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -127.61 81.24 70.56 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 125.906 1.683 . . . . 0.0 109.802 -174.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.11 -27.49 17.18 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.984 3.123 . . . . 0.0 115.052 175.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 p -51.8 -35.98 46.05 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.724 1.21 . . . . 0.0 113.161 170.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.2 p -64.01 -28.11 69.58 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 174.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -63.12 -37.29 86.64 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.665 1.12 . . . . 0.0 112.535 177.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -32.4 73.93 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 121.189 -0.944 . . . . 0.0 113.063 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -62.8 -26.38 68.7 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -156.64 110.94 2.0 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 123.601 0.76 . . . . 0.0 109.921 161.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.89 -133.66 0.01 OUTLIER 'Trans proline' 0 CA--C 1.547 1.145 0 C-N-CA 123.876 3.051 . . . . 0.0 109.567 171.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 p80 58.13 -11.77 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 127.651 2.38 . . . . 0.0 116.823 -174.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -72.36 114.97 11.05 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.491 1.917 . . . . 0.0 112.45 176.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -80.61 69.83 7.2 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.355 1.462 . . . . 0.0 111.202 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.8 mt -69.71 31.86 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 125.874 1.67 . . . . 0.0 114.789 -175.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.4 m -72.71 7.76 1.79 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 127.334 2.254 . . . . 0.0 114.966 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.4 m170 75.89 124.09 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 129.032 2.933 . . . . 0.0 112.641 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.97 1.96 59.58 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 124.908 1.242 . . . . 0.0 114.997 -175.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -53.9 116.93 2.81 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.705 2.002 . . . . 0.0 114.838 -171.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.65 -37.11 72.81 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.518 1.127 . . . . 0.0 113.451 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -68.2 -31.51 71.08 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 176.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.6 t -72.92 -48.5 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 119.87 1.214 . . . . 0.0 110.837 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -60.11 -42.08 93.96 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.357 0.526 . . . . 0.0 111.638 173.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.38 -48.76 79.96 Favored Glycine 0 N--CA 1.47 0.911 0 C-N-CA 124.127 0.87 . . . . 0.0 113.06 175.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -58.65 -42.94 89.53 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.923 1.361 . . . . 0.0 111.789 173.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.9 -50.68 49.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 121.45 -0.781 . . . . 0.0 113.589 170.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -55.11 -44.99 75.45 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.311 1.044 . . . . 0.0 112.215 172.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -63.46 -50.65 68.89 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.988 0.915 . . . . 0.0 112.502 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 80.4 t -54.57 -47.45 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-N 118.98 0.809 . . . . 0.0 110.785 174.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.477 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -62.89 -41.26 99.36 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.81 -38.69 91.72 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 118.941 0.792 . . . . 0.0 111.422 175.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.498 ' HB1' HD11 ' A' ' 83' ' ' LEU . . . -66.13 -30.3 70.76 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 169.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.47 -43.43 94.23 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.863 1.21 . . . . 0.0 110.904 167.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.0 m -58.88 -46.28 88.2 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.36 1.436 . . . . 0.0 112.686 170.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -30.52 69.8 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.034 -1.041 . . . . 0.0 112.973 179.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.61 -56.97 14.1 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 124.241 1.016 . . . . 0.0 110.554 163.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.5 t -53.05 -41.56 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-N 119.584 1.084 . . . . 0.0 112.845 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.5 -23.87 67.58 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -138.35 29.77 2.43 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.406 1.482 . . . . 0.0 111.827 -172.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.1 p -62.67 -30.22 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -162.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -78.08 -15.09 59.2 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 173.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.3 17.46 10.64 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 127.946 2.499 . . . . 0.0 111.178 -173.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.3 ttp -55.96 -29.42 5.72 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 126.403 1.881 . . . . 0.0 115.899 -170.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -50.25 23.53 0.02 OUTLIER 'Trans proline' 0 CA--C 1.551 1.354 1 C-N-CA 126.638 4.892 . . . . 0.0 119.123 161.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -150.2 -35.98 0.16 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.759 2.024 . . . . 0.0 111.066 169.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.89 -33.91 65.04 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 176.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 mt -96.81 7.51 46.44 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -175.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -55.39 -38.47 68.91 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 120.705 1.593 . . . . 0.0 114.67 -175.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.95 73.52 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.949 -1.094 . . . . 0.0 112.634 172.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.498 HD11 ' HB1' ' A' ' 65' ' ' ALA . 2.3 mt -79.64 -31.04 41.48 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.577 1.151 . . . . 0.0 111.216 179.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.0 t -54.8 -49.52 70.77 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 117.731 -1.128 . . . . 0.0 110.813 162.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -57.26 -36.67 71.27 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 120.396 1.453 . . . . 0.0 113.553 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -56.83 -62.01 2.04 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.984 0.811 . . . . 0.0 111.024 170.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.63 -25.65 66.69 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.012 -1.055 . . . . 0.0 113.77 -178.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.3 -33.37 16.13 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.896 1.225 . . . . 0.0 113.521 -173.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -135.06 2.71 3.1 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -169.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -135.98 -17.97 1.61 Allowed 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.8 mt -141.34 -46.66 0.38 Allowed 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 116.493 2.034 . . . . 0.0 116.493 -172.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 46.68 32.64 1.78 Allowed 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 126.418 1.887 . . . . 0.0 115.596 -176.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.36 142.05 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.319 1.047 . . . . 0.0 111.955 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -58.56 131.65 85.44 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 124.999 1.32 . . . . 0.0 111.801 172.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -45.16 -19.91 0.39 Allowed 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 124.698 3.599 . . . . 0.0 116.84 173.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.2 p -47.93 -40.61 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 O-C-N 120.172 -1.58 . . . . 0.0 113.361 170.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -63.38 -33.93 76.62 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.117 -0.99 . . . . 0.0 112.378 174.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -57.96 -49.62 76.19 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 119.501 1.046 . . . . 0.0 109.326 173.341 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -57.79 -40.33 79.62 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.982 0.896 . . . . 0.0 111.109 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.24 -51.11 62.94 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.764 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.2 tp -57.72 -47.92 81.04 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.649 -0.657 . . . . 0.0 112.708 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.3 p -63.57 -43.39 97.14 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.303 0.956 . . . . 0.0 111.683 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -58.46 -52.12 66.95 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 122.692 0.397 . . . . 0.0 110.621 172.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 92.7 m -60.28 -32.68 71.41 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.4 mt -68.34 -48.31 65.2 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 124.258 1.023 . . . . 0.0 111.863 173.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.0 mt -54.69 -40.53 69.25 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.426 -0.796 . . . . 0.0 110.652 173.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.6 -45.77 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 124.033 0.933 . . . . 0.0 112.826 174.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.6 p -67.58 -32.12 72.65 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.276 1.398 . . . . 0.0 112.333 177.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.71 -45.22 90.97 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.155 0.889 . . . . 0.0 111.059 169.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.07 -32.81 64.45 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.26 -12.42 61.58 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 177.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -128.48 -16.89 4.27 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -173.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.1 mp -114.4 124.63 30.38 Favored Pre-proline 0 CA--C 1.557 1.223 0 C-N-CA 124.907 1.283 . . . . 0.0 109.099 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -40.2 -61.03 0.49 Allowed 'Trans proline' 0 C--N 1.357 1.003 1 C-N-CA 125.689 4.259 . . . . 0.0 118.0 -159.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -132.63 40.8 3.24 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 125.275 1.43 . . . . 0.0 108.86 176.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -21.29 6.13 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 -164.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.401 ' HA ' ' HB2' ' A' ' 122' ' ' HIS . 13.0 p90 -62.97 7.99 0.07 Allowed 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 165.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.9 149.84 5.91 Favored Pre-proline 0 N--CA 1.477 0.923 0 CA-C-N 120.777 1.626 . . . . 0.0 111.398 -178.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -48.98 -39.87 40.49 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.513 2.142 . . . . 0.0 114.83 173.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.618 ' HB1' HD21 ' A' ' 9' ' ' ASN . . . -72.12 -60.14 2.38 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 174.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.94 -38.05 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 120.877 -1.14 . . . . 0.0 112.695 -169.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.5 ' CE1' HG22 ' B' ' 34' ' ' VAL . 20.7 t-160 -78.34 -43.67 27.16 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 125.349 1.46 . . . . 0.0 113.628 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.23 -48.4 76.55 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-N 119.876 1.216 . . . . 0.0 109.499 172.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.7 m -53.59 -63.29 1.2 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.709 0.804 . . . . 0.0 112.042 173.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 37.3 mt -61.22 -40.81 95.38 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 120.473 -1.392 . . . . 0.0 113.956 -175.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.04 -48.94 74.3 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.264 1.393 . . . . 0.0 111.678 177.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -28.44 65.83 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 118.727 0.694 . . . . 0.0 112.747 178.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -67.92 -45.53 74.09 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.504 1.047 . . . . 0.0 111.446 169.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.27 -31.08 69.89 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.335 -1.478 . . . . 0.0 111.417 170.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.87 65.85 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 172.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 79.0 p -78.57 -42.28 29.6 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.397 -1.439 . . . . 0.0 111.658 170.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 73.0 t -50.43 -54.46 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.615 1.166 . . . . 0.0 109.582 169.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 87.0 p -63.63 -46.75 84.27 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.9 m -48.44 -51.66 25.82 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 118.848 0.749 . . . . 0.0 110.566 173.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 91.4 t -67.35 -43.27 87.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 118.391 0.542 . . . . 0.0 111.367 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -32.05 65.3 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.2 0.909 . . . . 0.0 113.049 175.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 98.8 m -93.85 -7.9 41.92 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.227 2.211 . . . . 0.0 112.929 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.474 0.74 0 C-N-CA 125.195 1.398 . . . . 0.0 111.551 -171.313 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . 0.457 HG13 ' H ' ' B' ' 2' ' ' HIS 0.312 5.2 p . . . . . 0 N--CA 1.516 2.856 0 CA-C-O 116.995 -1.478 . . . . 0.0 112.919 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' HIS . . . . . 0.457 ' H ' HG13 ' B' ' 1' ' ' VAL . 44.4 m80 20.2 70.84 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 128.213 2.605 . . . . 0.0 115.266 -177.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.38 156.84 12.09 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.036 0.534 . . . . 0.0 111.286 -177.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.58 147.29 83.79 Favored Pre-proline 0 N--CA 1.479 1.003 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 162.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -50.77 -38.45 56.78 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 123.099 2.533 . . . . 0.0 114.863 175.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -73.84 -36.04 64.87 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.875 0.761 . . . . 0.0 111.875 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.32 -41.05 81.39 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.502 -0.749 . . . . 0.0 111.393 171.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -54.9 -50.89 67.64 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.894 0.877 . . . . 0.0 110.736 170.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 45.4 m -55.61 -43.12 75.8 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.449 1.022 . . . . 0.0 112.137 174.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.11 -48.43 80.22 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 177.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.6 p -69.06 -55.45 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 CA-C-N 119.459 1.027 . . . . 0.0 112.461 174.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -68.45 -34.77 76.55 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.696 -1.252 . . . . 0.0 112.678 -169.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.25 -37.6 85.88 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.683 1.129 . . . . 0.0 112.207 174.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 tt -67.92 -35.39 78.37 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.456 -0.777 . . . . 0.0 111.106 172.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . 0.4 ' CZ2' ' CD1' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -61.49 -32.02 72.02 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 167.753 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.55 -37.38 93.25 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.303 0.954 . . . . 0.0 114.012 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -90.4 -16.94 28.13 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 176.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.68 135.44 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 123.838 0.855 . . . . 0.0 112.603 -167.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -87.08 87.91 7.57 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.806 0.842 . . . . 0.0 109.255 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.513 HG13 HD22 ' B' ' 68' ' ' LEU . 70.3 t -52.78 -38.9 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 CA-C-N 119.574 1.079 . . . . 0.0 113.864 -170.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -45.39 76.32 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.898 0.772 . . . . 0.0 112.789 175.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -79.31 -52.87 7.54 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.834 -0.541 . . . . 0.0 110.762 -175.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.97 -30.93 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 123.73 0.812 . . . . 0.0 111.825 175.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.21 -45.74 18.44 Favored Glycine 0 C--N 1.342 0.865 0 CA-C-N 119.395 0.998 . . . . 0.0 112.067 177.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.55 -45.11 96.93 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 117.926 0.863 . . . . 0.0 112.538 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.15 -29.48 68.38 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 118.083 -0.961 . . . . 0.0 112.08 174.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.525 ' HA ' HG11 ' B' ' 113' ' ' VAL . . . -68.97 -62.28 1.45 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 121.189 1.813 . . . . 0.0 111.693 172.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.4 tp -64.05 -37.37 87.18 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.745 -0.597 . . . . 0.0 110.448 -176.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.685 ' O ' HG13 ' B' ' 33' ' ' VAL . . . -48.78 -62.8 4.27 Favored Glycine 0 CA--C 1.525 0.692 0 CA-C-O 118.239 -1.312 . . . . 0.0 112.012 161.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -50.54 -26.13 4.88 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 120.229 2.015 . . . . 0.0 114.261 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tt -77.73 -51.11 11.08 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 120.507 1.503 . . . . 0.0 111.462 169.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -76.72 -8.9 58.16 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.906 -1.121 . . . . 0.0 113.113 -176.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.685 HG13 ' O ' ' B' ' 29' ' ' GLY . 3.0 m -74.91 -26.44 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 119.842 1.201 . . . . 0.0 114.186 172.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.5 HG22 ' CE1' ' A' ' 122' ' ' HIS . 0.3 OUTLIER -76.12 1.42 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 CA-C-N 119.874 1.215 . . . . 0.0 113.846 -167.041 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.4 42.32 1.24 Allowed Pre-proline 0 CA--C 1.557 1.242 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -162.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -73.88 164.23 35.11 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.49 2.127 . . . . 0.0 111.78 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -54.38 -32.84 57.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.438 1.095 . . . . 0.0 113.422 168.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 16.8 p -57.74 -20.59 35.9 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 120.606 -1.309 . . . . 0.0 113.638 173.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -60.03 -16.63 32.64 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 171.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.28 -41.81 19.62 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 121.461 1.937 . . . . 0.0 112.083 169.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -74.66 3.22 8.21 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 0.405 ' HB2' HD13 ' B' ' 48' ' ' LEU . 6.2 p90 -50.52 -23.16 2.32 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -179.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -50.54 -33.95 23.58 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 171.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.23 6.23 26.88 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 176.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -123.96 23.74 8.48 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.306 1.842 . . . . 0.0 111.206 -174.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.27 -97.2 0.03 OUTLIER Glycine 0 CA--C 1.539 1.569 0 C-N-CA 125.935 1.731 . . . . 0.0 116.052 168.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.79 -94.45 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 125.602 1.561 . . . . 0.0 112.788 -174.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.405 HD13 ' HB2' ' B' ' 42' ' ' PHE . 10.2 tt 58.46 -23.33 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 129.199 2.999 . . . . 0.0 118.023 174.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 59.3 p -53.81 -17.03 2.04 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 127.669 2.388 . . . . 0.0 115.939 -175.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 13.7 p -135.46 159.62 70.93 Favored Pre-proline 0 N--CA 1.472 0.672 0 C-N-CA 125.683 1.593 . . . . 0.0 111.604 166.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -57.61 -50.07 11.68 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.447 2.764 . . . . 0.0 114.451 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.29 -34.62 75.51 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.696 -0.627 . . . . 0.0 112.246 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.15 -51.26 70.37 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.458 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.81 -31.63 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 CA-C-N 121.294 1.861 . . . . 0.0 114.215 -174.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 6.1 ptp -90.6 -18.0 25.93 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 177.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.64 -14.1 55.86 Favored Glycine 0 CA--C 1.541 1.682 0 C-N-CA 124.238 0.923 . . . . 0.0 114.488 170.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -65.26 120.77 70.25 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 127.178 2.191 . . . . 0.0 113.308 -173.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -63.3 -32.53 72.76 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.783 2.322 . . . . 0.0 112.729 -177.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 38.9 tttp -70.55 -38.77 74.21 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.82 0.848 . . . . 0.0 112.309 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 72.6 t -65.9 -41.89 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.63 -0.669 . . . . 0.0 111.04 171.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -65.72 -44.23 86.66 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.472 1.033 . . . . 0.0 111.624 175.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.54 -50.19 73.67 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.673 1.124 . . . . 0.0 113.362 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -64.62 -35.85 82.36 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.002 -1.062 . . . . 0.0 111.629 173.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.57 -48.53 84.01 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 124.426 1.012 . . . . 0.0 112.78 173.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -58.25 -39.03 78.09 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.487 1.115 . . . . 0.0 111.999 171.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -66.82 -53.0 37.19 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.188 0.995 . . . . 0.0 113.374 175.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 4.5 m -60.14 -38.31 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 120.234 1.379 . . . . 0.0 111.61 176.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.513 HD22 HG13 ' B' ' 20' ' ' VAL . 7.0 tt -69.2 -44.97 71.03 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.403 -0.811 . . . . 0.0 111.903 175.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.73 -41.75 75.9 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.825 1.202 . . . . 0.0 112.029 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.29 89.89 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 171.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.4 ' CD1' ' CZ2' ' B' ' 15' ' ' TRP . 7.4 t80 -55.77 -41.58 74.23 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.884 -1.135 . . . . 0.0 112.1 170.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -63.74 -44.08 94.58 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.193 0.997 . . . . 0.0 112.228 176.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -30.31 66.21 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.761 1.224 . . . . 0.0 111.85 170.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.53 -63.2 5.44 Favored Glycine 0 C--N 1.34 0.753 0 C-N-CA 125.002 1.287 . . . . 0.0 110.659 169.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.56 -32.09 62.7 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.814 1.307 . . . . 0.0 113.833 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.84 -28.91 67.95 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 173.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -142.78 45.1 1.59 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.488 1.515 . . . . 0.0 113.183 -169.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.76 -19.66 59.69 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 120.774 -1.204 . . . . 0.0 113.987 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.85 -40.44 21.43 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.607 1.963 . . . . 0.0 114.041 177.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -157.29 134.39 10.29 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.303 1.041 . . . . 0.0 111.22 169.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 48.1 mt -104.15 -43.4 5.26 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.35 0.66 . . . . 0.0 112.142 -173.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -57.61 -24.84 58.56 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 125.541 1.536 . . . . 0.0 113.929 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.94 4.04 58.91 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 126.235 1.874 . . . . 0.0 115.429 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.23 -19.84 5.43 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.098 1.449 . . . . 0.0 113.529 173.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -106.83 13.3 28.0 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.681 1.193 . . . . 0.0 113.875 174.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.41 -40.14 64.88 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.93 1.241 . . . . 0.0 113.753 -177.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 6.2 p -64.42 -42.45 96.03 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.443 1.097 . . . . 0.0 112.664 173.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 15.4 mt -70.07 -32.79 71.05 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.702 -0.623 . . . . 0.0 112.026 175.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 7.3 t -62.93 -46.65 86.76 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.035 0.934 . . . . 0.0 111.31 172.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -62.71 -37.95 88.51 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.245 -0.91 . . . . 0.0 112.728 171.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.54 -56.66 17.6 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.557 -1.339 . . . . 0.0 111.953 174.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -73.96 -21.96 59.81 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 37.9 t -97.41 -53.3 3.5 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 174.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -85.83 -38.57 17.99 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.62 1.555 . . . . 0.0 113.264 -171.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -85.5 -28.65 24.84 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 77.1 mt -119.44 -39.59 2.87 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -174.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 50.89 18.09 0.48 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 127.646 2.378 . . . . 0.0 116.316 -178.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 1.3 m -52.02 140.96 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.015 1.726 . . . . 0.0 112.672 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.07 136.27 96.61 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-O 119.13 -0.462 . . . . 0.0 112.22 -175.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -48.78 -35.27 30.18 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.12 3.214 . . . . 0.0 116.599 -175.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -50.25 -30.39 11.6 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.32 -1.488 . . . . 0.0 113.274 173.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -62.76 -37.79 88.0 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.328 1.051 . . . . 0.0 111.597 176.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . 0.473 ' CD1' ' HB1' ' B' ' 138' ' ' ALA . 0.4 OUTLIER -61.59 -46.26 90.6 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.625 1.102 . . . . 0.0 110.513 172.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' ARG . . . . . 0.407 ' N ' ' CD1' ' B' ' 103' ' ' PHE . 8.3 tpm_? -64.65 -36.9 85.75 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.922 0.889 . . . . 0.0 110.166 -173.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -47.6 85.64 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.175 0.99 . . . . 0.0 111.911 170.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -38.24 85.4 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.431 1.014 . . . . 0.0 111.403 176.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' GLY . . . . . 0.415 ' O ' HG13 ' B' ' 111' ' ' VAL . . . -64.05 -54.42 30.5 Favored Glycine 0 N--CA 1.466 0.69 0 O-C-N 121.51 -0.744 . . . . 0.0 113.236 174.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -58.11 -32.02 67.7 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 118.04 0.92 . . . . 0.0 111.536 177.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 6.7 t -63.67 -57.02 13.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 120.869 -1.144 . . . . 0.0 112.052 167.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 48.4 tp -56.35 -45.49 80.4 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 119.362 0.983 . . . . 0.0 111.796 -176.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.676 HG12 ' HB3' ' B' ' 130' ' ' TYR . 2.6 m -61.7 -26.7 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 121.452 -0.78 . . . . 0.0 112.389 178.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 20.3 t -94.21 -35.11 12.63 Favored 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -172.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . 0.525 HG11 ' HA ' ' B' ' 27' ' ' ALA . 0.2 OUTLIER -55.84 -38.57 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-N 120.106 1.321 . . . . 0.0 110.183 167.339 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 35.7 mt -64.0 -43.54 95.37 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.129 0.422 . . . . 0.0 111.357 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.02 -21.92 65.29 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 170.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.98 -60.01 2.51 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.128 0.876 . . . . 0.0 111.103 167.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -66.82 -26.0 66.72 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.606 0.639 . . . . 0.0 112.418 -170.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -129.99 39.38 3.69 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.857 1.663 . . . . 0.0 110.282 -175.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -49.05 -40.32 27.92 Favored Glycine 0 N--CA 1.474 1.192 0 C-N-CA 125.171 1.367 . . . . 0.0 114.629 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -9.6 5.49 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 171.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -134.82 11.09 3.66 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.163 1.785 . . . . 0.0 113.078 -176.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.16 27.14 0.06 Allowed 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -168.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 18.9 p -43.46 144.73 1.22 Allowed Pre-proline 0 N--CA 1.485 1.298 0 CA-C-N 120.23 1.377 . . . . 0.0 114.375 -159.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -41.64 -47.38 6.06 Favored 'Trans proline' 0 CA--C 1.546 1.108 0 C-N-CA 122.951 2.434 . . . . 0.0 115.444 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.58 -23.75 31.28 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 121.911 1.741 . . . . 0.0 115.229 173.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.44 -47.96 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 121.135 1.789 . . . . 0.0 110.413 173.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -64.26 -43.75 93.89 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.247 -0.908 . . . . 0.0 111.524 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.79 -32.6 69.47 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.386 0.675 . . . . 0.0 112.562 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.67 -52.18 22.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.429 0.691 . . . . 0.0 110.419 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.676 ' HB3' HG12 ' B' ' 111' ' ' VAL . 45.6 m-85 -53.67 -46.87 70.76 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.517 0.599 . . . . 0.0 112.052 172.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -59.81 -39.25 84.37 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 117.912 -1.042 . . . . 0.0 112.971 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.34 -39.85 89.46 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 120.283 1.401 . . . . 0.0 113.377 172.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 17.5 t -65.88 -47.31 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 CA-C-N 119.754 1.161 . . . . 0.0 111.084 174.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.64 -40.84 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.223 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.76 -44.66 86.31 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.997 1.271 . . . . 0.0 111.22 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -60.08 -54.56 36.39 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 121.784 -0.573 . . . . 0.0 112.993 171.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -44.46 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 118.353 1.076 . . . . 0.0 110.465 -177.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 138' ' ' ALA . . . . . 0.473 ' HB1' ' CD1' ' B' ' 103' ' ' PHE . . . -65.04 -41.74 94.96 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.579 1.152 . . . . 0.0 113.315 176.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -64.55 -19.55 65.69 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.416 1.007 . . . . 0.0 112.404 172.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.35 24.26 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.095 -1.003 . . . . 0.0 111.897 165.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.38 -27.65 69.23 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.551 -1.343 . . . . 0.0 112.799 174.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -75.11 -15.58 60.59 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.611 1.964 . . . . 0.0 113.922 172.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -52.87 -44.76 67.07 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.943 1.701 . . . . 0.0 114.286 -173.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -68.94 -15.0 63.37 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 173.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.555 1.16 0 C-N-CA 126.595 1.958 . . . . 0.0 113.281 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.272 3.0 p . . . . . 0 N--CA 1.513 2.698 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 58.6 mt -141.96 165.98 25.97 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 120.645 1.566 . . . . 0.0 113.282 -172.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.35 165.79 24.37 Favored Pre-proline 0 N--CA 1.479 0.983 0 C-N-CA 126.826 2.051 . . . . 0.0 113.15 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -78.76 -49.74 0.08 OUTLIER 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 123.362 2.708 . . . . 0.0 114.138 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.72 -29.19 70.48 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 121.367 -0.833 . . . . 0.0 112.408 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -47.93 -61.43 1.96 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.856 1.262 . . . . 0.0 112.2 165.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -54.51 -47.25 73.3 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.82 0.848 . . . . 0.0 110.599 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 56.5 m -54.99 -49.23 72.01 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 118.819 0.736 . . . . 0.0 112.6 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . 0.609 HD21 ' HB1' ' C' ' 120' ' ' ALA . 81.7 m-20 -66.44 -37.43 85.14 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.997 0.817 . . . . 0.0 112.993 176.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 84.9 t -63.5 -48.34 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 118.753 -0.641 . . . . 0.0 110.922 174.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -58.32 -44.27 88.55 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.496 1.044 . . . . 0.0 111.284 174.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.88 -53.36 59.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.376 0.671 . . . . 0.0 111.661 176.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.2 -52.42 65.38 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.225 0.61 . . . . 0.0 111.598 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -62.21 -27.34 68.91 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.25 -42.03 98.03 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.613 1.101 . . . . 0.0 113.42 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -70.98 -36.01 72.33 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 118.592 1.196 . . . . 0.0 111.195 173.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.97 -43.0 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.436 1.094 . . . . 0.0 111.856 174.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.78 -142.6 7.12 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.501 1.048 . . . . 0.0 114.568 175.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.72 -21.82 63.34 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -66.26 -10.91 46.78 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.344 1.058 . . . . 0.0 113.394 177.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.481 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -44.8 -48.22 10.94 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.88 1.272 . . . . 0.0 113.589 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.27 -36.12 92.39 Favored Glycine 0 N--CA 1.467 0.748 0 O-C-N 121.893 -0.505 . . . . 0.0 113.859 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.38 -46.51 83.0 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.395 1.078 . . . . 0.0 110.11 175.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -64.04 -36.2 83.23 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.75 0.82 . . . . 0.0 111.972 176.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.88 -46.36 82.66 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-N 118.67 0.668 . . . . 0.0 112.862 171.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.75 92.54 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.194 0.997 . . . . 0.0 111.602 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.97 -41.39 97.96 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 123.592 0.757 . . . . 0.0 111.86 173.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.18 -39.02 93.45 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.347 0.976 . . . . 0.0 112.671 176.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 45.5 mt -66.46 -50.83 62.01 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.632 1.173 . . . . 0.0 112.079 173.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -57.33 -45.59 84.12 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.363 -0.836 . . . . 0.0 111.786 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -47.47 79.95 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.18 1.792 . . . . 0.0 112.088 172.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 62.9 ttp -57.76 -49.64 75.92 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 118.69 0.677 . . . . 0.0 111.772 174.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -61.31 -40.25 93.5 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 pp -84.0 -29.63 26.81 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 66.2 m -68.65 -44.1 74.84 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.79 1.177 . . . . 0.0 112.316 170.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -127.58 81.28 70.46 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 125.89 1.676 . . . . 0.0 109.72 -174.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -50.1 -27.36 16.84 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.815 3.01 . . . . 0.0 115.193 175.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 2.2 p -51.92 -35.84 46.95 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.78 1.232 . . . . 0.0 113.122 170.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 69.7 p -64.33 -27.82 69.29 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -63.18 -37.26 86.54 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.619 1.099 . . . . 0.0 112.527 177.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.19 -32.27 73.79 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 121.179 -0.951 . . . . 0.0 113.016 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -62.81 -26.35 68.7 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -176.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -156.78 110.85 1.97 Allowed Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 123.446 0.699 . . . . 0.0 109.813 161.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -74.81 -133.77 0.01 OUTLIER 'Trans proline' 0 CA--C 1.549 1.253 0 C-N-CA 123.817 3.012 . . . . 0.0 109.552 171.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 p80 58.32 -11.85 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 127.579 2.352 . . . . 0.0 116.709 -174.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -72.29 114.95 10.95 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.523 1.929 . . . . 0.0 112.418 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -80.67 69.87 7.29 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.326 1.45 . . . . 0.0 111.148 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 36.8 mt -69.54 31.82 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.872 1.669 . . . . 0.0 114.836 -175.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 33.9 m -72.89 7.96 1.77 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.283 2.233 . . . . 0.0 114.962 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 12.5 m170 75.61 124.3 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 129.106 2.963 . . . . 0.0 112.657 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.92 2.04 59.64 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 124.909 1.243 . . . . 0.0 114.986 -175.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -53.98 117.01 2.87 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.835 2.054 . . . . 0.0 114.681 -170.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.72 -37.17 73.06 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.512 1.125 . . . . 0.0 113.373 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -68.17 -31.61 71.28 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 176.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 64.5 t -72.95 -48.34 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 119.897 1.226 . . . . 0.0 110.857 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -60.27 -41.92 94.29 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.338 0.517 . . . . 0.0 111.721 173.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.43 -48.67 80.44 Favored Glycine 0 N--CA 1.469 0.89 0 C-N-CA 124.168 0.889 . . . . 0.0 113.106 175.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -58.71 -43.05 90.0 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.868 1.334 . . . . 0.0 111.681 173.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.84 -50.69 49.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 121.437 -0.79 . . . . 0.0 113.581 170.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -55.06 -45.01 75.26 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.268 1.027 . . . . 0.0 112.201 172.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -63.6 -50.45 69.38 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.876 0.871 . . . . 0.0 112.512 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 80.6 t -54.74 -47.25 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.841 0.746 . . . . 0.0 110.859 174.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 63' ' ' ALA . . . . . 0.481 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -62.89 -41.29 99.37 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 178.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.96 -38.46 91.19 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.77 0.713 . . . . 0.0 111.394 175.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 65' ' ' ALA . . . . . 0.475 ' HB1' HD11 ' C' ' 83' ' ' LEU . . . -66.22 -30.35 70.78 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 169.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.46 -43.42 94.3 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.894 1.225 . . . . 0.0 111.001 167.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 29.8 m -58.8 -46.39 87.7 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 120.266 1.394 . . . . 0.0 112.662 170.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -30.58 69.96 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.002 -1.061 . . . . 0.0 112.941 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.79 -56.77 16.0 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.269 1.028 . . . . 0.0 110.441 163.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 71.4 t -53.14 -41.54 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.709 1.14 . . . . 0.0 112.674 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.64 -23.88 67.56 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -138.3 29.67 2.45 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.442 1.497 . . . . 0.0 111.87 -172.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 12.9 p -62.76 -30.18 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -162.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -78.02 -15.14 59.19 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 173.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.3 17.5 10.64 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.883 2.473 . . . . 0.0 111.053 -173.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 13.3 ttp -55.91 -29.53 5.91 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 126.359 1.864 . . . . 0.0 115.906 -170.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -50.05 23.39 0.02 OUTLIER 'Trans proline' 0 CA--C 1.553 1.426 1 C-N-CA 126.743 4.962 . . . . 0.0 119.09 161.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -150.18 -36.05 0.16 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.745 2.018 . . . . 0.0 111.014 169.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.77 -33.97 64.82 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 mt -96.83 7.6 46.24 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -175.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 67.3 m -55.47 -38.38 69.02 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 120.672 1.578 . . . . 0.0 114.601 -175.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.09 -32.84 73.43 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.913 -1.117 . . . . 0.0 112.677 172.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 83' ' ' LEU . . . . . 0.475 HD11 ' HB1' ' C' ' 65' ' ' ALA . 2.3 mt -79.78 -31.0 40.82 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.624 1.17 . . . . 0.0 111.206 179.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 45.1 t -54.82 -49.62 70.57 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 117.74 -1.124 . . . . 0.0 110.767 162.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -57.19 -36.69 71.13 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.45 1.477 . . . . 0.0 113.572 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -56.76 -62.23 1.88 Allowed 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.023 0.829 . . . . 0.0 110.853 170.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.57 -25.5 66.67 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -178.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.49 -33.2 16.04 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.926 1.239 . . . . 0.0 113.547 -173.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -135.19 2.79 3.08 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 -169.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -135.98 -18.2 1.6 Allowed 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 16.7 mt -141.23 -46.46 0.38 Allowed 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 116.539 2.051 . . . . 0.0 116.539 -172.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 46.46 32.62 1.65 Allowed 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 126.413 1.885 . . . . 0.0 115.708 -176.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 95.3 t -71.3 142.09 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.392 1.077 . . . . 0.0 111.93 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -58.65 131.74 85.74 Favored Pre-proline 0 CA--C 1.554 1.131 0 C-N-CA 125.051 1.34 . . . . 0.0 111.693 172.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -45.22 -19.84 0.4 Allowed 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.765 3.643 . . . . 0.0 116.793 173.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 10.2 p -47.92 -40.71 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 120.105 -1.622 . . . . 0.0 113.402 170.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -63.38 -33.9 76.56 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.198 -0.939 . . . . 0.0 112.379 174.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -57.98 -49.56 76.4 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.449 1.022 . . . . 0.0 109.316 173.345 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -57.89 -40.3 79.94 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.927 0.87 . . . . 0.0 110.978 -174.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.28 -51.12 62.83 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.653 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 52.4 tp -57.67 -48.05 80.58 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.644 -0.66 . . . . 0.0 112.666 176.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 88.1 p -63.58 -43.41 97.08 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.329 0.968 . . . . 0.0 111.681 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -58.51 -51.99 67.55 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.618 0.367 . . . . 0.0 110.633 172.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 92.7 m -60.49 -32.43 71.42 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 36.5 mt -68.5 -48.23 64.94 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.153 0.981 . . . . 0.0 111.809 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 18.1 mt -54.72 -40.57 69.37 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.488 -0.757 . . . . 0.0 110.64 173.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 76.2 t -63.52 -45.73 96.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.04 0.936 . . . . 0.0 112.877 174.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 19.6 p -67.57 -32.23 72.84 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 120.328 1.422 . . . . 0.0 112.446 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.75 -45.14 91.19 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.996 0.816 . . . . 0.0 111.082 169.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.06 -32.87 64.47 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.41 -12.24 61.45 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -128.56 -16.85 4.23 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -173.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.0 mp -114.38 124.49 30.64 Favored Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 124.969 1.308 . . . . 0.0 109.197 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -40.19 -61.03 0.49 Allowed 'Trans proline' 0 C--N 1.358 1.037 1 C-N-CA 125.789 4.326 . . . . 0.0 117.981 -159.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -132.62 40.96 3.23 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 125.321 1.448 . . . . 0.0 108.836 176.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -21.37 6.33 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -164.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -62.85 7.94 0.07 Allowed 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 165.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.82 149.87 5.77 Favored Pre-proline 0 N--CA 1.477 0.911 0 CA-C-N 120.856 1.662 . . . . 0.0 111.268 -178.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -48.95 -40.06 40.29 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.526 2.151 . . . . 0.0 114.784 173.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 120' ' ' ALA . . . . . 0.609 ' HB1' HD21 ' C' ' 9' ' ' ASN . . . -72.02 -60.21 2.35 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 174.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.93 -37.96 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 120.954 -1.091 . . . . 0.0 112.694 -169.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 122' ' ' HIS . . . . . 0.506 ' CE1' HG22 ' D' ' 34' ' ' VAL . 20.8 t-160 -78.36 -43.71 26.99 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.382 1.473 . . . . 0.0 113.57 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.32 -48.32 76.96 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 119.832 1.196 . . . . 0.0 109.438 172.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 29.3 m -53.74 -63.24 1.21 Allowed 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.572 0.749 . . . . 0.0 112.046 173.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 37.6 mt -61.12 -40.81 95.18 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 120.516 -1.365 . . . . 0.0 113.895 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -64.23 -48.73 74.69 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 120.29 1.404 . . . . 0.0 111.702 177.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -28.24 65.44 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.69 0.677 . . . . 0.0 112.721 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -67.95 -45.57 73.87 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.511 1.051 . . . . 0.0 111.501 169.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.11 -31.2 69.82 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.289 -1.507 . . . . 0.0 111.443 170.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.87 -30.8 65.8 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 172.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 78.9 p -78.71 -42.27 28.81 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.25 -1.531 . . . . 0.0 111.627 170.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 73.4 t -50.41 -54.53 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.659 1.183 . . . . 0.0 109.586 169.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 87.4 p -63.68 -46.71 84.3 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 1.9 m -48.34 -51.73 24.86 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.003 0.82 . . . . 0.0 110.657 173.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.13 -43.39 88.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 123.153 0.581 . . . . 0.0 111.535 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -31.96 65.49 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.928 0.891 . . . . 0.0 112.891 175.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 98.9 m -93.93 -7.97 41.48 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.3 2.24 . . . . 0.0 112.883 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.473 0.711 0 C-N-CA 125.162 1.385 . . . . 0.0 111.49 -171.35 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . 0.451 HG13 ' H ' ' D' ' 2' ' ' HIS 0.313 5.3 p . . . . . 0 N--CA 1.516 2.85 0 CA-C-O 117.004 -1.474 . . . . 0.0 112.95 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 2' ' ' HIS . . . . . 0.451 ' H ' HG13 ' D' ' 1' ' ' VAL . 44.4 m80 20.25 70.68 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 128.212 2.605 . . . . 0.0 115.355 -177.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.41 156.79 12.25 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.198 -177.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.49 147.25 83.35 Favored Pre-proline 0 N--CA 1.477 0.888 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.013 162.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -50.84 -38.46 57.45 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.909 2.406 . . . . 0.0 114.837 175.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -73.72 -36.03 65.16 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.907 0.776 . . . . 0.0 111.942 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -41.22 81.27 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.542 -0.724 . . . . 0.0 111.371 171.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -54.72 -51.3 66.05 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.682 170.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 45.8 m -55.34 -43.06 74.62 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.603 1.092 . . . . 0.0 112.185 174.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.38 -48.08 81.77 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 118.938 0.79 . . . . 0.0 112.966 177.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 3.6 p -69.31 -55.34 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 CA-C-N 119.494 1.043 . . . . 0.0 112.426 174.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -68.54 -34.74 76.39 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.708 -1.245 . . . . 0.0 112.715 -169.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.54 85.66 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.564 1.075 . . . . 0.0 112.127 174.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 tt -68.09 -35.4 78.11 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.33 -0.856 . . . . 0.0 111.008 172.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -32.12 71.94 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 167.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.53 -37.37 93.22 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.189 0.9 . . . . 0.0 114.099 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -90.42 -16.9 28.17 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.68 135.39 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.763 0.825 . . . . 0.0 112.65 -167.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -87.07 88.12 7.62 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.759 0.824 . . . . 0.0 109.17 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . 0.531 HG13 HD22 ' D' ' 68' ' ' LEU . 70.5 t -52.98 -38.87 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-N 119.553 1.069 . . . . 0.0 113.828 -170.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -45.42 76.69 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 118.97 0.804 . . . . 0.0 112.85 175.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -79.26 -52.8 7.65 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.874 -0.516 . . . . 0.0 110.848 -175.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.05 -30.76 48.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.414 0 C-N-CA 123.772 0.829 . . . . 0.0 111.897 175.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.46 -45.67 17.69 Favored Glycine 0 C--N 1.341 0.854 0 CA-C-N 119.304 0.956 . . . . 0.0 111.985 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.63 -45.08 97.04 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-N 118.021 0.911 . . . . 0.0 112.52 170.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.16 -29.41 68.28 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-O 118.039 -0.982 . . . . 0.0 112.136 174.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 27' ' ' ALA . . . . . 0.51 ' HA ' HG11 ' D' ' 113' ' ' VAL . . . -68.91 -62.32 1.43 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 121.268 1.849 . . . . 0.0 111.703 172.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 17.4 tp -64.06 -37.37 87.19 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.661 -0.649 . . . . 0.0 110.453 -176.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.695 ' O ' HG13 ' D' ' 33' ' ' VAL . . . -48.89 -62.75 4.34 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-O 118.18 -1.344 . . . . 0.0 111.985 161.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -50.5 -26.17 4.85 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 120.359 2.08 . . . . 0.0 114.305 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 tt -77.67 -51.25 10.9 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 120.562 1.528 . . . . 0.0 111.523 168.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . 0.408 ' HB3' HD11 ' D' ' 48' ' ' LEU . 5.1 mp -76.46 -9.04 58.35 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 120.885 -1.135 . . . . 0.0 113.115 -176.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 33' ' ' VAL . . . . . 0.695 HG13 ' O ' ' D' ' 29' ' ' GLY . 2.9 m -74.8 -26.58 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 119.846 1.203 . . . . 0.0 114.116 172.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 34' ' ' VAL . . . . . 0.506 HG22 ' CE1' ' C' ' 122' ' ' HIS . 0.3 OUTLIER -76.16 1.51 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 CA-C-N 119.947 1.249 . . . . 0.0 113.845 -166.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.31 42.34 1.25 Allowed Pre-proline 0 CA--C 1.556 1.199 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -162.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -73.89 164.24 35.07 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.451 2.101 . . . . 0.0 111.747 177.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -54.31 -32.96 57.76 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.406 1.082 . . . . 0.0 113.438 168.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 16.8 p -57.68 -20.53 34.48 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 120.558 -1.339 . . . . 0.0 113.661 173.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -60.01 -16.79 33.73 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 171.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.23 -41.78 19.1 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 121.468 1.94 . . . . 0.0 112.109 169.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -74.62 3.14 8.29 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -50.59 -23.07 2.31 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -50.49 -34.04 23.55 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 171.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.09 6.07 27.06 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 176.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -123.91 23.83 8.49 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.373 1.869 . . . . 0.0 111.284 -174.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.13 -97.34 0.03 OUTLIER Glycine 0 CA--C 1.538 1.517 0 C-N-CA 125.778 1.656 . . . . 0.0 116.137 168.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.81 -94.5 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 125.643 1.577 . . . . 0.0 112.681 -174.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 48' ' ' LEU . . . . . 0.408 HD11 ' HB3' ' D' ' 32' ' ' LEU . 10.2 tt 58.6 -23.44 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 129.187 2.995 . . . . 0.0 117.995 174.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 59.7 p -53.8 -17.15 2.13 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.597 2.359 . . . . 0.0 115.944 -175.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 13.3 p -135.29 159.62 71.11 Favored Pre-proline 0 N--CA 1.471 0.608 0 C-N-CA 125.709 1.604 . . . . 0.0 111.659 166.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.45 -50.17 11.62 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.454 2.77 . . . . 0.0 114.535 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.24 -34.77 75.69 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.534 -0.729 . . . . 0.0 112.072 176.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.19 70.67 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 118.272 -0.87 . . . . 0.0 111.511 176.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 1.3 p -58.78 -31.65 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 CA-C-N 121.303 1.865 . . . . 0.0 114.239 -174.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 6.1 ptp -90.56 -17.94 26.09 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 177.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.79 -14.07 55.7 Favored Glycine 0 CA--C 1.54 1.649 0 C-N-CA 124.216 0.912 . . . . 0.0 114.439 170.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -65.23 120.9 71.32 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 127.014 2.126 . . . . 0.0 113.381 -173.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -63.4 -32.5 71.61 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.815 2.344 . . . . 0.0 112.764 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -70.43 -38.94 74.63 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.969 0.907 . . . . 0.0 112.301 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.82 -41.84 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.528 -0.733 . . . . 0.0 111.077 171.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -66.07 -43.88 86.1 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.479 1.036 . . . . 0.0 111.672 175.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.53 -50.37 72.96 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.799 1.181 . . . . 0.0 113.33 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -64.5 -35.86 82.33 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 120.837 -1.165 . . . . 0.0 111.707 173.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.52 -48.51 83.94 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 124.415 1.007 . . . . 0.0 112.716 173.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -58.35 -39.02 78.37 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.496 1.118 . . . . 0.0 111.977 171.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -66.8 -52.94 38.05 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.236 1.015 . . . . 0.0 113.471 175.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 4.4 m -59.94 -38.57 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 120.2 1.364 . . . . 0.0 111.633 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . 0.531 HD22 HG13 ' D' ' 20' ' ' VAL . 7.0 tt -69.08 -45.06 71.25 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.281 -0.887 . . . . 0.0 111.912 175.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.74 -41.66 75.77 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 124.884 1.231 . . . . 0.0 112.022 177.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.08 -46.18 90.21 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 171.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -55.97 -41.46 74.8 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 119.628 1.104 . . . . 0.0 112.134 170.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -63.8 -44.08 94.36 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.181 0.993 . . . . 0.0 112.138 176.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.18 -30.21 66.25 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.602 1.161 . . . . 0.0 112.027 170.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.51 -63.19 5.45 Favored Glycine 0 C--N 1.341 0.83 0 C-N-CA 124.864 1.221 . . . . 0.0 110.733 168.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.4 -32.18 62.45 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.776 1.288 . . . . 0.0 113.87 177.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.72 -28.9 68.05 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 173.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -142.82 44.95 1.59 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.43 1.492 . . . . 0.0 113.244 -169.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.68 -19.57 58.79 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.699 -1.25 . . . . 0.0 114.029 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.93 -40.54 22.31 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.648 1.979 . . . . 0.0 113.927 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -157.16 134.48 10.49 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.333 1.053 . . . . 0.0 111.204 169.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 47.5 mt -104.2 -43.43 5.24 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.472 0.709 . . . . 0.0 112.201 -173.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -57.55 -24.9 58.75 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.507 1.523 . . . . 0.0 113.954 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.79 4.0 59.19 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 126.216 1.865 . . . . 0.0 115.554 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.25 -19.85 5.42 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 119.1 1.45 . . . . 0.0 113.376 173.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -106.71 13.17 28.38 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.668 1.187 . . . . 0.0 113.966 174.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.34 -40.2 64.71 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.833 1.197 . . . . 0.0 113.754 -177.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 6.2 p -64.39 -42.43 96.13 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.315 1.046 . . . . 0.0 112.666 173.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 15.5 mt -70.13 -32.7 70.83 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.615 -0.678 . . . . 0.0 111.95 175.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 7.3 t -63.08 -46.49 87.18 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.999 0.92 . . . . 0.0 111.359 172.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.83 -37.78 88.15 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.112 -0.992 . . . . 0.0 112.716 171.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.71 -56.59 18.03 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.489 -1.382 . . . . 0.0 111.9 174.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -74.07 -21.8 59.78 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -174.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 38.2 t -97.58 -53.39 3.45 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 174.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -85.63 -38.72 18.09 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.669 1.577 . . . . 0.0 113.254 -171.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -85.37 -28.65 25.03 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 77.2 mt -119.42 -39.7 2.86 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -174.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 50.89 18.16 0.49 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 127.683 2.393 . . . . 0.0 116.348 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 1.2 m -52.16 140.96 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.931 1.692 . . . . 0.0 112.675 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.0 136.24 96.59 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-O 119.091 -0.481 . . . . 0.0 112.239 -175.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -48.67 -35.42 29.81 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 124.235 3.29 . . . . 0.0 116.673 -175.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -50.12 -30.54 11.35 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.286 -1.509 . . . . 0.0 113.279 173.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -62.79 -37.73 87.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.295 1.038 . . . . 0.0 111.548 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 103' ' ' PHE . . . . . 0.472 ' CD1' ' HB1' ' D' ' 138' ' ' ALA . 0.4 OUTLIER -61.55 -46.18 91.01 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.601 1.091 . . . . 0.0 110.628 172.808 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 104' ' ' ARG . . . . . 0.408 ' N ' ' CD1' ' D' ' 103' ' ' PHE . 8.3 tpm_? -64.73 -36.96 85.97 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.974 0.909 . . . . 0.0 110.101 -173.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.78 -47.54 85.85 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.09 0.956 . . . . 0.0 112.007 170.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -38.19 85.53 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.581 1.082 . . . . 0.0 111.355 176.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 107' ' ' GLY . . . . . 0.419 ' O ' HG13 ' D' ' 111' ' ' VAL . . . -64.05 -54.44 30.4 Favored Glycine 0 N--CA 1.464 0.507 0 O-C-N 121.569 -0.707 . . . . 0.0 113.227 174.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -58.11 -31.99 67.67 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 121.96 0.886 . . . . 0.0 111.557 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 6.8 t -63.67 -57.06 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 120.85 -1.156 . . . . 0.0 112.008 167.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 48.3 tp -56.43 -45.46 80.75 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.383 0.992 . . . . 0.0 111.803 -177.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 111' ' ' VAL . . . . . 0.675 HG12 ' HB3' ' D' ' 130' ' ' TYR . 2.6 m -61.59 -26.76 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 121.447 -0.783 . . . . 0.0 112.45 178.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 20.1 t -94.2 -35.08 12.65 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 -172.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 113' ' ' VAL . . . . . 0.51 HG11 ' HA ' ' D' ' 27' ' ' ALA . 0.2 OUTLIER -55.88 -38.52 52.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 CA-C-N 120.213 1.37 . . . . 0.0 110.246 167.269 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 35.7 mt -63.93 -43.45 95.85 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 118.177 0.444 . . . . 0.0 111.405 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.1 -21.93 65.39 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 170.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -60.06 2.49 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.247 0.93 . . . . 0.0 111.01 167.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -25.81 66.57 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.564 0.62 . . . . 0.0 112.537 -170.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -129.87 39.14 3.73 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.0 1.72 . . . . 0.0 110.32 -175.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -48.97 -40.49 27.59 Favored Glycine 0 N--CA 1.475 1.257 0 C-N-CA 125.145 1.355 . . . . 0.0 114.584 178.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -9.7 5.06 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 171.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -134.82 11.25 3.66 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.225 1.81 . . . . 0.0 113.052 -176.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.16 27.1 0.06 Allowed 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 -168.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 19.2 p -43.54 144.82 1.23 Allowed Pre-proline 0 N--CA 1.486 1.328 0 CA-C-N 120.292 1.405 . . . . 0.0 114.182 -159.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -41.91 -47.35 6.54 Favored 'Trans proline' 0 CA--C 1.547 1.125 0 C-N-CA 122.835 2.357 . . . . 0.0 115.389 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.47 -23.7 31.84 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 121.828 1.685 . . . . 0.0 115.26 173.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -47.93 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 121.194 1.816 . . . . 0.0 110.397 173.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -64.44 -43.83 93.05 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.311 -0.868 . . . . 0.0 111.435 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.57 -32.65 69.13 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.463 0.705 . . . . 0.0 112.581 174.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.56 -52.29 22.66 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.577 0.751 . . . . 0.0 110.448 176.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 130' ' ' TYR . . . . . 0.675 ' HB3' HG12 ' D' ' 111' ' ' VAL . 45.0 m-85 -53.66 -46.78 70.7 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.013 0.525 . . . . 0.0 112.043 172.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -59.97 -39.09 84.45 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 117.837 -1.077 . . . . 0.0 112.961 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.22 -40.08 90.05 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 120.376 1.444 . . . . 0.0 113.329 172.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 17.8 t -65.92 -47.29 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 CA-C-N 119.616 1.098 . . . . 0.0 111.024 174.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.64 -40.84 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.27 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.86 -44.68 86.75 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.934 1.243 . . . . 0.0 111.185 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.96 -54.54 36.66 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 121.846 -0.534 . . . . 0.0 113.007 171.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.76 -44.35 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 118.384 1.092 . . . . 0.0 110.361 -177.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 138' ' ' ALA . . . . . 0.472 ' HB1' ' CD1' ' D' ' 103' ' ' PHE . . . -64.92 -42.0 95.07 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.728 1.211 . . . . 0.0 113.222 176.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -64.44 -19.48 65.57 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.367 0.985 . . . . 0.0 112.403 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.98 -42.28 24.23 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.058 -1.026 . . . . 0.0 111.905 165.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.32 -27.75 69.26 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 120.497 -1.377 . . . . 0.0 112.836 174.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -75.06 -15.55 60.62 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.415 1.886 . . . . 0.0 114.072 172.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -52.76 -44.74 66.7 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 120.794 1.634 . . . . 0.0 114.175 -173.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -69.14 -14.87 63.24 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 174.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -102.3 -19.52 14.99 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 126.701 2.0 . . . . 0.0 113.2 178.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . 0.28 0.2 OUTLIER . . . . . 0 C--O 1.254 1.33 0 C-N-CA 128.718 2.807 . . . . 0.0 115.028 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.509 2.495 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.5 mt -137.5 -176.86 4.55 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 119.946 -1.722 . . . . 0.0 111.126 -169.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.95 167.83 16.44 Favored Pre-proline 0 N--CA 1.487 1.375 0 C-N-CA 124.691 1.196 . . . . 0.0 112.718 -176.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.53 -50.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.272 1.981 . . . . 0.0 114.525 -169.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.25 -35.14 73.6 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -169.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -63.5 -37.71 88.33 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.127 -0.983 . . . . 0.0 112.341 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -59.17 -42.44 90.81 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.718 1.145 . . . . 0.0 111.945 173.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.8 m -59.39 -40.66 87.3 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.045 0.538 . . . . 0.0 111.12 174.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -67.96 -36.91 80.87 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.758 -0.588 . . . . 0.0 112.206 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.7 t -61.08 -48.07 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 119.435 1.016 . . . . 0.0 111.244 169.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.14 -44.29 97.56 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.669 0.668 . . . . 0.0 111.812 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.42 -52.96 63.41 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.427 0.691 . . . . 0.0 111.448 174.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.79 -53.82 52.04 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.14 0.976 . . . . 0.0 112.546 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.2 t-105 -63.39 -30.04 71.24 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.327 -0.858 . . . . 0.0 112.919 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.73 -36.68 90.62 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.456 1.027 . . . . 0.0 113.221 169.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -73.95 -36.81 64.66 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 118.456 1.128 . . . . 0.0 111.468 172.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.34 -54.4 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.777 0.831 . . . . 0.0 111.268 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.13 -128.06 4.41 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.336 0.97 . . . . 0.0 113.863 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.07 -22.44 50.37 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -72.31 -7.0 47.17 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.79 -44.2 63.35 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.789 -1.194 . . . . 0.0 112.772 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.04 -46.07 94.8 Favored Glycine 0 N--CA 1.469 0.895 0 C-N-CA 123.812 0.72 . . . . 0.0 113.829 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -67.86 -36.93 81.16 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.491 1.145 . . . . 0.0 112.05 177.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -66.86 -37.59 84.74 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.071 -1.018 . . . . 0.0 112.585 173.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.67 -44.01 90.62 Favored Glycine 0 CA--C 1.532 1.139 0 O-C-N 121.098 -1.001 . . . . 0.0 112.286 173.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.72 -50.67 71.5 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.161 0.984 . . . . 0.0 110.971 174.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -65.26 -24.77 67.41 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.092 0.957 . . . . 0.0 113.331 177.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.36 -38.6 49.81 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.499 1.045 . . . . 0.0 111.821 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.4 mt -60.93 -44.05 97.79 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.505 0.722 . . . . 0.0 110.727 169.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -61.09 -49.56 76.82 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.351 0.66 . . . . 0.0 112.203 173.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -60.46 -36.88 79.29 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.654 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.8 ttp -55.38 -52.23 64.23 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.947 1.249 . . . . 0.0 111.349 169.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -55.97 27.87 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.02 0.373 . . . . 0.0 111.648 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.11 -29.68 69.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.625 0.648 . . . . 0.0 112.025 -173.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.68 ' HA ' ' HB2' ' B' ' 128' ' ' ALA . 8.2 t -72.31 -24.11 61.27 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 177.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -150.86 67.35 7.8 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 123.799 0.84 . . . . 0.0 110.247 -172.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -51.28 -27.8 24.44 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 123.808 3.005 . . . . 0.0 115.329 -171.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.43 -33.8 14.97 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.758 1.623 . . . . 0.0 114.39 172.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.5 p -70.9 -17.99 62.69 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 120.901 1.682 . . . . 0.0 114.295 175.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -57.73 -31.05 66.05 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 120.771 1.623 . . . . 0.0 112.958 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 t -73.21 -18.22 61.27 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.763 1.024 . . . . 0.0 113.763 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -32.76 74.36 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 120.695 -1.253 . . . . 0.0 112.208 177.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -147.97 78.01 9.86 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 125.656 1.582 . . . . 0.0 111.443 175.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -77.68 -0.9 11.08 Favored 'Trans proline' 0 CA--C 1.548 1.195 0 C-N-CA 123.653 2.902 . . . . 0.0 114.383 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.03 0.17 0.43 Allowed 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 -176.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.93 147.61 42.51 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.248 1.419 . . . . 0.0 112.824 -176.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -76.93 152.06 35.47 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.485 0.714 . . . . 0.0 110.401 167.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -154.45 13.87 0.43 Allowed 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 -174.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -86.63 56.41 3.99 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.119 1.368 . . . . 0.0 112.921 -173.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 68.97 118.18 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 127.566 2.346 . . . . 0.0 113.623 -177.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.33 14.08 74.99 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 121.242 -0.911 . . . . 0.0 115.064 174.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 t -58.49 133.61 55.95 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.338 1.055 . . . . 0.0 112.921 178.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.66 -27.67 68.85 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 173.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -80.64 -40.25 25.94 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.615 -0.678 . . . . 0.0 111.688 175.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.3 t -66.22 -34.01 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 121.463 -0.773 . . . . 0.0 111.794 175.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -59.87 -38.19 81.46 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 120.004 1.275 . . . . 0.0 112.718 174.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.77 -53.19 6.57 Favored Glycine 0 N--CA 1.47 0.922 0 C-N-CA 124.351 0.976 . . . . 0.0 111.854 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.36 -33.8 68.15 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.761 -0.847 . . . . 0.0 112.117 175.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -61.73 -50.66 63.81 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 125.034 1.302 . . . . 0.0 113.801 170.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -56.77 -36.13 69.46 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 118.958 1.379 . . . . 0.0 113.232 170.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -66.28 -51.76 54.26 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.005 0.82 . . . . 0.0 112.889 173.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 77.8 t -56.78 -43.35 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 CA-C-N 119.42 1.009 . . . . 0.0 111.093 173.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.57 80.78 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.133 0.973 . . . . 0.0 113.237 174.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.98 -38.82 87.34 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.96 0.8 . . . . 0.0 112.228 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.49 94.21 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 170.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.18 -44.89 88.23 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 118.818 -0.61 . . . . 0.0 111.581 172.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.9 m -57.28 -49.27 76.59 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.702 1.137 . . . . 0.0 111.9 172.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -21.93 65.52 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 120.089 1.313 . . . . 0.0 113.03 177.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.23 -51.9 18.87 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 119.472 1.033 . . . . 0.0 110.418 167.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.1 t -54.55 -46.94 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.821 1.191 . . . . 0.0 111.543 177.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.38 -21.43 50.2 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.024 1.329 . . . . 0.0 113.961 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -143.24 35.67 1.35 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.564 1.146 . . . . 0.0 111.214 -176.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.05 -23.77 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 119.602 -1.936 . . . . 0.0 116.001 -162.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -119.1 27.48 8.82 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.61 1.164 . . . . 0.0 112.402 170.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -153.68 29.02 0.48 Allowed 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 129.339 3.055 . . . . 0.0 111.661 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.9 ptt? -101.22 18.07 0.05 OUTLIER Pre-proline 0 N--CA 1.482 1.132 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 -176.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -64.86 -41.59 17.48 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 CA-C-N 123.459 2.271 . . . . 0.0 113.743 -161.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -84.82 -19.37 32.6 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.127 0.971 . . . . 0.0 112.909 171.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.43 -10.0 52.31 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -173.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.0 mt -107.39 5.26 27.19 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 120.958 -1.088 . . . . 0.0 112.984 168.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.6 m -59.37 -35.05 73.18 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.572 -1.33 . . . . 0.0 113.344 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.23 -16.22 42.84 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 172.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mt -97.29 -38.6 9.6 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.336 1.454 . . . . 0.0 110.68 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.5 t -52.21 -42.57 63.66 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.571 1.148 . . . . 0.0 111.418 161.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.64 -53.83 41.62 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.673 1.189 . . . . 0.0 111.949 170.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -54.52 -53.31 56.14 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.319 0.963 . . . . 0.0 110.983 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -52.89 -43.52 66.23 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.84 1.256 . . . . 0.0 113.607 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.8 -31.91 14.18 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -174.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -84.57 -45.47 12.53 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.169 0.988 . . . . 0.0 112.837 -175.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -147.66 52.34 1.05 Allowed 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -178.407 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.37 -62.08 0.84 Allowed 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.391 -0.818 . . . . 0.0 111.158 169.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 57.32 18.27 4.23 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 124.661 1.184 . . . . 0.0 113.623 -175.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.3 t -83.14 143.04 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 126.582 1.953 . . . . 0.0 111.655 -173.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -58.78 143.3 82.89 Favored Pre-proline 0 CA--C 1.55 0.978 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 172.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -50.73 -16.99 2.7 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 124.311 3.341 . . . . 0.0 116.574 173.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.8 p -47.92 -41.01 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 119.735 1.152 . . . . 0.0 112.995 171.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -65.36 -34.08 77.48 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.429 -0.796 . . . . 0.0 112.565 175.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -59.34 -51.81 68.32 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 119.625 1.102 . . . . 0.0 109.104 170.056 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -55.83 -51.71 66.54 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.333 0.587 . . . . 0.0 109.899 -175.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.3 mt -58.85 -50.1 75.25 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 124.006 0.922 . . . . 0.0 112.2 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.53 -41.46 93.07 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.83 1.195 . . . . 0.0 112.61 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.9 m -66.0 -46.05 79.36 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.167 1.349 . . . . 0.0 112.886 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -61.21 -43.81 98.28 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.505 1.048 . . . . 0.0 111.233 173.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 91.1 m -67.25 -34.12 76.78 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.196 -0.94 . . . . 0.0 113.489 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.4 mt -64.55 -47.12 79.93 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.042 1.292 . . . . 0.0 111.174 170.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.7 mt -53.91 -42.59 68.91 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 121.69 -0.631 . . . . 0.0 111.381 171.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 37.1 t -69.35 -38.12 76.81 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 117.749 -1.119 . . . . 0.0 113.593 177.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.6 p -73.05 -39.37 65.99 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 121.839 2.108 . . . . 0.0 112.477 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.73 -59.32 5.19 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 167.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -47.65 -47.21 29.39 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.8 -20.02 59.95 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 -174.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -131.17 -16.36 3.17 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -172.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.1 75.63 53.44 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 129.891 3.277 . . . . 0.0 106.995 170.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -44.62 146.03 2.4 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.879 3.053 . . . . 0.0 114.413 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.41 16.91 0.05 Allowed 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 176.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 52.01 19.02 0.92 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.931 2.092 . . . . 0.0 114.208 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.6 p90 44.2 8.41 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 128.997 2.919 . . . . 0.0 117.207 -166.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.0 144.03 81.7 Favored Pre-proline 0 N--CA 1.478 0.93 0 O-C-N 120.513 -1.367 . . . . 0.0 111.547 -176.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -64.34 -33.34 59.19 Favored 'Trans proline' 0 CA--C 1.536 0.59 0 C-N-CA 122.519 2.146 . . . . 0.0 112.422 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.0 -39.45 72.4 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.519 -0.738 . . . . 0.0 112.423 176.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.5 t -71.63 -38.65 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-N 119.879 1.218 . . . . 0.0 111.293 174.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -61.84 -34.39 75.88 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.248 -0.908 . . . . 0.0 113.235 172.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.27 -57.14 9.19 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.495 0.589 . . . . 0.0 110.151 165.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.4 p -58.62 -55.45 34.9 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 117.687 -1.149 . . . . 0.0 113.445 -165.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.34 -43.69 97.01 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 120.11 1.323 . . . . 0.0 112.203 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.18 -51.34 31.89 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.163 0.585 . . . . 0.0 111.387 -175.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -35.84 74.63 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.063 0.545 . . . . 0.0 111.321 169.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -67.61 -44.82 77.15 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 119.701 1.137 . . . . 0.0 111.129 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.86 -28.97 68.77 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 120.465 1.484 . . . . 0.0 111.595 173.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.26 97.13 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 118.131 -0.938 . . . . 0.0 113.243 166.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 94.1 p -76.55 -35.49 58.21 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 121.535 1.971 . . . . 0.0 113.795 176.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 95.8 t -54.66 -53.59 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 119.495 1.043 . . . . 0.0 108.963 165.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.0 t -52.39 -60.34 3.34 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.907 173.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 28.4 m -51.4 -47.71 62.85 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 117.893 -1.051 . . . . 0.0 112.554 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 81.5 t -70.93 -38.48 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-N 120.417 1.462 . . . . 0.0 111.972 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.84 -41.74 78.45 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 120.27 1.395 . . . . 0.0 110.312 168.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 69.9 p -92.06 31.16 1.3 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.058 1.743 . . . . 0.0 113.596 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 CA--C 1.545 0.784 0 O-C-N 120.443 -1.41 . . . . 0.0 111.285 175.819 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.315 7.4 p . . . . . 0 N--CA 1.511 2.604 0 CA-C-O 117.58 -1.2 . . . . 0.0 112.979 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 5.2 t60 35.18 74.03 0.07 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.075 2.15 . . . . 0.0 115.58 178.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 68.3 mt -54.43 122.54 10.69 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.318 -0.864 . . . . 0.0 111.37 176.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 63.6 m -52.55 132.47 45.24 Favored Pre-proline 0 N--CA 1.478 0.968 0 CA-C-O 117.291 -1.338 . . . . 0.0 109.523 168.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -48.72 -41.62 37.88 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.445 2.764 . . . . 0.0 116.602 -171.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.41 -36.81 79.63 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.297 -0.877 . . . . 0.0 112.382 176.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.11 -39.54 75.42 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.434 -0.791 . . . . 0.0 111.926 172.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.13 -47.21 78.59 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 117.526 -1.225 . . . . 0.0 110.386 167.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.0 t -56.8 -47.04 81.13 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.897 1.226 . . . . 0.0 111.611 175.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.87 -57.28 11.52 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.499 1.12 . . . . 0.0 113.826 177.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.527 HG23 ' CE1' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -70.96 -49.83 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 119.107 0.867 . . . . 0.0 111.555 176.864 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -66.42 -35.53 80.54 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.807 1.185 . . . . 0.0 112.154 -167.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.84 -38.01 87.75 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.463 1.029 . . . . 0.0 112.459 172.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 tt -70.46 -35.05 73.1 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.364 -0.835 . . . . 0.0 111.377 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -36.57 75.36 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.44 1.096 . . . . 0.0 112.9 166.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.46 -41.45 98.63 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.799 1.19 . . . . 0.0 113.957 175.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -87.3 -16.91 33.74 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.13 131.21 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.939 1.296 . . . . 0.0 111.814 -178.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -88.33 77.71 8.13 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.596 1.158 . . . . 0.0 109.861 -177.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 62.0 t -49.84 -38.89 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 124.731 1.212 . . . . 0.0 113.731 -169.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -13.57 62.37 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.894 1.278 . . . . 0.0 114.045 -178.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -124.87 -50.03 1.72 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.916 1.286 . . . . 0.0 111.198 -176.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.85 -29.56 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.107 -0.996 . . . . 0.0 112.846 173.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.65 -40.01 11.42 Favored Glycine 0 N--CA 1.47 0.958 0 O-C-N 121.344 -0.848 . . . . 0.0 112.715 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.96 -43.06 99.87 Favored Glycine 0 N--CA 1.476 1.321 0 CA-C-N 118.131 0.966 . . . . 0.0 112.02 169.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -56.57 -56.54 20.0 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 124.42 1.088 . . . . 0.0 111.13 166.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.51 94.55 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 121.351 1.887 . . . . 0.0 114.344 -175.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 tp -69.51 -49.74 51.78 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.096 0.862 . . . . 0.0 111.745 176.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.63 -39.62 96.79 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-N 118.263 0.483 . . . . 0.0 112.232 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -54.52 -45.73 73.41 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 117.133 -1.413 . . . . 0.0 112.01 172.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.26 -49.06 17.8 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.918 1.236 . . . . 0.0 112.12 -177.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.498 ' H ' HD22 ' B' ' 32' ' ' LEU . 2.3 mm? -62.53 -44.39 96.47 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.983 0.913 . . . . 0.0 112.706 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -78.14 -27.87 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 O-C-N 121.408 -0.808 . . . . 0.0 112.576 -177.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 19.2 t -67.77 -46.44 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 126.663 1.985 . . . . 0.0 111.049 175.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -133.74 83.75 46.64 Favored Pre-proline 0 CA--C 1.541 0.611 0 C-N-CA 124.61 1.164 . . . . 0.0 110.483 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -50.18 -18.65 3.51 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 124.613 3.542 . . . . 0.0 117.091 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 -60.26 -33.73 72.72 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.129 1.331 . . . . 0.0 112.945 170.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 73.9 p -62.96 -20.84 65.63 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 15.6 tm0? -53.42 -30.75 41.95 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.976 0.91 . . . . 0.0 113.136 167.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -60.02 -15.71 24.91 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 120.84 1.654 . . . . 0.0 114.339 175.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -108.82 1.61 21.05 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.989 1.716 . . . . 0.0 113.344 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -53.33 59.47 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.156 1.344 . . . . 0.0 112.513 -173.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 26.13 5.15 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.392 1 C-N-CA 134.585 5.154 . . . . 0.0 120.677 -176.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -162.48 -28.43 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.928 2.091 . . . . 0.0 113.007 -169.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -52.36 -32.55 38.88 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 176.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.56 159.51 17.32 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.859 1.218 . . . . 0.0 114.891 175.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 49.5 t0 42.5 -98.53 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 127.028 2.131 . . . . 0.0 114.078 -173.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 47.59 9.93 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 118.972 2.953 . . . . 0.0 118.972 176.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -57.71 -22.18 44.85 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -172.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 69.3 p -134.54 162.45 57.66 Favored Pre-proline 0 N--CA 1.471 0.586 0 C-N-CA 126.205 1.802 . . . . 0.0 110.573 171.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -50.06 -40.72 50.25 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.104 2.536 . . . . 0.0 114.263 167.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -62.75 -44.51 96.01 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.482 0.713 . . . . 0.0 111.795 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.86 -45.02 94.52 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.616 0.766 . . . . 0.0 112.796 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -66.21 -37.65 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 O-C-N 120.988 -1.07 . . . . 0.0 112.781 -177.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 3.0 ttm -79.64 -12.93 59.81 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.69 -21.86 10.04 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.074 1.321 . . . . 0.0 115.11 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -55.16 117.15 13.4 Favored Pre-proline 0 CA--C 1.554 1.13 0 CA-C-N 119.221 1.51 . . . . 0.0 111.893 177.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -51.35 -40.28 62.08 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 124.072 3.181 . . . . 0.0 115.159 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -26.16 61.53 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.038 -1.038 . . . . 0.0 112.514 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 97.7 t -69.13 -33.4 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 119.488 1.04 . . . . 0.0 111.456 169.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -64.71 -44.81 89.04 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.457 1.481 . . . . 0.0 111.746 168.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.08 -49.42 77.72 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 118.776 0.717 . . . . 0.0 112.804 174.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -67.12 -28.29 68.03 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.691 -1.255 . . . . 0.0 112.195 174.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.73 -49.07 82.52 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 125.815 1.674 . . . . 0.0 113.094 168.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -58.55 -40.19 82.32 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.992 -0.711 . . . . 0.0 111.564 168.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -63.77 -51.82 63.11 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.326 1.05 . . . . 0.0 112.639 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 13.1 p -62.51 -46.62 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 119.273 0.942 . . . . 0.0 112.317 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 tt -69.39 -37.38 77.49 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.508 -0.745 . . . . 0.0 110.866 177.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.8 -43.92 48.24 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 125.262 1.41 . . . . 0.0 112.718 170.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.67 80.41 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 118.733 1.266 . . . . 0.0 112.428 172.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -59.01 -37.02 75.93 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.285 -1.51 . . . . 0.0 113.279 172.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.3 t -67.86 -43.92 78.31 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.978 1.311 . . . . 0.0 112.884 175.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -56.59 -37.42 70.61 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.998 0.919 . . . . 0.0 111.225 168.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.16 -57.61 18.29 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 123.429 0.538 . . . . 0.0 112.294 170.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.7 mt -57.94 -24.26 57.16 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 176.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.47 -19.73 27.58 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.573 1.549 . . . . 0.0 114.824 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -141.19 41.04 1.78 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.688 1.595 . . . . 0.0 112.764 -172.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 95.8 mt -55.8 -19.19 10.49 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 120.634 -1.291 . . . . 0.0 114.222 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -52.69 -42.06 64.45 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.816 1.646 . . . . 0.0 113.186 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -153.73 113.49 3.85 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.691 1.596 . . . . 0.0 110.212 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 88.5 mt -94.32 2.43 55.84 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.253 1.021 . . . . 0.0 113.453 176.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -87.21 -53.24 4.95 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.525 -1.359 . . . . 0.0 112.443 -174.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.18 -36.77 71.71 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.605 0.622 . . . . 0.0 113.467 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.8 p -69.31 -12.64 61.83 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.231 1.813 . . . . 0.0 114.486 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -130.03 9.65 5.33 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.191 1.396 . . . . 0.0 112.912 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.37 -34.51 70.77 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 -170.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 21.9 p -65.81 -39.31 90.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.996 0.918 . . . . 0.0 112.018 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 53.0 mt -73.65 -40.77 63.49 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.755 1.222 . . . . 0.0 111.638 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 98.6 p -64.43 -41.52 96.54 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.781 1.173 . . . . 0.0 111.445 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.2 -48.57 79.94 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.382 0.673 . . . . 0.0 112.67 170.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.6 tp -51.27 -55.16 19.69 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.645 0.778 . . . . 0.0 111.828 173.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -74.72 -31.04 61.73 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.096 -1.003 . . . . 0.0 113.329 -173.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 85.2 m -78.66 -39.03 38.05 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.6 1.091 . . . . 0.0 113.799 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -107.65 -24.49 11.72 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -169.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -24.86 19.76 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 174.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 32.0 mt -128.23 -44.81 1.4 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.515 1.126 . . . . 0.0 113.585 -172.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 15.2 t60 55.97 22.32 5.69 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 127.659 2.383 . . . . 0.0 116.39 -176.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 23.9 m -61.13 154.23 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 120.733 -1.229 . . . . 0.0 112.595 173.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.03 157.58 86.8 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 127.9 2.48 . . . . 0.0 113.08 -176.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.02 -41.24 40.62 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 124.646 3.564 . . . . 0.0 115.204 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -61.07 -30.11 70.14 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.923 -1.11 . . . . 0.0 113.13 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -62.7 -41.02 98.91 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.13 0.877 . . . . 0.0 111.388 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -65.49 -46.78 78.38 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.557 0.743 . . . . 0.0 110.325 174.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -55.45 -43.8 75.75 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.076 0.55 . . . . 0.0 110.961 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 34.9 mt -58.37 -45.08 88.92 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.015 1.326 . . . . 0.0 113.431 175.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 tt -58.88 -46.58 87.51 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.593 1.088 . . . . 0.0 110.534 173.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.12 -38.44 95.58 Favored Glycine 0 CA--C 1.534 1.277 0 O-C-N 121.107 -0.996 . . . . 0.0 113.929 174.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -63.44 -39.93 95.79 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.652 1.226 . . . . 0.0 111.803 174.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.54 -54.21 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.447 -0.783 . . . . 0.0 110.708 167.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 45.9 tp -50.98 -53.57 32.05 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.375 1.07 . . . . 0.0 111.944 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 24.7 m -60.03 -35.73 62.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 118.928 0.785 . . . . 0.0 112.564 177.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 24.3 t -64.3 -38.27 90.45 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.784 0.72 . . . . 0.0 111.719 178.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 1.9 m -67.93 -43.69 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.05 -1.031 . . . . 0.0 111.46 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -38.43 84.44 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.585 -0.697 . . . . 0.0 111.595 172.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.66 -21.44 62.8 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.146 0.884 . . . . 0.0 112.895 172.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -63.11 1.46 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.493 0.717 . . . . 0.0 111.559 166.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -66.4 -27.43 67.84 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 119.568 1.077 . . . . 0.0 113.753 -170.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -114.58 28.13 8.95 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.185 1.794 . . . . 0.0 111.072 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.87 -36.92 51.65 Favored Glycine 0 N--CA 1.472 1.085 0 C-N-CA 124.763 1.173 . . . . 0.0 115.396 -175.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -65.39 -7.18 12.6 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.531 1.533 . . . . 0.0 114.66 173.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -126.27 22.73 7.12 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.173 1.789 . . . . 0.0 111.949 -168.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -59.65 80.62 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 127.299 2.24 . . . . 0.0 113.922 175.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.92 148.59 87.67 Favored Pre-proline 0 N--CA 1.482 1.133 0 O-C-N 120.231 -1.543 . . . . 0.0 111.588 176.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . 0.448 ' CB ' ' HD3' ' B' ' 125' ' ' PRO 0.364 12.5 Cg_exo -33.37 -93.54 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 2.011 1 C-N-CA 126.865 5.043 . . . . 0.0 118.199 -173.191 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . 0.448 ' HD3' ' CB ' ' B' ' 124' ' ' PRO . 70.6 Cg_exo -70.13 17.82 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 CA-C-N 124.576 2.67 . . . . 0.0 118.585 169.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 2.4 p -53.91 -42.96 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-N 123.261 2.755 . . . . 0.0 113.871 -167.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -64.16 -41.36 97.17 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.245 -0.909 . . . . 0.0 111.802 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . 0.68 ' HB2' ' HA ' ' A' ' 35' ' ' SER . . . -60.74 -46.14 91.58 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.437 1.095 . . . . 0.0 111.789 174.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.67 95.95 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.288 1.035 . . . . 0.0 111.088 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.527 ' CE1' HG23 ' B' ' 11' ' ' VAL . 37.6 m-85 -59.77 -52.29 66.12 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 118.591 -0.718 . . . . 0.0 112.415 168.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -38.04 64.83 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.839 1.2 . . . . 0.0 112.505 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -61.69 -51.86 66.67 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.796 1.239 . . . . 0.0 113.378 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.4 -36.29 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 CA-C-N 120.041 1.291 . . . . 0.0 113.018 175.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 26.1 t -59.13 -45.6 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.949 1.299 . . . . 0.0 111.394 173.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.11 94.5 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.124 0.875 . . . . 0.0 111.774 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.65 -50.52 64.64 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 121.851 -0.531 . . . . 0.0 112.827 170.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 33.1 t -61.04 -44.59 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 117.98 0.89 . . . . 0.0 112.277 175.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -57.7 -49.73 75.54 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.32 0.964 . . . . 0.0 111.969 175.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.4 -36.88 85.18 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.167 0.587 . . . . 0.0 112.184 176.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.65 95.96 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.416 -0.802 . . . . 0.0 112.63 172.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 8.6 mt -68.25 -31.95 71.8 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 120.599 -1.313 . . . . 0.0 112.202 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.46 -6.65 41.95 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 169.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -56.31 -41.49 76.05 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.149 -1.595 . . . . 0.0 113.188 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -70.31 5.7 1.63 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.316 1.446 . . . . 0.0 114.838 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 . . . . . 0 CA--C 1.551 1.007 0 CA-C-N 120.387 1.449 . . . . 0.0 113.628 167.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.51 2.551 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 45.2 mt -137.53 -176.93 4.57 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 119.967 -1.708 . . . . 0.0 111.212 -169.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.91 167.93 16.11 Favored Pre-proline 0 N--CA 1.487 1.384 0 C-N-CA 124.689 1.196 . . . . 0.0 112.837 -176.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.61 -50.12 0.09 OUTLIER 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.317 2.011 . . . . 0.0 114.429 -169.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.34 -34.88 73.19 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -169.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -63.64 -37.38 87.11 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.085 -1.01 . . . . 0.0 112.379 177.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -59.55 -42.38 92.27 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.688 1.131 . . . . 0.0 111.827 173.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 38.7 m -59.48 -41.01 88.82 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.189 0.596 . . . . 0.0 110.939 174.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -67.48 -37.04 82.28 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.724 -0.61 . . . . 0.0 112.253 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 69.9 t -61.16 -48.06 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.481 1.037 . . . . 0.0 111.227 170.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -60.99 -44.33 97.56 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.763 0.711 . . . . 0.0 111.898 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.39 -53.0 63.23 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.426 0.69 . . . . 0.0 111.429 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.72 -53.88 51.16 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.056 0.942 . . . . 0.0 112.589 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -63.3 -29.99 71.21 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.21 -0.931 . . . . 0.0 112.956 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.92 -36.51 90.39 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.408 1.004 . . . . 0.0 113.215 169.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -73.96 -36.73 64.63 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 118.411 1.105 . . . . 0.0 111.528 172.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 90.6 t -59.39 -54.4 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.826 0.85 . . . . 0.0 111.205 176.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.05 -128.1 4.34 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.326 0.965 . . . . 0.0 113.883 -177.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.01 -22.48 49.84 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -72.37 -6.79 45.88 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.01 -44.03 63.96 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 120.854 -1.154 . . . . 0.0 112.792 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.15 -45.93 95.03 Favored Glycine 0 C--N 1.341 0.854 0 CA-C-O 119.297 -0.724 . . . . 0.0 113.881 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -67.88 -36.96 81.16 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.57 1.185 . . . . 0.0 112.053 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -66.8 -37.8 85.24 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 121.135 -0.978 . . . . 0.0 112.507 173.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.46 -43.97 91.27 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 121.186 -0.946 . . . . 0.0 112.368 173.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.86 -50.55 72.11 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.105 0.962 . . . . 0.0 111.072 174.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -65.25 -24.74 67.41 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 124.116 0.966 . . . . 0.0 113.443 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.45 -38.41 49.46 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.555 1.07 . . . . 0.0 111.884 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.09 -44.03 97.98 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.523 0.729 . . . . 0.0 110.658 169.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -61.06 -49.48 77.18 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.307 0.643 . . . . 0.0 112.278 173.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -60.52 -36.93 79.57 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 117.902 -1.047 . . . . 0.0 112.583 175.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 26.8 ttp -55.44 -52.14 64.58 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.977 1.262 . . . . 0.0 111.396 169.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -55.87 29.1 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 117.956 0.344 . . . . 0.0 111.644 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.06 -29.67 69.52 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.583 0.628 . . . . 0.0 112.158 -173.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . 0.681 ' HA ' ' HB2' ' D' ' 128' ' ' ALA . 8.2 t -72.24 -24.22 61.34 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 177.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -150.81 67.51 7.88 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 123.762 0.825 . . . . 0.0 110.198 -172.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -51.53 -27.65 25.84 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.835 3.023 . . . . 0.0 115.242 -171.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.18 -33.85 13.24 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.889 1.676 . . . . 0.0 114.417 172.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 35.9 p -71.14 -18.07 62.52 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 120.856 1.662 . . . . 0.0 114.039 175.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -57.61 -31.21 66.0 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 120.93 1.696 . . . . 0.0 112.952 -178.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 1.7 t -73.22 -18.03 61.28 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -32.64 74.13 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.772 -1.205 . . . . 0.0 112.195 177.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -148.07 78.16 9.72 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.665 1.586 . . . . 0.0 111.446 174.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -77.65 -0.86 11.04 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 C-N-CA 123.739 2.959 . . . . 0.0 114.372 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.17 0.28 0.44 Allowed 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 -176.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.99 147.7 42.51 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.3 1.44 . . . . 0.0 112.826 -176.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -77.17 152.15 34.96 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.461 0.704 . . . . 0.0 110.407 167.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -154.57 14.04 0.42 Allowed 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 115.254 1.576 . . . . 0.0 115.254 -174.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -86.8 56.41 3.99 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.156 1.383 . . . . 0.0 112.875 -173.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 69.13 118.15 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.567 2.347 . . . . 0.0 113.761 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.24 14.34 74.61 Favored Glycine 0 CA--C 1.536 1.389 0 O-C-N 121.135 -0.978 . . . . 0.0 115.088 174.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -58.51 133.89 56.22 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.444 1.097 . . . . 0.0 112.86 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.14 -26.68 68.45 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.038 0.935 . . . . 0.0 113.378 173.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -81.69 -40.33 22.97 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.737 -0.602 . . . . 0.0 111.741 175.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -66.14 -33.84 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 121.286 -0.884 . . . . 0.0 111.882 175.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -60.27 -37.77 81.48 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 120.041 1.292 . . . . 0.0 112.69 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.88 -53.15 6.49 Favored Glycine 0 N--CA 1.471 1.03 0 C-N-CA 124.395 0.997 . . . . 0.0 111.85 177.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.41 -33.95 68.4 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.801 -0.823 . . . . 0.0 111.973 175.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -61.6 -50.66 63.99 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 124.973 1.273 . . . . 0.0 113.806 170.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -56.79 -36.21 69.62 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 118.988 1.394 . . . . 0.0 113.166 170.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -66.12 -51.74 55.08 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.087 0.858 . . . . 0.0 112.943 173.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 76.5 t -57.01 -43.17 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 119.475 1.034 . . . . 0.0 111.091 174.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.82 -48.46 81.24 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.015 0.926 . . . . 0.0 113.261 174.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.07 -38.78 87.46 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.924 0.784 . . . . 0.0 112.217 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.26 -45.56 94.02 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 170.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.27 -44.6 88.5 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.628 172.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 96.2 m -57.55 -49.18 77.19 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.736 1.153 . . . . 0.0 111.822 172.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -22.23 65.65 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 120.143 1.338 . . . . 0.0 113.018 177.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.19 -51.63 20.26 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 119.495 1.043 . . . . 0.0 110.394 167.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 69.9 t -54.59 -47.16 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 119.963 1.256 . . . . 0.0 111.465 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.29 -21.49 49.14 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.092 1.357 . . . . 0.0 113.899 -178.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -143.2 35.58 1.35 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.58 1.152 . . . . 0.0 111.313 -176.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.16 -23.69 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 119.555 -1.966 . . . . 0.0 115.927 -162.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -119.1 27.36 8.89 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.642 1.177 . . . . 0.0 112.469 170.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -153.71 29.15 0.47 Allowed 'General case' 0 CA--C 1.559 1.307 0 C-N-CA 129.186 2.994 . . . . 0.0 111.531 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 15.1 ptt? -101.2 18.08 0.05 OUTLIER Pre-proline 0 N--CA 1.481 1.085 0 N-CA-C 116.261 1.949 . . . . 0.0 116.261 -176.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -64.9 -41.75 16.75 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 CA-C-N 123.475 2.277 . . . . 0.0 113.651 -161.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -84.6 -19.54 32.87 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.053 0.941 . . . . 0.0 113.005 171.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.19 -10.15 52.21 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -173.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 52.2 mt -107.31 5.44 27.52 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.695 1.134 . . . . 0.0 113.102 168.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 58.7 m -59.52 -35.09 73.49 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.649 -1.282 . . . . 0.0 113.357 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.16 -16.31 43.26 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 172.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mt -97.04 -38.75 9.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.483 1.513 . . . . 0.0 110.725 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 14.9 t -52.08 -42.71 63.42 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.693 1.197 . . . . 0.0 111.418 161.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.67 -53.82 42.05 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.711 1.204 . . . . 0.0 111.927 170.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -54.58 -53.07 59.43 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.367 0.985 . . . . 0.0 111.017 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -53.05 -43.63 66.78 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.793 1.237 . . . . 0.0 113.58 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.79 -31.83 14.22 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -173.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -84.48 -45.59 12.5 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.092 0.957 . . . . 0.0 112.819 -176.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER -147.52 51.81 1.06 Allowed 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -178.256 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.93 -62.23 0.86 Allowed 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.496 -0.753 . . . . 0.0 111.193 169.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 57.24 18.47 4.27 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.64 1.176 . . . . 0.0 113.549 -175.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 58.2 t -83.2 143.06 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 126.516 1.926 . . . . 0.0 111.637 -173.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -58.79 143.32 82.91 Favored Pre-proline 0 CA--C 1.551 1.003 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 172.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -50.77 -17.01 2.74 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 124.291 3.327 . . . . 0.0 116.536 173.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.04 -40.72 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 119.783 1.174 . . . . 0.0 112.994 171.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -65.51 -34.08 77.42 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.444 -0.788 . . . . 0.0 112.507 175.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . 0.438 ' C ' ' CD1' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -59.57 -51.48 69.66 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.598 1.09 . . . . 0.0 109.029 170.212 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -56.16 -51.67 67.14 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.274 0.559 . . . . 0.0 109.866 -175.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 63.8 mt -58.72 -50.17 74.88 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.932 0.893 . . . . 0.0 112.24 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.46 -41.53 93.27 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.829 1.195 . . . . 0.0 112.588 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 37.6 m -66.01 -46.13 79.04 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 120.215 1.371 . . . . 0.0 112.791 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -61.19 -43.8 98.31 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.602 1.092 . . . . 0.0 111.265 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 90.6 m -67.41 -33.8 75.91 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 27.5 mt -64.58 -47.26 79.37 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.145 1.338 . . . . 0.0 111.222 170.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 7.7 mt -53.9 -42.67 68.94 Favored 'General case' 0 C--O 1.224 -0.246 0 O-C-N 121.623 -0.673 . . . . 0.0 111.371 171.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 37.2 t -69.21 -38.1 77.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 117.784 -1.103 . . . . 0.0 113.68 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 32.2 p -72.83 -39.83 66.28 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 121.761 2.073 . . . . 0.0 112.536 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 19.8 mt -56.43 -59.39 5.04 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 167.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -47.67 -47.26 29.59 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.62 -20.15 60.02 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 -174.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -131.17 -16.16 3.2 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -172.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.23 75.62 52.58 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 129.953 3.301 . . . . 0.0 106.994 170.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -44.71 146.09 2.45 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.86 3.04 . . . . 0.0 114.412 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.6 17.14 0.05 Allowed 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 176.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 51.96 18.88 0.88 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.813 2.045 . . . . 0.0 114.4 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 43.0 p90 44.36 8.42 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 128.953 2.901 . . . . 0.0 117.151 -166.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.08 144.08 81.52 Favored Pre-proline 0 N--CA 1.478 0.946 0 O-C-N 120.573 -1.329 . . . . 0.0 111.522 -176.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -64.44 -33.37 57.92 Favored 'Trans proline' 0 CA--C 1.537 0.675 0 C-N-CA 122.396 2.064 . . . . 0.0 112.339 175.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.56 72.86 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.647 0.658 . . . . 0.0 112.383 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 58.9 t -71.77 -38.53 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 119.863 1.21 . . . . 0.0 111.132 174.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -61.95 -34.43 76.1 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.324 -0.86 . . . . 0.0 113.153 172.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.22 -56.92 10.07 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.656 0.662 . . . . 0.0 110.144 165.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 26.7 p -59.04 -55.16 38.72 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 117.741 -1.123 . . . . 0.0 113.519 -164.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.32 -43.59 97.36 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 120.019 1.281 . . . . 0.0 112.268 -175.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.2 -51.36 31.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.28 0.632 . . . . 0.0 111.346 -175.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.18 -36.13 74.78 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.101 0.56 . . . . 0.0 111.313 169.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -67.43 -44.76 77.95 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 119.735 1.152 . . . . 0.0 111.322 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.94 -28.87 68.64 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.527 1.512 . . . . 0.0 111.577 173.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.42 97.38 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-O 118.118 -0.944 . . . . 0.0 113.219 166.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 95.3 p -76.66 -35.38 58.0 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 121.516 1.962 . . . . 0.0 113.736 176.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.63 -53.65 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.625 1.102 . . . . 0.0 108.998 165.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 26.6 t -52.35 -60.26 3.44 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.907 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 26.6 m -51.66 -47.56 63.73 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 117.916 -1.04 . . . . 0.0 112.564 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 80.8 t -71.02 -38.42 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 120.497 1.499 . . . . 0.0 111.98 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.81 -41.94 78.69 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 120.247 1.385 . . . . 0.0 110.316 168.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 70.2 p -91.91 31.32 1.25 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.971 1.708 . . . . 0.0 113.411 175.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 CA--C 1.545 0.755 0 O-C-N 120.499 -1.376 . . . . 0.0 111.366 175.656 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.315 7.4 p . . . . . 0 N--CA 1.513 2.718 0 CA-C-O 117.614 -1.184 . . . . 0.0 112.987 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 5.2 t60 34.99 74.07 0.07 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.057 2.143 . . . . 0.0 115.595 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 67.6 mt -54.58 122.66 11.05 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.371 -0.831 . . . . 0.0 111.269 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 61.6 m -52.55 132.43 45.22 Favored Pre-proline 0 N--CA 1.478 0.946 0 CA-C-O 117.253 -1.356 . . . . 0.0 109.558 168.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -48.76 -41.77 37.92 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.482 2.788 . . . . 0.0 116.512 -170.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -68.24 -36.93 80.23 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.484 -0.76 . . . . 0.0 112.367 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.01 -39.38 75.88 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.348 -0.845 . . . . 0.0 112.063 172.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -47.26 79.18 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 117.557 -1.211 . . . . 0.0 110.367 167.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 20.6 t -56.84 -47.02 81.29 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 120.05 1.295 . . . . 0.0 111.639 175.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.9 -57.31 11.45 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.491 1.116 . . . . 0.0 113.891 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 11' ' ' VAL . . . . . 0.522 HG23 ' CE1' ' D' ' 130' ' ' TYR . 0.2 OUTLIER -70.77 -49.89 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 119.177 0.899 . . . . 0.0 111.63 176.692 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 17.6 m -66.29 -35.53 80.63 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.78 1.173 . . . . 0.0 112.229 -167.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.9 -38.07 87.77 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.395 0.998 . . . . 0.0 112.464 172.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 tt -70.38 -34.95 73.17 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.253 -0.904 . . . . 0.0 111.334 173.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -36.53 76.0 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.638 1.175 . . . . 0.0 112.725 166.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.45 -41.8 98.75 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.81 1.195 . . . . 0.0 113.963 175.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -86.85 -16.93 34.62 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 175.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.14 131.26 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.883 1.273 . . . . 0.0 111.865 -178.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -88.47 77.88 7.98 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.548 1.139 . . . . 0.0 109.813 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -50.0 -38.95 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 124.813 1.245 . . . . 0.0 113.676 -168.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -13.56 62.36 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.833 1.253 . . . . 0.0 114.136 -178.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -124.6 -50.13 1.75 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.725 1.21 . . . . 0.0 111.17 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.71 -29.63 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 119.285 0.948 . . . . 0.0 112.798 173.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.77 -39.89 11.42 Favored Glycine 0 N--CA 1.472 1.064 0 O-C-N 121.337 -0.852 . . . . 0.0 112.676 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.95 -43.05 99.87 Favored Glycine 0 N--CA 1.476 1.305 0 CA-C-N 118.16 0.98 . . . . 0.0 112.008 169.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -56.69 -56.58 19.63 Favored 'General case' 0 C--O 1.214 -0.793 0 C-N-CA 124.487 1.115 . . . . 0.0 111.014 167.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.58 94.3 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 121.43 1.923 . . . . 0.0 114.369 -176.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 33.6 tp -69.63 -49.52 53.08 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.136 0.88 . . . . 0.0 111.834 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.62 -39.68 96.86 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-N 118.298 0.499 . . . . 0.0 112.22 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -54.49 -45.72 73.29 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 117.163 -1.398 . . . . 0.0 112.037 172.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -49.24 17.01 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 120.086 1.312 . . . . 0.0 112.057 -177.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . 0.495 HD22 ' H ' ' D' ' 32' ' ' LEU . 2.3 mm? -62.4 -44.32 96.72 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.109 0.964 . . . . 0.0 112.736 179.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -78.34 -27.91 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 121.374 -0.829 . . . . 0.0 112.508 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 19.1 t -67.77 -46.35 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.71 2.004 . . . . 0.0 111.07 175.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -133.78 83.68 46.61 Favored Pre-proline 0 CA--C 1.539 0.549 0 C-N-CA 124.619 1.167 . . . . 0.0 110.472 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_exo -50.08 -18.79 3.48 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 124.714 3.609 . . . . 0.0 117.04 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 -60.24 -33.79 72.78 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 120.135 1.334 . . . . 0.0 112.979 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 73.0 p -62.72 -20.99 65.45 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -53.4 -30.67 41.24 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.909 0.884 . . . . 0.0 113.135 167.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -60.04 -15.73 25.29 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 120.979 1.718 . . . . 0.0 114.228 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -108.88 1.48 20.85 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.077 1.751 . . . . 0.0 113.299 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -53.32 59.61 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.205 1.366 . . . . 0.0 112.475 -173.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 26.05 5.1 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.471 1 C-N-CA 134.547 5.139 . . . . 0.0 120.627 -176.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -162.3 -28.56 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.049 2.14 . . . . 0.0 113.087 -169.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -52.28 -32.55 37.95 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 176.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.64 159.49 17.55 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.841 1.21 . . . . 0.0 114.858 175.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 49.4 t0 42.49 -98.42 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 127.084 2.154 . . . . 0.0 114.078 -173.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 47.43 10.02 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 119.019 2.97 . . . . 0.0 119.019 176.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -57.8 -22.15 45.8 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -172.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 68.8 p -134.43 162.48 57.47 Favored Pre-proline 0 N--CA 1.473 0.713 0 C-N-CA 126.209 1.804 . . . . 0.0 110.643 171.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -50.01 -40.67 49.79 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.069 2.513 . . . . 0.0 114.399 167.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -62.8 -44.53 95.91 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.503 0.721 . . . . 0.0 111.725 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.72 -45.12 94.22 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.661 0.784 . . . . 0.0 112.88 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -66.21 -37.79 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 O-C-N 121.1 -1.0 . . . . 0.0 112.669 -177.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 3.0 ttm -79.56 -12.75 59.84 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.94 -21.89 9.82 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.988 1.28 . . . . 0.0 115.079 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -55.14 117.04 12.98 Favored Pre-proline 0 CA--C 1.557 1.237 0 CA-C-N 119.185 1.492 . . . . 0.0 111.926 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -51.24 -40.32 61.04 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 123.946 3.097 . . . . 0.0 115.167 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -26.1 61.57 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.999 -1.063 . . . . 0.0 112.582 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.21 -33.24 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 CA-C-N 119.44 1.018 . . . . 0.0 111.513 169.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.71 -45.02 88.36 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 120.426 1.466 . . . . 0.0 111.739 168.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.85 -49.45 77.66 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -67.16 -28.3 68.0 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.469 -1.394 . . . . 0.0 112.215 174.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.81 -49.08 82.38 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.828 1.68 . . . . 0.0 113.043 168.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -58.51 -40.26 82.37 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 122.042 -0.681 . . . . 0.0 111.497 168.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -63.69 -51.8 63.47 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.299 1.04 . . . . 0.0 112.661 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 13.8 p -62.53 -46.54 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 119.354 0.979 . . . . 0.0 112.363 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.57 -37.44 76.99 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.482 -0.761 . . . . 0.0 110.751 177.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.59 -43.99 46.39 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 125.161 1.363 . . . . 0.0 112.904 169.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.33 -48.48 81.11 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.558 1.179 . . . . 0.0 112.516 172.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -59.09 -37.02 76.13 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.316 -1.49 . . . . 0.0 113.24 172.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 7.3 t -67.73 -44.14 78.3 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.167 1.387 . . . . 0.0 112.753 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -56.55 -37.32 70.35 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.902 0.881 . . . . 0.0 111.27 168.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.16 -57.65 18.11 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 123.453 0.549 . . . . 0.0 112.313 170.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.5 mt -57.78 -24.43 57.11 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 176.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.43 -19.76 27.59 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.567 1.547 . . . . 0.0 114.882 175.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -141.19 41.07 1.78 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.648 1.579 . . . . 0.0 112.767 -172.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 96.2 mt -55.65 -19.19 9.71 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.65 -1.282 . . . . 0.0 114.257 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -52.83 -42.14 64.88 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.733 1.613 . . . . 0.0 113.126 172.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -153.63 113.31 3.84 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.678 1.591 . . . . 0.0 110.223 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 88.6 mt -94.25 2.48 55.88 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.11 0.964 . . . . 0.0 113.445 176.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -87.17 -53.06 5.06 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 120.45 -1.406 . . . . 0.0 112.449 -174.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.24 -36.82 71.18 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 123.661 0.648 . . . . 0.0 113.555 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.9 p -69.37 -12.6 61.79 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.21 1.804 . . . . 0.0 114.431 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -130.06 9.53 5.31 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.241 1.416 . . . . 0.0 112.952 -177.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.22 -34.5 70.48 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -170.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 21.8 p -65.97 -39.28 90.24 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.96 0.904 . . . . 0.0 111.908 171.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 53.3 mt -73.74 -40.59 63.42 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.581 1.152 . . . . 0.0 111.645 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 96.5 p -64.34 -41.66 96.65 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 119.82 1.191 . . . . 0.0 111.462 176.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -58.12 -48.44 80.2 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.562 -0.711 . . . . 0.0 112.685 170.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 15.4 tp -51.6 -55.09 21.21 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.738 0.815 . . . . 0.0 111.712 173.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -74.75 -30.92 61.64 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.106 -0.996 . . . . 0.0 113.247 -173.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 85.2 m -78.77 -39.17 36.73 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.684 1.129 . . . . 0.0 113.793 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -107.42 -24.53 11.79 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -169.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.2 -24.99 19.75 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.983 0.811 . . . . 0.0 113.077 174.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 32.3 mt -128.2 -44.84 1.41 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.528 1.131 . . . . 0.0 113.591 -172.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 15.0 t60 56.2 22.16 5.89 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 127.544 2.337 . . . . 0.0 116.391 -176.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 23.2 m -61.19 154.32 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 O-C-N 120.766 -1.209 . . . . 0.0 112.549 173.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.14 157.64 86.56 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 127.923 2.489 . . . . 0.0 113.078 -176.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -49.05 -41.29 40.77 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 124.625 3.55 . . . . 0.0 115.187 178.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -61.02 -30.11 70.11 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 120.856 -1.153 . . . . 0.0 113.289 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -62.67 -40.88 98.47 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.98 0.809 . . . . 0.0 111.49 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -65.65 -46.79 77.82 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.58 0.752 . . . . 0.0 110.25 174.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -55.47 -43.81 75.87 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.994 0.518 . . . . 0.0 110.974 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 34.9 mt -58.36 -44.92 89.03 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.925 1.29 . . . . 0.0 113.495 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.02 -46.51 88.03 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.702 1.137 . . . . 0.0 110.491 173.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.21 -38.41 95.59 Favored Glycine 0 CA--C 1.535 1.302 0 O-C-N 121.137 -0.977 . . . . 0.0 113.918 174.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -63.37 -40.03 96.15 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.582 1.191 . . . . 0.0 111.716 174.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 71.0 t -59.39 -54.45 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.314 -0.866 . . . . 0.0 110.61 167.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 45.8 tp -50.91 -53.59 31.4 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.301 1.04 . . . . 0.0 111.968 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 24.9 m -60.06 -35.69 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 118.849 0.749 . . . . 0.0 112.522 177.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 24.5 t -64.47 -38.08 89.76 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.763 0.711 . . . . 0.0 111.681 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 1.9 m -68.0 -43.68 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 121.09 -1.006 . . . . 0.0 111.486 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -38.64 85.33 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.504 -0.748 . . . . 0.0 111.609 172.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.55 -21.52 62.65 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.056 0.843 . . . . 0.0 112.923 172.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.79 -63.27 1.42 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.591 0.756 . . . . 0.0 111.476 166.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -66.2 -27.33 67.9 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -170.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -114.72 27.95 9.08 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.175 1.79 . . . . 0.0 111.119 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.57 -37.47 50.15 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.927 1.251 . . . . 0.0 115.412 -175.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -64.95 -7.5 11.81 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.541 1.536 . . . . 0.0 114.791 173.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -125.9 21.97 7.48 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.111 1.765 . . . . 0.0 111.877 -168.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -58.77 83.84 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 127.045 2.138 . . . . 0.0 113.749 175.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.26 149.5 94.33 Favored Pre-proline 0 N--CA 1.481 1.106 0 O-C-N 120.353 -1.467 . . . . 0.0 111.444 176.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . 0.447 ' CB ' ' HD3' ' D' ' 125' ' ' PRO 0.364 13.1 Cg_exo -33.62 -93.35 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.052 1 C-N-CA 126.978 5.119 . . . . 0.0 118.159 -173.896 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild core ' D' D ' 125' ' ' PRO . . . . . 0.447 ' HD3' ' CB ' ' D' ' 124' ' ' PRO . 71.6 Cg_exo -70.21 17.84 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 CA-C-N 124.538 2.656 . . . . 0.0 118.718 169.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 2.0 p -53.76 -43.11 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 CA-C-N 123.273 2.76 . . . . 0.0 113.881 -167.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -64.46 -41.16 96.69 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.42 -0.8 . . . . 0.0 111.691 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 128' ' ' ALA . . . . . 0.681 ' HB2' ' HA ' ' C' ' 35' ' ' SER . . . -60.94 -46.11 92.01 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.324 1.05 . . . . 0.0 111.755 174.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.23 -43.59 95.92 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.147 0.979 . . . . 0.0 111.206 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 130' ' ' TYR . . . . . 0.522 ' CE1' HG23 ' D' ' 11' ' ' VAL . 37.8 m-85 -59.75 -52.34 65.92 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 118.565 -0.731 . . . . 0.0 112.422 168.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.02 -37.92 64.6 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.837 1.199 . . . . 0.0 112.583 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -61.84 -51.76 66.92 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.827 1.251 . . . . 0.0 113.404 173.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.36 -36.33 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 CA-C-N 119.941 1.246 . . . . 0.0 112.962 175.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 25.8 t -59.26 -45.61 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.963 1.305 . . . . 0.0 111.336 173.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.14 94.42 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.141 0.882 . . . . 0.0 111.727 175.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.58 -50.65 63.46 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 123.374 0.512 . . . . 0.0 112.86 170.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 32.8 t -60.89 -44.62 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 117.921 0.86 . . . . 0.0 112.319 175.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -57.79 -49.67 75.84 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.311 0.96 . . . . 0.0 111.932 175.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.27 -37.03 85.64 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.751 -0.593 . . . . 0.0 112.272 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.69 96.22 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.348 -0.845 . . . . 0.0 112.648 172.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 8.7 mt -68.18 -31.95 71.85 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 120.556 -1.34 . . . . 0.0 112.153 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.46 -6.64 41.94 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 169.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -56.21 -41.63 75.91 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.191 -1.568 . . . . 0.0 113.114 -173.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -70.35 5.84 1.59 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.349 1.46 . . . . 0.0 114.876 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -59.0 -17.8 28.37 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 120.346 1.43 . . . . 0.0 113.671 168.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 3.2 p80 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 125.472 1.509 . . . . 0.0 114.956 176.767 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.497 1.912 0 CA-C-O 116.147 -1.883 . . . . 0.0 108.468 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.403 ' CD1' HG22 ' A' ' 73' ' ' VAL . 46.1 mt 131.7 -169.87 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 131.157 3.783 . . . . 0.0 111.15 -173.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.52 165.28 23.73 Favored Pre-proline 0 N--CA 1.476 0.843 0 C-N-CA 127.003 2.121 . . . . 0.0 112.363 -173.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.78 -39.77 1.71 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.215 1.944 . . . . 0.0 112.111 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.49 -34.19 60.84 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 118.816 -0.612 . . . . 0.0 112.201 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.434 ' OD2' ' HE3' ' A' ' 127' ' ' LYS . 0.6 OUTLIER -61.17 -44.41 97.34 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 119.953 1.251 . . . . 0.0 110.702 178.076 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -51.75 -50.86 59.8 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.938 0.895 . . . . 0.0 112.338 173.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.3 m -54.85 -44.43 73.97 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.259 0.936 . . . . 0.0 111.469 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -72.42 -33.09 66.86 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.8 -51.06 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-N 119.175 0.898 . . . . 0.0 110.384 169.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -60.88 -41.32 95.75 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.746 0.819 . . . . 0.0 111.021 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.58 -54.14 49.98 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.302 0.641 . . . . 0.0 111.384 172.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.8 -54.06 47.13 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.657 0.662 . . . . 0.0 111.973 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -65.65 -25.07 67.18 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.028 0.931 . . . . 0.0 113.463 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.85 -36.8 93.88 Favored Glycine 0 CA--C 1.534 1.263 0 O-C-N 121.18 -0.95 . . . . 0.0 113.253 169.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -77.1 -32.48 56.63 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 118.043 0.922 . . . . 0.0 111.765 172.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.6 t -58.94 -50.98 77.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.146 0.978 . . . . 0.0 111.41 173.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.45 -134.62 6.6 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 123.887 0.756 . . . . 0.0 113.79 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.73 -19.57 64.08 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -70.4 -6.51 36.14 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.042 -1.036 . . . . 0.0 113.54 176.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -40.05 -56.42 1.87 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.443 1.497 . . . . 0.0 113.074 175.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.95 -33.47 87.33 Favored Glycine 0 N--CA 1.468 0.83 0 O-C-N 121.657 -0.652 . . . . 0.0 114.247 -178.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.36 -47.57 85.26 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.385 1.074 . . . . 0.0 109.755 173.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -67.47 -37.94 83.65 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.901 0.48 . . . . 0.0 111.964 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.81 -49.27 80.52 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-N 118.625 0.648 . . . . 0.0 112.708 171.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.72 -49.83 75.91 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.138 0.969 . . . . 0.0 111.292 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -57.32 -37.26 72.23 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 173.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -67.92 -37.31 81.51 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.198 0.908 . . . . 0.0 113.033 -179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.46 -46.41 88.61 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.148 0.979 . . . . 0.0 111.531 170.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.42 -48.04 83.01 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.792 -0.568 . . . . 0.0 112.023 176.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -54.33 -46.18 72.84 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 118.198 -0.906 . . . . 0.0 111.753 172.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.8 ttp -57.48 -46.61 83.5 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.977 0.808 . . . . 0.0 112.675 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.43 -54.14 50.2 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.583 0.629 . . . . 0.0 110.918 172.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.8 -40.64 97.14 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.297 0.639 . . . . 0.0 112.273 -173.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.8 p -76.51 -29.68 56.88 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.133 1.373 . . . . 0.0 112.922 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.89 76.01 23.62 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.714 1.606 . . . . 0.0 109.32 -172.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -49.53 -28.1 15.71 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 124.279 3.319 . . . . 0.0 115.392 -177.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -40.64 -44.99 2.26 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.631 1.972 . . . . 0.0 113.343 165.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 p -63.34 -26.21 68.66 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -176.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -54.78 -30.98 58.16 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.611 1.096 . . . . 0.0 113.04 174.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 t -59.03 -31.41 68.81 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 175.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.422 ' CD1' HG22 ' A' ' 93' ' ' VAL . 30.2 m-85 -80.27 12.06 3.16 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.828 1.251 . . . . 0.0 113.6 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -123.64 63.39 27.4 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 126.583 1.953 . . . . 0.0 110.586 172.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -70.42 -4.65 14.9 Favored 'Trans proline' 0 CA--C 1.548 1.18 0 C-N-CA 123.917 3.078 . . . . 0.0 114.512 -176.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.85 22.03 1.6 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.127 1.771 . . . . 0.0 113.736 -170.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -129.03 109.17 10.98 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.75 1.22 . . . . 0.0 110.31 -168.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -73.9 113.38 10.99 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.613 -0.68 . . . . 0.0 111.203 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.8 mt -89.1 35.01 0.79 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.008 0.923 . . . . 0.0 112.216 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.0 m -53.38 150.99 5.85 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.519 1.528 . . . . 0.0 112.105 174.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -58.33 125.07 21.7 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.23 -0.919 . . . . 0.0 110.976 176.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.63 20.58 78.6 Favored Glycine 0 CA--C 1.541 1.66 0 CA-C-O 118.842 -0.977 . . . . 0.0 115.074 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.51 117.18 2.27 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.062 1.431 . . . . 0.0 114.102 -175.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.33 -35.92 68.16 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.436 1.095 . . . . 0.0 113.01 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -63.22 -38.35 90.81 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 173.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.6 t -70.46 -42.89 78.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 CA-C-N 119.789 1.177 . . . . 0.0 110.874 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -60.66 -47.79 84.66 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.876 0.871 . . . . 0.0 111.561 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.98 -57.45 19.66 Favored Glycine 0 C--O 1.222 -0.656 0 C-N-CA 125.154 1.359 . . . . 0.0 111.882 173.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -52.32 -43.77 64.73 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.68 1.24 . . . . 0.0 112.237 176.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.47 -49.1 40.27 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.262 -0.743 . . . . 0.0 114.249 170.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -55.8 -44.91 78.25 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.417 1.109 . . . . 0.0 111.934 172.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -62.84 -52.07 64.56 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 118.945 0.793 . . . . 0.0 111.649 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.0 t -53.25 -47.45 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.993 0.917 . . . . 0.0 110.805 175.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.52 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -73.62 -34.42 65.02 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -176.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -65.39 -36.65 84.63 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 121.162 -0.961 . . . . 0.0 111.58 170.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.44 -30.13 70.42 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.154 -0.966 . . . . 0.0 112.787 168.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -45.72 90.09 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.733 -1.23 . . . . 0.0 111.255 166.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 54.0 m -55.36 -46.41 76.44 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 120.143 1.338 . . . . 0.0 112.479 169.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.93 -27.5 65.81 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.839 -1.163 . . . . 0.0 112.816 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.57 -56.61 14.6 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 117.182 -1.39 . . . . 0.0 110.422 160.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -48.47 -39.6 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 CA-C-N 121.359 1.89 . . . . 0.0 112.666 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.17 -24.7 66.7 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -145.43 42.16 1.26 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.002 1.721 . . . . 0.0 112.95 -169.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.403 HG22 ' CD1' ' A' ' 2' ' ' LEU . 7.3 p -87.31 -45.76 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -161.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -80.29 -7.91 59.24 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 120.696 1.589 . . . . 0.0 111.729 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -119.49 2.68 11.25 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.325 -1.484 . . . . 0.0 113.57 -170.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 mtt -27.31 88.33 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.19 0 C-N-CA 128.216 2.607 . . . . 0.0 115.427 -167.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -91.57 49.62 0.66 Allowed 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.522 2.814 . . . . 0.0 111.487 -165.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . 0.339 0.0 OUTLIER 72.44 16.49 4.94 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.503 1.921 . . . . 0.0 114.457 -164.591 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.12 -16.81 61.22 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -177.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.1 mt -101.48 4.19 40.97 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 119.589 1.086 . . . . 0.0 112.504 170.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.6 t -59.74 -36.64 77.01 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.777 -1.202 . . . . 0.0 113.649 -174.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.7 -28.15 63.57 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.252 0.933 . . . . 0.0 112.571 172.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mt -85.17 -43.1 14.12 Favored 'General case' 0 CA--C 1.526 0.052 0 C-N-CA 124.722 1.209 . . . . 0.0 110.341 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -55.47 -38.75 69.49 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.874 -0.584 . . . . 0.0 111.606 169.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -64.37 -48.25 76.19 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.069 1.348 . . . . 0.0 112.561 171.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.17 -45.58 72.13 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.451 1.023 . . . . 0.0 110.254 175.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -69.37 -61.99 1.56 Allowed 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.657 -0.652 . . . . 0.0 110.242 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.6 -28.48 65.63 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -173.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -109.18 3.87 22.29 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.067 0.947 . . . . 0.0 112.993 -174.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -142.04 -35.95 0.43 Allowed 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -176.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.87 -48.42 0.33 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 115.659 1.726 . . . . 0.0 115.659 -173.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 52.54 50.0 19.17 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 127.642 2.377 . . . . 0.0 114.955 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.422 HG22 ' CD1' ' A' ' 42' ' ' TYR . 6.3 t -59.35 148.37 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.508 0.723 . . . . 0.0 112.076 175.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.501 ' HB2' HG12 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -64.2 139.68 97.75 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 123.978 0.911 . . . . 0.0 111.587 175.389 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.23 -13.02 1.77 Allowed 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 124.019 3.146 . . . . 0.0 115.547 170.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.501 HG12 ' HB2' ' A' ' 94' ' ' ASP . 9.3 p -51.43 -45.39 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 120.79 1.632 . . . . 0.0 111.946 168.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.11 -37.85 78.17 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.439 -0.788 . . . . 0.0 111.03 174.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.446 ' CG ' ' HB3' ' A' ' 133' ' ' SER . 12.4 t80 -60.27 -51.01 71.36 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 118.561 -0.733 . . . . 0.0 110.881 173.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -57.59 -32.21 66.95 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 119.283 0.947 . . . . 0.0 112.262 -177.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.8 mt -70.65 -57.76 4.37 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.412 1.085 . . . . 0.0 110.003 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.3 tp -50.54 -45.1 56.7 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.837 1.655 . . . . 0.0 112.725 176.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.9 p -65.66 -44.96 84.73 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.371 -0.83 . . . . 0.0 112.827 -178.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -39.07 88.85 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.566 -0.708 . . . . 0.0 111.068 170.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 76.8 m -64.25 -38.4 90.92 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.579 -0.701 . . . . 0.0 111.188 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.1 mt -63.66 -49.7 72.16 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.228 1.011 . . . . 0.0 111.638 173.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.2 mt -49.58 -47.44 49.41 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.283 0.947 . . . . 0.0 110.608 173.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.2 t -54.34 -48.56 67.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 123.353 0.661 . . . . 0.0 112.405 173.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -38.68 89.23 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 120.402 1.455 . . . . 0.0 112.581 177.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mt -59.23 -44.16 92.34 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.853 0.751 . . . . 0.0 109.836 176.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.65 -35.75 68.73 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.417 -0.802 . . . . 0.0 112.876 175.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.21 -6.98 10.82 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -137.91 -31.09 0.79 Allowed 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -173.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.2 170.32 16.57 Favored Pre-proline 0 CA--C 1.555 1.157 0 C-N-CA 124.919 1.287 . . . . 0.0 109.949 168.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -75.07 -128.67 0.01 OUTLIER 'Trans proline' 0 CA--C 1.546 1.096 0 C-N-CA 122.741 2.294 . . . . 0.0 108.798 164.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.4 61.07 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.408 1.483 . . . . 0.0 113.847 172.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.86 -17.11 1.22 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 119.394 -2.066 . . . . 0.0 114.462 176.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.407 ' CE2' ' HA ' ' B' ' 113' ' ' VAL . 0.2 OUTLIER -97.31 28.68 3.54 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 127.296 2.239 . . . . 0.0 112.793 179.332 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.5 170.88 1.16 Allowed Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 119.127 -2.233 . . . . 0.0 111.226 168.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -56.78 -51.4 9.09 Favored 'Trans proline' 0 C--N 1.346 0.434 0 CA-C-N 122.744 2.016 . . . . 0.0 111.615 166.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.2 -34.46 77.69 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.665 -0.683 . . . . 0.0 112.705 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.8 t -96.9 -38.05 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.661 1.118 . . . . 0.0 112.781 -176.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -69.68 -49.48 53.11 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 120.482 1.492 . . . . 0.0 111.603 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.04 -50.74 72.41 Favored 'General case' 0 C--N 1.345 0.412 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.3 t -48.66 -60.86 2.37 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 118.082 -0.961 . . . . 0.0 112.897 174.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.95 -41.54 91.11 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.913 1.233 . . . . 0.0 112.17 -173.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.83 -50.37 72.54 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.444 1.02 . . . . 0.0 111.963 176.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.434 ' HE3' ' OD2' ' A' ' 6' ' ' ASP . 0.0 OUTLIER -71.73 -31.02 66.26 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 178.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -60.54 -56.64 18.94 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.781 1.233 . . . . 0.0 109.842 171.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.53 -37.47 81.29 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.671 177.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.52 -38.13 74.16 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 120.495 1.498 . . . . 0.0 114.2 170.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.1 m -70.99 -36.91 72.66 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 120.215 -1.553 . . . . 0.0 112.684 170.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 94.8 t -57.56 -49.38 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-O 117.18 -1.39 . . . . 0.0 109.485 171.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.446 ' HB3' ' CG ' ' A' ' 98' ' ' PHE . 1.4 p -60.43 -43.69 96.53 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 120.98 1.718 . . . . 0.0 113.209 174.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 42.9 m -51.0 -48.32 61.42 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.965 1.257 . . . . 0.0 110.913 174.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 64.0 t -78.94 -26.31 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -3.07 29.83 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.351 -1.468 . . . . 0.0 113.369 168.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 84.9 m -123.45 -17.91 6.37 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.405 1.482 . . . . 0.0 112.473 -176.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.8 p . . . . . 0 CA--C 1.546 0.801 0 O-C-N 120.882 -1.136 . . . . 0.0 112.613 173.62 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . 0.431 HG11 HD22 ' B' ' 78' ' ' LEU 0.301 1.4 p . . . . . 0 N--CA 1.515 2.812 0 CA-C-O 117.638 -1.173 . . . . 0.0 112.779 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 35.97 67.19 0.31 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 126.887 2.075 . . . . 0.0 114.742 172.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.21 162.59 4.39 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.349 0.66 . . . . 0.0 112.407 -173.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.15 151.16 87.21 Favored Pre-proline 0 N--CA 1.479 1.019 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.452 166.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -52.85 -35.48 70.26 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 122.61 2.207 . . . . 0.0 114.662 172.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -73.4 -42.54 61.99 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.531 -0.73 . . . . 0.0 112.388 176.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -63.5 -44.99 92.74 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.481 -0.762 . . . . 0.0 111.534 173.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -51.53 66.94 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.486 1.114 . . . . 0.0 110.524 172.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.8 t -51.44 -48.44 62.73 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.556 0.616 . . . . 0.0 111.067 175.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.4 -56.95 15.54 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 4.1 p -62.75 -49.26 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 120.144 1.338 . . . . 0.0 111.621 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -75.21 -33.43 61.37 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.927 0.785 . . . . 0.0 112.58 -171.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.85 -35.77 79.14 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 120.3 1.409 . . . . 0.0 111.768 172.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -36.34 77.31 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.384 -0.822 . . . . 0.0 111.336 172.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -58.61 -42.78 88.94 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.927 0.891 . . . . 0.0 112.146 167.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.16 -31.67 59.33 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.461 1.505 . . . . 0.0 115.618 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -94.61 -12.3 27.71 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 118.41 1.105 . . . . 0.0 113.519 174.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.46 137.48 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 124.144 0.978 . . . . 0.0 111.801 -168.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -85.02 83.54 8.02 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 175.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 41.8 t -53.47 -33.74 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 119.699 1.136 . . . . 0.0 113.266 -169.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -38.81 92.31 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.617 1.567 . . . . 0.0 112.713 174.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -107.15 -40.14 5.51 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.451 0.7 . . . . 0.0 111.676 -166.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.26 -33.6 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 119.327 0.967 . . . . 0.0 110.805 162.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.12 -47.89 7.27 Favored Glycine 0 C--N 1.342 0.906 0 O-C-N 121.504 -0.748 . . . . 0.0 111.387 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.88 -43.3 94.85 Favored Glycine 0 C--N 1.337 0.611 0 CA-C-N 117.678 0.739 . . . . 0.0 112.572 171.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.56 ' HB2' HH11 ' B' ' 30' ' ' ARG . 4.4 pt-20 -72.14 -43.61 64.41 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 116.851 -1.547 . . . . 0.0 111.98 176.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.99 95.72 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 122.612 2.46 . . . . 0.0 112.229 177.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.2 tp -68.14 -45.45 73.55 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-O 119.377 -0.344 . . . . 0.0 111.702 177.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.36 -44.14 93.59 Favored Glycine 0 N--CA 1.465 0.621 0 O-C-N 120.881 -1.137 . . . . 0.0 111.52 171.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.56 HH11 ' HB2' ' B' ' 26' ' ' GLU . 0.6 OUTLIER -63.39 -21.7 66.44 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 116.829 -1.558 . . . . 0.0 113.759 177.297 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 tp -65.97 -55.23 17.82 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.85 1.659 . . . . 0.0 110.205 161.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.83 -31.66 72.42 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.465 -0.772 . . . . 0.0 112.016 -172.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.513 HG22 ' HA ' ' B' ' 30' ' ' ARG . 12.4 m -68.5 -19.81 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 t -63.52 -3.99 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 CA-C-N 120.876 1.671 . . . . 0.0 112.056 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 45.38 45.52 2.35 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 126.14 1.776 . . . . 0.0 111.704 -161.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -76.15 167.41 25.99 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 121.018 1.145 . . . . 0.0 109.203 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -51.85 -23.09 4.34 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 168.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 3.1 p -57.56 -23.62 51.6 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.768 -1.208 . . . . 0.0 112.567 171.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -55.55 -19.24 9.34 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.741 1.216 . . . . 0.0 113.32 174.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.422 ' HD3' ' CD2' ' B' ' 41' ' ' PHE . 0.0 OUTLIER -51.13 -39.99 57.5 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.315 1.871 . . . . 0.0 112.749 167.496 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . 0.422 ' CD2' ' HD3' ' B' ' 40' ' ' ARG . 68.0 m-85 -88.87 6.49 38.91 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.405 1.082 . . . . 0.0 113.462 -178.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.24 -27.01 5.3 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 176.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -50.63 -18.2 0.65 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 128.6 2.76 . . . . 0.0 116.369 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 30.4 p -109.13 -3.16 17.54 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.722 1.609 . . . . 0.0 114.176 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -96.74 -17.14 20.49 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -171.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.06 150.78 0.55 Allowed Glycine 0 CA--C 1.536 1.396 0 CA-C-N 119.47 1.032 . . . . 0.0 114.619 -178.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 t0 37.54 -82.67 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 128.807 2.843 . . . . 0.0 115.939 -172.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 42.66 -12.01 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.236 1 C-N-CA 132.527 4.331 . . . . 0.0 121.61 176.44 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 21.9 t -58.15 -17.34 17.85 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.175 1.79 . . . . 0.0 114.551 -171.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.1 p -136.7 166.45 27.44 Favored Pre-proline 0 N--CA 1.472 0.646 0 C-N-CA 126.71 2.004 . . . . 0.0 109.782 -176.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -59.63 -53.44 3.33 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 121.702 1.601 . . . . 0.0 112.47 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.42 -36.14 73.14 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.213 1.005 . . . . 0.0 111.73 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.7 -59.87 4.52 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.258 0.623 . . . . 0.0 111.634 170.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.6 p -65.59 -35.27 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 120.485 -1.385 . . . . 0.0 113.479 -171.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 5.9 mtt -77.2 -30.79 54.94 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.54 0.736 . . . . 0.0 112.862 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.47 -24.46 23.82 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 123.905 0.764 . . . . 0.0 114.32 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.531 HD22 HG23 ' B' ' 60' ' ' VAL . 8.0 t30 -61.83 125.76 85.64 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 124.642 1.177 . . . . 0.0 112.996 -174.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.33 -38.23 35.75 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.305 2.67 . . . . 0.0 113.645 -170.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -61.76 -38.55 88.44 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.186 0.903 . . . . 0.0 112.512 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.531 HG23 HD22 ' B' ' 57' ' ' ASN . 95.7 t -65.16 -37.63 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-O 118.701 -0.666 . . . . 0.0 110.806 172.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -67.93 -47.54 68.45 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 120.117 1.326 . . . . 0.0 111.873 175.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.86 75.63 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.97 0.908 . . . . 0.0 113.247 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.39 -36.53 80.51 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.748 -1.22 . . . . 0.0 111.09 171.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.0 -48.09 64.04 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 126.145 1.831 . . . . 0.0 113.192 169.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -60.56 -34.53 74.29 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 118.536 -0.745 . . . . 0.0 112.622 171.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -68.8 -50.35 50.96 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.103 0.961 . . . . 0.0 113.044 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -52.43 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 119.992 1.269 . . . . 0.0 111.139 175.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 tt -72.64 -32.26 65.75 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.944 -0.472 . . . . 0.0 112.263 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.72 -35.7 75.48 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 125.031 1.301 . . . . 0.0 112.793 170.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.14 86.74 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.726 1.263 . . . . 0.0 111.184 166.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.428 ' CE1' HG11 ' B' ' 137' ' ' VAL . 2.0 m-30 -59.18 -34.56 72.27 Favored 'General case' 0 CA--C 1.552 1.053 0 O-C-N 120.518 -1.364 . . . . 0.0 111.584 177.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -44.32 76.99 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.449 1.1 . . . . 0.0 113.63 171.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.22 -34.13 68.24 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.692 0.797 . . . . 0.0 111.457 170.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.42 -63.71 4.77 Favored Glycine 0 C--O 1.221 -0.679 0 CA-C-O 119.019 -0.878 . . . . 0.0 111.535 167.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.01 -31.53 30.06 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 118.983 1.391 . . . . 0.0 114.124 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.27 -25.62 51.59 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.788 1.635 . . . . 0.0 115.117 175.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -146.01 44.79 1.26 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.827 1.651 . . . . 0.0 112.645 -170.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.431 HD22 HG11 ' B' ' 1' ' ' VAL . 33.1 mt -57.45 -18.01 16.12 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -178.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -50.67 -39.87 52.15 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.465 1.506 . . . . 0.0 113.86 170.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -150.98 96.33 2.31 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.903 0.881 . . . . 0.0 112.096 -175.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.43 HD21 HD23 ' B' ' 78' ' ' LEU . 28.8 mt -81.46 -45.76 15.54 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.47 -0.768 . . . . 0.0 112.98 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -56.88 -23.85 47.64 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 173.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.5 -7.67 64.84 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.464 1.507 . . . . 0.0 115.142 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.81 -19.08 12.55 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 118.925 1.363 . . . . 0.0 112.758 175.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . 0.522 ' CE2' HG23 ' B' ' 137' ' ' VAL . 18.5 m-85 -108.43 5.57 25.45 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.09 -39.34 55.88 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 121.002 1.728 . . . . 0.0 114.992 -173.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 10.6 p -64.84 -35.95 82.75 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.424 1.09 . . . . 0.0 112.833 172.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.95 -41.77 70.67 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 124.578 1.151 . . . . 0.0 110.55 172.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -56.96 -42.41 80.06 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.651 1.114 . . . . 0.0 111.007 172.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -65.69 -45.1 84.11 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.328 -0.858 . . . . 0.0 112.688 172.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.07 -50.85 70.31 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 120.699 -1.251 . . . . 0.0 112.081 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -78.81 -8.33 58.69 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -176.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' B' ' 97' ' ' HIS . 11.4 t -119.61 -65.8 1.13 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.776 0.717 . . . . 0.0 112.764 176.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.59 -35.9 82.5 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.524 -1.36 . . . . 0.0 114.132 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -94.43 -69.36 0.76 Allowed 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 65.2 mt -77.69 -33.13 53.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.29 1.036 . . . . 0.0 112.147 -175.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . 0.404 ' HA ' ' HA ' ' B' ' 93' ' ' CYS . 0.1 OUTLIER 52.54 21.61 1.87 Allowed 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -176.514 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -45.79 127.99 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.185 1.394 . . . . 0.0 111.01 174.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.27 132.56 91.59 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-O 118.854 -0.593 . . . . 0.0 111.805 -173.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -47.94 -24.91 5.65 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 124.805 3.67 . . . . 0.0 118.488 -174.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -51.25 -35.56 37.77 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.913 1.233 . . . . 0.0 112.094 171.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -66.43 -35.16 79.62 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.482 1.513 . . . . 0.0 111.433 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -65.36 -46.62 79.45 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.784 0.834 . . . . 0.0 110.833 175.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -62.71 -43.72 98.07 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 121.726 -0.609 . . . . 0.0 111.798 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 19.8 mt -55.04 -49.72 70.87 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 119.387 -0.34 . . . . 0.0 111.382 172.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.54 -33.88 70.38 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.323 0.649 . . . . 0.0 112.63 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -68.15 -51.78 31.36 Favored Glycine 0 N--CA 1.467 0.746 0 O-C-N 121.27 -0.893 . . . . 0.0 113.763 169.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -63.74 -33.96 76.81 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.981 -0.717 . . . . 0.0 112.572 -177.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 15.5 m -67.74 -42.19 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 117.799 -1.096 . . . . 0.0 112.375 169.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 41.7 tp -60.09 -48.79 80.24 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 121.147 1.794 . . . . 0.0 111.337 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 33.6 m -59.23 -34.78 54.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.623 0.647 . . . . 0.0 111.909 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 8.1 t -64.34 -41.27 96.86 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.709 0.686 . . . . 0.0 112.802 171.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . 0.407 ' HA ' ' CE2' ' A' ' 117' ' ' PHE 0.266 1.5 m -72.21 -38.52 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 O-C-N 120.464 -1.398 . . . . 0.0 113.052 -179.8 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 21.8 mt -55.94 -42.86 76.82 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.389 0.675 . . . . 0.0 110.552 170.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.47 -22.25 64.9 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 115.049 1.499 . . . . 0.0 115.049 176.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -76.63 -63.55 1.32 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 121.371 1.896 . . . . 0.0 111.382 168.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -63.57 -23.26 67.31 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -168.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -125.7 18.89 7.99 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.137 1.375 . . . . 0.0 112.779 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -47.94 -41.01 20.56 Favored Glycine 0 N--CA 1.479 1.536 0 C-N-CA 125.3 1.429 . . . . 0.0 116.304 -172.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -58.98 -16.94 20.5 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 126.112 1.765 . . . . 0.0 114.83 176.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -134.14 13.39 3.9 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.336 2.254 . . . . 0.0 111.947 -177.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -95.58 59.5 2.12 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.651 1.18 . . . . 0.0 112.079 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 54.0 p -54.93 157.06 6.05 Favored Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 125.643 1.577 . . . . 0.0 113.325 -172.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -48.36 -47.05 21.18 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 121.943 1.762 . . . . 0.0 114.883 173.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -59.68 -31.23 93.91 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.091 1.86 . . . . 0.0 114.98 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.37 -40.51 73.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 121.264 1.847 . . . . 0.0 112.852 -178.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 8.6 tm0? -57.82 -51.83 67.96 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.95 -44.23 86.84 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 123.683 0.793 . . . . 0.0 112.718 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -56.51 -54.32 47.15 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.877 1.271 . . . . 0.0 111.558 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -53.15 -50.6 64.23 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.589 0.631 . . . . 0.0 112.126 171.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -36.61 72.8 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 118.421 -0.799 . . . . 0.0 111.781 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -69.87 -38.29 76.36 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.706 1.139 . . . . 0.0 112.847 177.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.77 -47.36 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 CA-C-N 119.574 1.079 . . . . 0.0 110.559 167.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 65.9 t -78.5 -26.33 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 122.842 0.457 . . . . 0.0 112.176 -171.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.85 97.56 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.042 -1.661 . . . . 0.0 110.56 167.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.52 -47.39 90.19 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 124.146 0.879 . . . . 0.0 113.088 169.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . 0.522 HG23 ' CE2' ' B' ' 85' ' ' PHE . 0.4 OUTLIER -57.15 -46.03 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 CA-C-N 119.313 1.556 . . . . 0.0 111.837 174.448 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.91 89.91 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.858 0.754 . . . . 0.0 111.311 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.31 -39.22 86.22 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.58 0.752 . . . . 0.0 112.776 172.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.61 -42.41 78.18 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.721 -0.612 . . . . 0.0 112.285 175.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.17 -41.12 98.01 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.443 1.474 . . . . 0.0 111.53 173.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.6 -11.45 11.45 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.709 1.203 . . . . 0.0 114.092 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -53.47 -35.42 60.54 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 121.55 1.977 . . . . 0.0 114.237 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -76.37 -6.95 53.86 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 176.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.113 0 C-N-CA 126.649 1.98 . . . . 0.0 113.783 -176.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.5 2.06 0 CA-C-O 116.314 -1.803 . . . . 0.0 108.351 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 46.3 mt 131.56 -169.95 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 131.256 3.822 . . . . 0.0 111.234 -173.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.34 165.26 23.45 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 127.145 2.178 . . . . 0.0 112.383 -173.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -73.72 -40.04 1.63 Allowed 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.299 1.999 . . . . 0.0 111.992 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.39 -34.19 61.07 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 118.771 -0.633 . . . . 0.0 112.264 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . 0.437 ' OD2' ' HE3' ' C' ' 127' ' ' LYS . 0.6 OUTLIER -61.09 -44.57 97.16 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.898 1.226 . . . . 0.0 110.713 178.011 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -51.6 -50.87 59.37 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.939 0.895 . . . . 0.0 112.381 173.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 53.4 m -54.84 -44.38 73.87 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.234 0.925 . . . . 0.0 111.533 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -72.43 -33.18 66.91 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.56 -51.23 70.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 119.206 0.912 . . . . 0.0 110.486 169.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.71 -41.62 95.6 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.875 0.87 . . . . 0.0 111.042 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.34 -54.18 49.66 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.382 0.673 . . . . 0.0 111.474 172.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.79 -54.03 47.46 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.576 0.625 . . . . 0.0 111.996 176.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -65.62 -25.03 67.2 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.98 -36.7 93.81 Favored Glycine 0 CA--C 1.535 1.282 0 O-C-N 121.177 -0.952 . . . . 0.0 113.208 169.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -77.08 -32.47 56.76 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 118.095 0.948 . . . . 0.0 111.829 172.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.19 -50.94 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.214 1.006 . . . . 0.0 111.318 173.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.55 -134.65 6.72 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 123.742 0.687 . . . . 0.0 113.798 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.91 -19.42 64.2 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -70.43 -6.54 36.5 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.114 -0.991 . . . . 0.0 113.58 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.54 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -40.05 -56.4 1.87 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.496 1.518 . . . . 0.0 112.986 175.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.95 -33.62 87.73 Favored Glycine 0 N--CA 1.468 0.825 0 O-C-N 121.71 -0.619 . . . . 0.0 114.226 -178.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.31 -47.64 85.01 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.477 1.111 . . . . 0.0 109.628 173.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -67.53 -37.6 82.98 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 122.973 0.509 . . . . 0.0 112.057 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.11 -49.02 82.81 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-N 118.662 0.665 . . . . 0.0 112.669 171.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.96 -49.82 75.9 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.118 0.959 . . . . 0.0 111.214 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -57.47 -37.33 72.71 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 173.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -67.83 -37.27 81.71 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.177 0.899 . . . . 0.0 113.002 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.34 -46.3 89.31 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.192 0.997 . . . . 0.0 111.634 170.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.65 -47.88 83.38 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.741 -0.599 . . . . 0.0 112.006 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 71.6 mtt85 -54.49 -46.11 73.38 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 118.153 -0.927 . . . . 0.0 111.711 173.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 63.8 ttp -57.49 -46.57 83.58 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.954 0.797 . . . . 0.0 112.521 177.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.5 -54.09 50.74 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 118.636 0.653 . . . . 0.0 111.008 172.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.75 -40.65 97.24 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.304 0.641 . . . . 0.0 112.131 -173.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 86.4 p -76.55 -29.78 56.82 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.038 1.335 . . . . 0.0 112.942 -176.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.77 76.3 23.78 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.769 1.628 . . . . 0.0 109.316 -172.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.51 -28.42 16.28 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 124.202 3.268 . . . . 0.0 115.317 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -40.64 -44.18 2.08 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.43 1.892 . . . . 0.0 113.44 165.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 64.8 p -64.01 -26.41 68.56 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -54.82 -31.12 58.88 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.649 1.113 . . . . 0.0 112.908 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 1.1 t -58.83 -31.35 68.4 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' TYR . . . . . 0.425 ' CD1' HG22 ' C' ' 93' ' ' VAL . 29.9 m-85 -80.27 11.79 3.33 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.855 1.262 . . . . 0.0 113.568 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -123.34 63.34 24.31 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 126.625 1.97 . . . . 0.0 110.661 172.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -70.38 -4.61 14.8 Favored 'Trans proline' 0 CA--C 1.547 1.165 0 C-N-CA 123.801 3.0 . . . . 0.0 114.544 -176.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.75 21.99 1.62 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.267 1.827 . . . . 0.0 113.893 -170.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -128.94 109.14 10.99 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.758 1.223 . . . . 0.0 110.328 -168.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -73.9 113.48 11.11 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.666 -0.646 . . . . 0.0 111.211 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 21.7 mt -89.08 34.93 0.79 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.975 0.91 . . . . 0.0 112.347 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 19.9 m -53.31 150.98 5.72 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.446 1.498 . . . . 0.0 112.22 174.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -58.25 125.03 21.48 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.217 -0.927 . . . . 0.0 111.064 176.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.71 20.53 78.66 Favored Glycine 0 CA--C 1.54 1.621 0 CA-C-O 118.772 -1.016 . . . . 0.0 115.092 -177.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.55 117.26 2.33 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.047 1.423 . . . . 0.0 114.206 -175.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.38 -35.94 68.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.482 1.113 . . . . 0.0 113.037 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -63.2 -38.31 90.65 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 173.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 96.2 t -70.56 -42.79 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 CA-C-N 119.721 1.146 . . . . 0.0 110.797 176.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -60.86 -47.68 85.25 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.882 0.873 . . . . 0.0 111.483 175.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.95 -57.51 19.33 Favored Glycine 0 C--O 1.223 -0.589 0 C-N-CA 125.244 1.402 . . . . 0.0 111.897 173.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -52.33 -43.68 64.72 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.681 1.24 . . . . 0.0 112.278 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.4 -49.29 39.19 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 123.987 0.803 . . . . 0.0 114.102 170.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -55.85 -44.85 78.42 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.418 1.109 . . . . 0.0 111.916 172.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -62.9 -51.98 64.83 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.058 0.845 . . . . 0.0 111.652 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 94.9 t -53.18 -47.76 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.041 0.936 . . . . 0.0 110.691 175.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 63' ' ' ALA . . . . . 0.54 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -73.25 -34.5 65.89 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -176.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -65.47 -36.59 84.33 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.12 -0.988 . . . . 0.0 111.612 170.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.18 70.4 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.119 -0.988 . . . . 0.0 112.708 168.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.26 -45.68 90.35 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 120.67 -1.269 . . . . 0.0 111.239 166.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 53.3 m -55.51 -46.05 77.04 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.219 1.372 . . . . 0.0 112.524 169.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -27.73 66.13 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.977 -1.077 . . . . 0.0 112.805 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.67 -56.37 16.27 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 117.35 -1.309 . . . . 0.0 110.469 160.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 92.9 t -48.62 -39.29 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 CA-C-N 121.396 1.907 . . . . 0.0 112.693 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.57 -24.68 66.39 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 175.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -145.45 42.0 1.25 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.005 1.722 . . . . 0.0 112.957 -169.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 7.5 p -87.27 -45.75 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 O-C-N 120.099 -1.625 . . . . 0.0 115.024 -161.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -80.37 -8.3 59.45 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-N 120.719 1.6 . . . . 0.0 111.669 174.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -118.7 1.94 11.64 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.402 -1.436 . . . . 0.0 113.556 -171.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 1.6 mtt -26.16 87.52 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.183 0 C-N-CA 128.304 2.642 . . . . 0.0 115.594 -167.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -90.91 47.31 0.67 Allowed 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.521 2.814 . . . . 0.0 111.607 -165.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . 0.342 0.0 OUTLIER 74.58 16.07 3.24 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 126.921 2.088 . . . . 0.0 114.397 -164.061 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.97 -16.69 60.42 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 116.173 1.916 . . . . 0.0 116.173 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 64.1 mt -101.52 4.22 40.89 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.614 1.097 . . . . 0.0 112.49 170.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 35.9 t -59.45 -36.95 76.9 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.735 -1.228 . . . . 0.0 113.662 -174.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.67 -28.07 63.43 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.156 0.889 . . . . 0.0 112.674 172.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mt -85.13 -43.12 14.13 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.841 1.257 . . . . 0.0 110.385 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -55.64 -38.54 69.66 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.844 -0.598 . . . . 0.0 111.528 169.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -64.62 -48.0 76.5 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.031 1.333 . . . . 0.0 112.66 171.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.29 -45.38 72.5 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.464 1.029 . . . . 0.0 110.334 175.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -69.28 -62.18 1.49 Allowed 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 121.655 -0.653 . . . . 0.0 110.361 178.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.64 -28.36 65.61 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -173.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -109.1 3.89 22.46 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.236 1.014 . . . . 0.0 113.03 -174.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -142.2 -36.04 0.42 Allowed 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -176.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.85 -48.35 0.33 Allowed 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -173.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 33.4 ttt85 52.61 49.8 19.57 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 127.549 2.339 . . . . 0.0 114.974 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . 0.425 HG22 ' CD1' ' C' ' 42' ' ' TYR . 6.3 t -59.35 148.42 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 123.49 0.716 . . . . 0.0 112.143 175.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . 0.489 ' HB2' HG12 ' C' ' 96' ' ' VAL . 0.0 OUTLIER -64.18 139.61 97.73 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 123.927 0.891 . . . . 0.0 111.591 175.463 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -52.17 -13.04 1.73 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 124.108 3.205 . . . . 0.0 115.547 170.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 96' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' C' ' 94' ' ' ASP . 9.2 p -51.35 -45.5 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 120.722 1.601 . . . . 0.0 111.962 168.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -58.97 -38.01 78.11 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.382 -0.824 . . . . 0.0 111.004 174.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . 0.453 ' CG ' ' HB3' ' C' ' 133' ' ' SER . 12.3 t80 -60.15 -51.25 70.42 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.826 173.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -57.24 -32.26 66.37 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 119.385 0.993 . . . . 0.0 112.152 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 56.9 mt -70.98 -57.36 4.63 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.216 1.006 . . . . 0.0 109.864 175.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 tp -51.2 -44.51 61.61 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.632 1.573 . . . . 0.0 112.729 176.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 88.4 p -66.1 -44.7 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.377 -0.827 . . . . 0.0 112.769 -178.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -38.87 88.88 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.691 -0.63 . . . . 0.0 111.181 170.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 104' ' ' CYS . . . . . 0.428 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 76.3 m -64.28 -38.65 91.79 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.599 -0.688 . . . . 0.0 111.2 179.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 49.2 mt -63.16 -50.37 70.65 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 124.248 1.019 . . . . 0.0 111.551 172.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 10.4 mt -49.07 -47.45 44.98 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.476 1.034 . . . . 0.0 110.754 173.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.31 -48.35 67.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 123.412 0.685 . . . . 0.0 112.515 173.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -38.57 88.04 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.222 1.374 . . . . 0.0 112.384 177.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mt -59.29 -44.02 92.53 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.873 0.761 . . . . 0.0 109.904 176.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.76 -35.65 68.88 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.52 -0.737 . . . . 0.0 112.889 175.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.3 -7.05 11.49 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -137.82 -31.04 0.8 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -173.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 9.4 mp -76.2 170.45 15.96 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 124.808 1.243 . . . . 0.0 109.926 168.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -75.08 -128.55 0.01 OUTLIER 'Trans proline' 0 CA--C 1.545 1.038 0 C-N-CA 122.698 2.266 . . . . 0.0 108.908 164.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.47 61.06 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.274 1.43 . . . . 0.0 113.825 172.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -17.32 1.22 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 119.471 -2.018 . . . . 0.0 114.608 175.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 117' ' ' PHE . . . . . 0.402 ' CE2' ' HA ' ' D' ' 113' ' ' VAL . 0.2 OUTLIER -97.17 28.59 3.53 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.176 2.19 . . . . 0.0 112.852 179.404 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.58 170.76 1.24 Allowed Pre-proline 0 N--CA 1.496 1.869 0 O-C-N 119.103 -2.248 . . . . 0.0 111.145 168.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -56.84 -50.78 10.58 Favored 'Trans proline' 0 C--N 1.347 0.477 0 CA-C-N 122.635 1.977 . . . . 0.0 111.644 167.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.45 77.94 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 4.8 t -96.91 -37.97 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 119.6 1.091 . . . . 0.0 112.783 -176.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -69.75 -49.43 53.2 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.49 1.495 . . . . 0.0 111.461 176.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.14 -50.56 73.06 Favored 'General case' 0 C--N 1.345 0.403 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 10.2 t -48.68 -60.95 2.31 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 118.157 -0.925 . . . . 0.0 112.845 174.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 82.0 mt -65.9 -41.44 91.46 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.786 1.175 . . . . 0.0 112.269 -173.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.97 -50.31 72.61 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.473 1.033 . . . . 0.0 111.963 176.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 127' ' ' LYS . . . . . 0.437 ' HE3' ' OD2' ' C' ' 6' ' ' ASP . 0.0 OUTLIER -71.61 -31.32 66.78 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 178.82 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -60.36 -56.81 16.94 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.744 1.217 . . . . 0.0 109.879 171.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.36 -37.61 81.25 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.702 177.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.44 -38.2 74.04 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 120.58 1.536 . . . . 0.0 114.164 170.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 16.3 m -70.89 -37.14 72.99 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.261 -1.524 . . . . 0.0 112.804 170.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 95.2 t -57.41 -49.4 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 117.116 -1.421 . . . . 0.0 109.578 171.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 133' ' ' SER . . . . . 0.453 ' HB3' ' CG ' ' C' ' 98' ' ' PHE . 1.4 p -60.27 -43.81 95.86 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 121.04 1.745 . . . . 0.0 113.329 174.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 43.2 m -50.72 -48.62 58.83 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.922 1.237 . . . . 0.0 110.917 174.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 63.6 t -78.86 -26.4 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -177.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -3.24 30.37 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 120.342 -1.474 . . . . 0.0 113.279 168.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 82.4 m -123.43 -17.69 6.44 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.366 1.466 . . . . 0.0 112.498 -176.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 35.4 p . . . . . 0 CA--C 1.545 0.76 0 O-C-N 120.828 -1.17 . . . . 0.0 112.648 173.578 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . 0.429 HG11 HD22 ' D' ' 78' ' ' LEU 0.308 1.4 p . . . . . 0 N--CA 1.515 2.79 0 CA-C-O 117.618 -1.182 . . . . 0.0 112.723 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 36.02 67.31 0.31 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 127.033 2.133 . . . . 0.0 114.66 172.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.23 162.39 4.6 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.375 0.67 . . . . 0.0 112.496 -173.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.87 151.22 85.8 Favored Pre-proline 0 N--CA 1.481 1.077 0 CA-C-O 118.545 -0.741 . . . . 0.0 109.582 166.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -52.77 -35.68 70.23 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.729 2.286 . . . . 0.0 114.537 172.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -73.4 -42.54 61.97 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.584 -0.698 . . . . 0.0 112.378 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -63.49 -44.92 92.98 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.431 -0.793 . . . . 0.0 111.541 173.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.78 -51.38 67.62 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.314 1.046 . . . . 0.0 110.665 172.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 40.5 t -51.62 -48.28 63.35 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.582 0.628 . . . . 0.0 111.061 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.26 -56.99 14.88 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 4.0 p -62.86 -49.23 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 120.032 1.287 . . . . 0.0 111.616 -178.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -75.27 -33.28 61.25 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.872 0.76 . . . . 0.0 112.56 -171.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.96 -35.72 78.86 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 120.457 1.48 . . . . 0.0 111.704 172.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -36.37 77.35 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.435 -0.791 . . . . 0.0 111.427 172.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -58.53 -42.81 88.62 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.934 0.894 . . . . 0.0 112.082 167.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.17 -31.71 59.38 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.519 1.533 . . . . 0.0 115.485 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -94.61 -12.55 27.24 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 118.436 1.118 . . . . 0.0 113.503 174.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.34 137.54 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 124.172 0.989 . . . . 0.0 111.889 -168.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -85.11 83.72 7.94 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 175.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 42.5 t -53.69 -33.59 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 O-C-N 120.803 -1.185 . . . . 0.0 113.304 -169.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -38.79 92.25 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.707 1.603 . . . . 0.0 112.772 174.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -107.22 -40.26 5.46 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.329 0.652 . . . . 0.0 111.576 -166.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.24 -33.54 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 119.332 0.969 . . . . 0.0 110.723 162.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.16 -48.01 7.17 Favored Glycine 0 C--N 1.343 0.959 0 O-C-N 121.513 -0.742 . . . . 0.0 111.292 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.02 -43.35 95.09 Favored Glycine 0 C--N 1.338 0.669 0 CA-C-N 117.758 0.779 . . . . 0.0 112.564 171.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . 0.566 ' HB2' HH11 ' D' ' 30' ' ' ARG . 4.3 pt-20 -71.76 -43.64 65.41 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-O 116.743 -1.598 . . . . 0.0 112.1 175.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.97 96.14 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 122.588 2.449 . . . . 0.0 112.084 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 31.3 tp -68.17 -45.36 73.68 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.81 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.15 -44.41 93.16 Favored Glycine 0 N--CA 1.466 0.672 0 O-C-N 120.87 -1.143 . . . . 0.0 111.593 171.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 30' ' ' ARG . . . . . 0.566 HH11 ' HB2' ' D' ' 26' ' ' GLU . 0.6 OUTLIER -63.23 -21.8 66.46 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 116.793 -1.575 . . . . 0.0 113.991 177.139 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.64 -55.27 18.4 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 120.882 1.674 . . . . 0.0 110.475 160.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.86 -31.76 72.58 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.494 -0.754 . . . . 0.0 111.993 -172.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 33' ' ' VAL . . . . . 0.518 HG22 ' HA ' ' D' ' 30' ' ' ARG . 12.2 m -68.27 -20.07 25.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 178.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 t -63.36 -4.1 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 CA-C-N 120.761 1.618 . . . . 0.0 112.095 176.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 45.57 45.4 2.31 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 126.187 1.795 . . . . 0.0 111.729 -161.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -76.17 167.5 25.8 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 N-CA-C 109.192 -1.119 . . . . 0.0 109.192 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -51.83 -23.06 4.25 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 168.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 3.2 p -57.56 -23.64 51.74 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 120.723 -1.236 . . . . 0.0 112.538 171.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -55.54 -19.23 9.28 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.796 1.238 . . . . 0.0 113.348 174.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . 0.417 ' HD3' ' CD2' ' D' ' 41' ' ' PHE . 0.0 OUTLIER -51.18 -39.99 57.64 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 121.268 1.849 . . . . 0.0 112.742 167.53 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 41' ' ' PHE . . . . . 0.417 ' CD2' ' HD3' ' D' ' 40' ' ' ARG . 67.3 m-85 -88.95 6.56 38.9 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.436 1.095 . . . . 0.0 113.472 -178.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.14 -27.04 5.16 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 176.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -50.61 -18.17 0.64 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.618 2.767 . . . . 0.0 116.367 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 30.7 p -109.24 -3.03 17.53 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.756 1.623 . . . . 0.0 114.161 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -96.76 -17.17 20.45 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -171.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.16 150.78 0.57 Allowed Glycine 0 CA--C 1.537 1.429 0 CA-C-N 119.329 0.968 . . . . 0.0 114.611 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 12.7 t0 37.51 -82.62 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 128.963 2.905 . . . . 0.0 115.834 -173.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 42.81 -12.25 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.251 1 C-N-CA 132.513 4.325 . . . . 0.0 121.588 176.398 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 21.9 t -57.99 -17.29 16.34 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.21 1.804 . . . . 0.0 114.635 -171.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 50' ' ' THR . . . . . 0.4 ' HB ' ' HD2' ' D' ' 51' ' ' PRO . 2.1 p -136.86 166.25 28.78 Favored Pre-proline 0 N--CA 1.471 0.611 0 C-N-CA 126.742 2.017 . . . . 0.0 109.82 -176.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 51' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' D' ' 50' ' ' THR . 9.8 Cg_endo -59.51 -53.53 3.32 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 121.693 1.596 . . . . 0.0 112.37 174.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.49 -35.91 72.95 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.135 0.974 . . . . 0.0 111.769 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.78 -60.04 4.25 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.296 0.638 . . . . 0.0 111.635 170.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 1.5 p -65.43 -35.27 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 120.552 -1.342 . . . . 0.0 113.53 -171.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 5.9 mtt -77.13 -30.61 55.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.555 0.742 . . . . 0.0 112.867 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.61 -24.13 24.35 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.928 0.775 . . . . 0.0 114.277 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 57' ' ' ASN . . . . . 0.501 HD22 HG23 ' D' ' 60' ' ' VAL . 7.6 t30 -62.16 125.86 86.38 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 124.647 1.179 . . . . 0.0 112.769 -174.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.12 -38.27 37.46 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.16 2.574 . . . . 0.0 113.891 -170.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -61.55 -40.23 93.97 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.216 -0.927 . . . . 0.0 112.394 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 60' ' ' VAL . . . . . 0.501 HG23 HD22 ' D' ' 57' ' ' ASN . 99.5 t -63.36 -38.05 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.658 0.783 . . . . 0.0 110.912 172.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -67.94 -47.79 67.71 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 120.14 1.336 . . . . 0.0 111.901 175.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.71 76.52 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.032 0.933 . . . . 0.0 113.326 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -36.58 80.61 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.796 -1.19 . . . . 0.0 111.055 171.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.06 -48.01 64.64 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 126.179 1.847 . . . . 0.0 113.167 169.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -60.66 -34.44 74.31 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 118.461 -0.78 . . . . 0.0 112.638 171.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -68.99 -50.32 50.01 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.375 0.989 . . . . 0.0 113.079 176.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -52.61 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 120.112 1.324 . . . . 0.0 111.118 174.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 tt -72.5 -32.31 66.07 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -177.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.59 -35.89 75.45 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.082 1.325 . . . . 0.0 112.82 170.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.53 -47.21 86.6 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.708 1.254 . . . . 0.0 111.173 166.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . 0.429 ' CE1' HG11 ' D' ' 137' ' ' VAL . 2.0 m-30 -58.98 -34.73 72.16 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 120.459 -1.401 . . . . 0.0 111.645 177.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.77 -44.36 77.66 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.527 1.131 . . . . 0.0 113.593 171.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -34.0 68.4 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.682 0.793 . . . . 0.0 111.456 170.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.25 -63.93 4.6 Favored Glycine 0 C--N 1.338 0.684 0 CA-C-O 118.976 -0.902 . . . . 0.0 111.671 167.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 5.8 mt -51.78 -31.72 28.13 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.018 1.409 . . . . 0.0 114.085 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.22 -25.69 51.92 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.773 1.629 . . . . 0.0 115.13 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -145.94 44.81 1.26 Allowed 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.798 1.639 . . . . 0.0 112.632 -170.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 78' ' ' LEU . . . . . 0.45 HD23 HD21 ' D' ' 81' ' ' LEU . 32.4 mt -57.43 -18.08 16.32 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -178.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -50.47 -40.01 49.64 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.517 1.527 . . . . 0.0 113.791 170.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.0 96.15 2.29 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.032 0.933 . . . . 0.0 112.053 -175.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 81' ' ' LEU . . . . . 0.45 HD21 HD23 ' D' ' 78' ' ' LEU . 28.8 mt -81.27 -45.75 15.79 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -57.0 -23.82 49.03 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 173.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.46 -7.82 64.76 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.504 1.526 . . . . 0.0 115.023 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.65 -19.16 12.59 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 118.937 1.368 . . . . 0.0 112.81 175.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 85' ' ' PHE . . . . . 0.534 ' CE2' HG23 ' D' ' 137' ' ' VAL . 18.6 m-85 -108.44 5.36 25.25 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 177.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.05 -39.45 56.01 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 121.092 1.769 . . . . 0.0 114.97 -173.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 10.1 p -64.69 -35.97 82.77 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.389 1.076 . . . . 0.0 112.981 172.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.88 -41.67 71.03 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 124.533 1.133 . . . . 0.0 110.601 172.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -57.18 -42.23 80.8 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.711 1.141 . . . . 0.0 110.947 172.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -65.91 -44.72 84.39 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.285 -0.884 . . . . 0.0 112.635 172.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 51.3 tp -62.3 -50.76 70.4 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 120.584 -1.322 . . . . 0.0 112.08 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 56.4 m80 -78.99 -8.4 58.88 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -176.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 93' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' D' ' 97' ' ' HIS . 11.3 t -119.45 -66.04 1.11 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.835 0.743 . . . . 0.0 112.744 176.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.3 -36.08 82.93 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.544 -1.348 . . . . 0.0 114.064 -177.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -94.39 -69.23 0.76 Allowed 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 65.2 mt -77.84 -32.92 52.39 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.335 1.054 . . . . 0.0 112.171 -175.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 97' ' ' HIS . . . . . 0.417 ' HA ' ' HA ' ' D' ' 93' ' ' CYS . 0.1 OUTLIER 52.31 21.57 1.73 Allowed 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -176.416 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -45.8 127.9 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.94 1.296 . . . . 0.0 111.137 174.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -68.22 132.58 91.66 Favored Pre-proline 0 CA--C 1.548 0.892 0 CA-C-O 118.705 -0.664 . . . . 0.0 111.918 -173.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -48.11 -24.71 5.84 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 124.951 3.767 . . . . 0.0 118.42 -174.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -51.36 -35.52 38.88 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.934 1.243 . . . . 0.0 112.11 171.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -66.6 -35.23 79.68 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.471 1.508 . . . . 0.0 111.277 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -65.29 -46.55 79.96 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.708 0.803 . . . . 0.0 110.814 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 41.0 mtt85 -62.79 -43.69 98.14 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.715 -0.615 . . . . 0.0 111.75 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 19.5 mt -55.1 -49.77 70.88 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.242 172.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.4 -34.0 70.26 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.378 0.671 . . . . 0.0 112.641 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 107' ' ' GLY . . . . . 0.405 ' HA3' HG11 ' D' ' 134' ' ' VAL . . . -68.2 -51.55 32.4 Favored Glycine 0 N--CA 1.466 0.686 0 O-C-N 121.309 -0.869 . . . . 0.0 113.864 169.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -63.88 -33.7 76.3 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 122.069 -0.666 . . . . 0.0 112.661 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 15.8 m -68.03 -42.03 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 117.776 -1.107 . . . . 0.0 112.481 169.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 42.2 tp -59.91 -49.13 78.88 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 121.214 1.825 . . . . 0.0 111.329 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 33.6 m -59.01 -34.86 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 118.629 0.649 . . . . 0.0 111.917 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 8.0 t -64.41 -41.06 96.84 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.648 0.658 . . . . 0.0 112.762 171.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 113' ' ' VAL . . . . . 0.402 ' HA ' ' CE2' ' C' ' 117' ' ' PHE 0.265 1.5 m -72.46 -38.36 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 120.271 1.396 . . . . 0.0 112.977 -179.608 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 21.6 mt -56.0 -42.91 77.13 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.386 0.674 . . . . 0.0 110.576 170.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.31 -22.43 64.88 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -76.52 -63.68 1.28 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 121.406 1.912 . . . . 0.0 111.359 168.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -63.31 -23.42 67.41 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.951 0.722 . . . . 0.0 112.951 -168.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -125.71 18.79 7.98 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.117 1.367 . . . . 0.0 112.76 -175.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -47.91 -40.83 20.09 Favored Glycine 0 N--CA 1.48 1.592 0 C-N-CA 125.326 1.441 . . . . 0.0 116.378 -172.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -59.19 -16.88 22.99 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 126.0 1.72 . . . . 0.0 114.834 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -134.17 13.35 3.89 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.371 2.268 . . . . 0.0 111.929 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -95.43 59.42 2.16 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.688 1.195 . . . . 0.0 112.163 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 52.6 p -54.93 157.02 6.1 Favored Pre-proline 0 N--CA 1.478 0.966 0 C-N-CA 125.653 1.581 . . . . 0.0 113.393 -172.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -48.35 -46.95 21.47 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 121.882 1.721 . . . . 0.0 114.903 173.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -59.72 -31.24 93.85 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 122.07 1.847 . . . . 0.0 114.863 172.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.36 -40.54 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 121.212 1.824 . . . . 0.0 112.779 -178.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -58.01 -51.62 68.89 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.98 87.89 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.531 0.733 . . . . 0.0 112.668 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -56.65 -54.24 48.43 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.96 1.304 . . . . 0.0 111.57 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -53.17 -50.67 64.13 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.699 0.681 . . . . 0.0 112.154 170.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -36.52 72.89 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.797 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -69.77 -38.26 76.66 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.714 1.143 . . . . 0.0 112.924 176.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 22.4 t -59.81 -47.34 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-N 119.664 1.12 . . . . 0.0 110.493 167.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 134' ' ' VAL . . . . . 0.405 HG11 ' HA3' ' D' ' 107' ' ' GLY . 65.2 t -78.67 -26.21 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 121.943 -0.473 . . . . 0.0 112.08 -171.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.81 97.5 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 120.143 -1.598 . . . . 0.0 110.596 167.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.7 -47.39 90.51 Favored Glycine 0 CA--C 1.532 1.099 0 CA-C-O 118.98 -0.9 . . . . 0.0 112.956 169.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 137' ' ' VAL . . . . . 0.534 HG23 ' CE2' ' D' ' 85' ' ' PHE . 0.4 OUTLIER -57.08 -45.94 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 119.232 1.516 . . . . 0.0 111.867 174.659 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.44 -43.67 89.71 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 118.707 0.685 . . . . 0.0 111.413 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.3 -39.3 86.48 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.7 0.8 . . . . 0.0 112.754 172.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.55 -42.49 78.32 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.74 -0.6 . . . . 0.0 112.44 175.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 7.0 mt -62.0 -41.24 97.84 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.311 1.414 . . . . 0.0 111.549 172.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.49 -11.51 11.12 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.691 1.196 . . . . 0.0 114.117 171.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -53.6 -35.37 60.79 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 121.403 1.91 . . . . 0.0 114.153 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -76.34 -7.08 54.21 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.83 -21.81 5.47 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 126.546 1.939 . . . . 0.0 113.664 -176.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 . . . . . 0 C--O 1.256 1.43 0 C-N-CA 129.042 2.937 . . . . 0.0 114.778 -174.115 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.277 9.2 p . . . . . 0 N--CA 1.511 2.616 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 47.4 mt -111.02 176.03 5.18 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 120.443 1.474 . . . . 0.0 111.926 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -94.24 163.49 23.12 Favored Pre-proline 0 N--CA 1.479 0.977 0 C-N-CA 125.366 1.466 . . . . 0.0 110.708 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -74.89 -43.0 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 121.943 1.762 . . . . 0.0 113.02 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.11 -45.83 72.61 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.763 -0.586 . . . . 0.0 111.972 -175.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -66.21 -32.96 74.7 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 118.449 -0.786 . . . . 0.0 111.668 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -52.93 -53.09 54.59 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.375 0.989 . . . . 0.0 111.633 170.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.3 m -58.09 -40.6 81.53 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.603 0.761 . . . . 0.0 111.332 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -68.15 -34.55 76.54 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 177.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.77 -50.37 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.411 1.005 . . . . 0.0 110.435 167.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -56.61 -47.12 80.32 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 118.973 0.806 . . . . 0.0 111.615 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.55 -48.11 81.97 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.245 1.018 . . . . 0.0 112.064 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.1 -51.99 61.37 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 175.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 17.6 t-105 -64.9 -25.91 68.09 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.137 -0.977 . . . . 0.0 113.29 -177.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.36 -42.21 93.54 Favored Glycine 0 CA--C 1.538 1.518 0 O-C-N 121.175 -0.953 . . . . 0.0 113.21 166.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -69.16 -31.52 70.23 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.121 0.96 . . . . 0.0 112.223 174.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 21' ' ' ALA . 86.0 t -68.93 -14.19 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 125.556 1.542 . . . . 0.0 113.397 176.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.52 134.95 4.13 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 124.907 1.241 . . . . 0.0 114.816 176.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 59.62 -32.16 0.05 Allowed 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 128.665 2.786 . . . . 0.0 116.961 -171.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -78.66 -11.08 59.96 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.757 1.223 . . . . 0.0 114.013 173.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -49.84 -48.87 50.79 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.798 1.239 . . . . 0.0 113.504 -175.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.19 -38.16 91.79 Favored Glycine 0 N--CA 1.472 1.044 0 O-C-N 121.785 -0.572 . . . . 0.0 113.901 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -58.82 -45.61 89.57 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.528 1.131 . . . . 0.0 111.202 171.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -64.99 -39.08 92.93 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.361 -0.837 . . . . 0.0 112.682 174.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.63 -47.61 90.08 Favored Glycine 0 CA--C 1.534 1.242 0 CA-C-N 119.049 0.841 . . . . 0.0 112.716 172.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.61 -47.24 87.09 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.87 0.868 . . . . 0.0 111.615 176.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -59.07 -40.45 85.25 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 121.51 -0.744 . . . . 0.0 112.846 171.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.24 93.69 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.596 1.089 . . . . 0.0 112.136 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.9 mt -63.06 -50.49 70.41 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.256 1.023 . . . . 0.0 111.697 172.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.55 -49.02 79.22 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.53 0.732 . . . . 0.0 112.644 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.8 ttm105 -60.39 -41.16 93.26 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.949 1.3 . . . . 0.0 111.287 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 39.2 ttp -60.2 -49.14 78.79 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.351 0.978 . . . . 0.0 112.917 170.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.78 -38.96 76.36 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.974 -0.454 . . . . 0.0 112.144 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.7 mt -75.5 -41.56 54.97 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.715 0.806 . . . . 0.0 112.683 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.0 p -75.14 -22.72 57.96 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -174.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -139.41 73.39 36.43 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.899 1.28 . . . . 0.0 109.914 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -48.9 -27.72 12.01 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 124.84 3.693 . . . . 0.0 115.441 -174.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -35.48 -45.88 0.36 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 128.038 2.535 . . . . 0.0 113.445 166.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.3 p -60.05 -27.37 66.88 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.477 1.511 . . . . 0.0 114.866 -177.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -60.22 -24.51 64.89 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.315 0.962 . . . . 0.0 113.239 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -57.62 -28.18 63.44 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -65.56 -21.88 66.64 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.454 -0.779 . . . . 0.0 112.981 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 t80 33.26 57.09 1.53 Allowed Pre-proline 0 CA--C 1.558 1.262 0 C-N-CA 127.938 2.495 . . . . 0.0 114.147 175.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -81.04 51.56 3.99 Favored 'Trans proline' 0 CA--C 1.549 1.229 0 C-N-CA 124.797 3.664 . . . . 0.0 113.718 -157.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.265 31.2 p80 46.38 31.56 1.31 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 127.107 2.163 . . . . 0.0 114.729 -169.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -90.55 152.39 20.93 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.671 1.188 . . . . 0.0 111.04 168.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -121.08 109.44 15.04 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.149 1.38 . . . . 0.0 108.63 168.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.6 mt -76.96 31.27 0.13 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.1 1.36 . . . . 0.0 112.975 -176.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.8 t -62.38 152.9 32.79 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.302 1.441 . . . . 0.0 112.015 177.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -56.57 116.48 3.14 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.736 0.814 . . . . 0.0 111.421 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.69 12.74 79.53 Favored Glycine 0 CA--C 1.539 1.559 0 CA-C-O 118.83 -0.983 . . . . 0.0 115.397 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.4 t -51.61 116.45 2.11 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.113 1.456 . . . . 0.0 114.071 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.44 -27.04 68.27 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.11 -45.09 87.83 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.934 0.788 . . . . 0.0 111.833 174.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.81 -42.45 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.668 0.787 . . . . 0.0 111.254 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.73 -47.88 81.66 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.178 0.591 . . . . 0.0 111.743 175.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.86 -50.88 59.95 Favored Glycine 0 N--CA 1.468 0.768 0 C-N-CA 124.764 1.173 . . . . 0.0 112.409 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -59.39 -39.49 83.54 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.445 1.122 . . . . 0.0 112.054 174.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.33 -51.81 48.65 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 121.293 -0.879 . . . . 0.0 113.306 168.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -57.3 -41.76 80.46 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.401 1.08 . . . . 0.0 113.013 172.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -63.0 -51.94 64.9 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.948 1.249 . . . . 0.0 112.469 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 77.0 t -56.02 -44.58 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-N 119.361 0.982 . . . . 0.0 110.923 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -64.59 -46.14 83.98 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 177.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.88 -36.05 83.09 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.163 -0.961 . . . . 0.0 111.875 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.17 -37.92 89.11 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 169.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.97 -42.56 97.22 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 118.958 0.799 . . . . 0.0 112.069 168.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 57.1 m -58.68 -45.59 89.1 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.515 1.507 . . . . 0.0 111.788 172.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -57.96 -42.35 84.8 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.771 1.228 . . . . 0.0 112.497 172.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.93 -53.73 55.08 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.612 0.642 . . . . 0.0 111.328 171.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.9 t -56.7 -39.98 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.174 0.99 . . . . 0.0 111.993 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.06 -18.45 65.35 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -138.93 25.07 2.55 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.053 1.341 . . . . 0.0 112.313 -173.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.3 p -63.15 -23.42 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 -151.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.75 -4.38 57.7 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 174.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -124.02 2.32 8.65 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.769 2.428 . . . . 0.0 112.544 176.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.1 ptt? -54.67 -22.94 0.82 Allowed Pre-proline 0 CA--C 1.542 0.658 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 175.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -46.52 -23.38 2.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 123.236 2.624 . . . . 0.0 116.276 163.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -103.41 -42.43 5.71 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.611 1.096 . . . . 0.0 112.48 167.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.54 -11.05 21.23 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 88.1 mt -109.35 7.77 25.23 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.042 1.337 . . . . 0.0 113.537 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 94.9 p -56.03 -33.61 65.09 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -175.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.79 -17.54 49.95 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 174.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.2 mt -106.13 -39.44 5.96 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.233 1.013 . . . . 0.0 111.357 -169.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.8 p -55.82 -43.61 77.12 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.936 -0.554 . . . . 0.0 110.283 157.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -56.98 -52.77 63.93 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 171.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.1 pp -60.94 -37.29 81.82 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.987 1.267 . . . . 0.0 112.832 -175.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -72.37 -47.33 50.27 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.592 1.087 . . . . 0.0 111.264 173.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.2 70.43 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -116.02 12.3 15.61 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -173.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -145.17 -28.71 0.46 Allowed 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 116.747 2.129 . . . . 0.0 116.747 176.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 70.0 mt -139.49 -25.88 0.83 Allowed 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 117.061 2.245 . . . . 0.0 117.061 -166.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 27.71 42.78 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 130.392 3.477 . . . . 0.0 117.431 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 76.4 t -69.56 138.89 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 O-C-N 120.948 -1.095 . . . . 0.0 110.522 173.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.85 161.26 78.81 Favored Pre-proline 0 CA--C 1.556 1.208 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.34 -14.67 4.71 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 124.514 3.476 . . . . 0.0 118.761 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.2 p -55.45 -38.5 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 122.079 2.218 . . . . 0.0 112.415 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -65.34 -29.97 70.77 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.418 ' CD1' ' HB3' ' A' ' 133' ' ' SER . 0.0 OUTLIER -59.42 -57.51 12.65 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.828 1.195 . . . . 0.0 109.126 168.525 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -54.2 -48.92 70.46 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.139 0.576 . . . . 0.0 109.971 -172.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 56.9 mt -56.95 -61.11 2.67 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.36 1.064 . . . . 0.0 111.81 175.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -35.68 81.18 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.602 1.092 . . . . 0.0 111.625 -174.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.1 m -65.39 -44.16 88.38 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.818 1.19 . . . . 0.0 113.165 174.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -57.78 -46.8 84.06 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.252 -0.905 . . . . 0.0 110.564 170.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 99.3 m -63.68 -33.77 76.37 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 178.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.3 mt -64.88 -54.17 35.13 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 124.589 1.156 . . . . 0.0 111.067 171.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.4 mt -51.66 -44.02 62.89 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.602 0.761 . . . . 0.0 110.781 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.9 t -53.94 -48.09 63.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.53 1.132 . . . . 0.0 112.639 171.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -40.14 95.6 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.557 1.526 . . . . 0.0 113.457 171.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.8 mt -63.99 -43.98 94.03 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.098 0.863 . . . . 0.0 110.073 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.16 -34.79 46.49 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.175 0.99 . . . . 0.0 113.519 171.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.19 -9.84 59.67 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 -174.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -132.98 -31.13 1.31 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -175.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -72.46 171.47 9.77 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 118.855 0.752 . . . . 0.0 109.808 166.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.43 -158.47 0.01 OUTLIER 'Trans proline' 0 CA--C 1.546 1.091 0 C-N-CA 124.153 3.235 . . . . 0.0 113.241 156.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.7 52.57 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.02 1.728 . . . . 0.0 114.511 173.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -6.29 0.11 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.762 2.425 . . . . 0.0 115.643 -178.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -79.77 14.5 1.7 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.565 1.546 . . . . 0.0 113.871 168.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.5 p -54.16 155.87 6.18 Favored Pre-proline 0 N--CA 1.472 0.664 0 CA-C-N 119.383 0.992 . . . . 0.0 111.189 174.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -52.37 -31.56 47.98 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.478 2.119 . . . . 0.0 115.055 168.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.27 -33.33 65.19 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 175.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.1 t -110.7 -29.03 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 O-C-N 121.081 -1.012 . . . . 0.0 112.746 -166.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.37 -53.09 21.2 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 120.501 -1.374 . . . . 0.0 112.603 177.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.88 91.2 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 118.587 0.63 . . . . 0.0 110.539 172.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.6 t -49.2 -61.59 2.0 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.937 0.895 . . . . 0.0 111.943 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.05 -40.69 87.16 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.752 0.705 . . . . 0.0 112.717 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.66 -52.96 54.58 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.644 1.111 . . . . 0.0 111.984 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER -69.29 -25.42 64.24 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.319 0.648 . . . . 0.0 112.006 178.499 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -64.75 -54.87 24.67 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.912 1.233 . . . . 0.0 112.222 165.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.95 -37.47 82.48 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.894 1.224 . . . . 0.0 112.324 177.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.39 90.94 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 170.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.8 t -63.54 -42.01 98.42 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 120.384 -1.447 . . . . 0.0 112.318 170.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 66.8 t -58.73 -48.98 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 O-C-N 120.984 -1.073 . . . . 0.0 111.183 174.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.418 ' HB3' ' CD1' ' A' ' 98' ' ' PHE . 84.3 p -69.06 -40.62 78.41 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.338 0.972 . . . . 0.0 113.108 177.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.9 m -47.77 -51.15 23.42 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.001 1.32 . . . . 0.0 110.339 167.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 26.8 t -62.78 -44.76 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 O-C-N 121.438 -0.789 . . . . 0.0 111.586 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -13.64 23.79 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 176.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 2.5 t -115.59 -5.01 12.19 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.928 1.291 . . . . 0.0 113.051 175.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 68.7 m . . . . . 0 CA--C 1.547 0.865 0 O-C-N 120.662 -1.274 . . . . 0.0 110.971 149.674 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.339 2.6 p . . . . . 0 N--CA 1.513 2.709 0 CA-C-O 116.83 -1.557 . . . . 0.0 112.713 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 7.7 p80 24.7 71.51 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 127.581 2.352 . . . . 0.0 115.969 176.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.24 156.3 15.74 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.706 0.802 . . . . 0.0 111.64 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.6 p -68.12 160.88 72.46 Favored Pre-proline 0 N--CA 1.479 1.014 0 O-C-N 121.724 -0.61 . . . . 0.0 110.542 163.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.52 -40.24 84.54 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 122.571 2.181 . . . . 0.0 113.673 172.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.66 -40.76 72.81 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.273 0.629 . . . . 0.0 112.196 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -60.66 -51.3 69.98 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.675 -0.64 . . . . 0.0 111.01 172.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -57.34 -44.37 84.21 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 118.055 -0.974 . . . . 0.0 111.604 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.5 t -55.85 -49.97 71.87 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.651 0.659 . . . . 0.0 111.078 175.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.0 -51.11 71.48 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.446 HG23 ' CE1' ' B' ' 130' ' ' TYR . 2.8 p -66.37 -50.4 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 119.47 1.032 . . . . 0.0 112.108 177.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 27.1 m -67.92 -37.99 82.36 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 121.418 -0.801 . . . . 0.0 111.426 -170.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.71 94.24 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.255 0.934 . . . . 0.0 112.582 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.25 -40.68 77.73 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.695 -0.628 . . . . 0.0 111.055 175.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -37.38 72.32 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.794 -1.191 . . . . 0.0 112.924 168.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.53 -30.04 70.92 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.797 1.189 . . . . 0.0 114.994 175.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -100.51 -10.54 20.96 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 176.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.47 141.16 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 124.213 1.005 . . . . 0.0 112.424 -176.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -88.87 79.41 7.37 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.049 0.94 . . . . 0.0 109.772 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 89.1 t -48.1 -45.13 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 125.129 1.372 . . . . 0.0 114.616 -166.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.45 -54.62 43.38 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.903 0.881 . . . . 0.0 112.349 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -68.6 -54.91 13.57 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.521 0.728 . . . . 0.0 111.311 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.02 -33.42 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 O-C-N 121.514 -0.741 . . . . 0.0 112.696 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.0 -43.04 50.28 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.566 -0.574 . . . . 0.0 111.811 175.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.78 -45.83 94.91 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-N 118.05 0.925 . . . . 0.0 112.465 173.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -44.9 91.68 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 117.936 0.868 . . . . 0.0 111.028 172.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.22 -51.01 70.75 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 120.144 1.338 . . . . 0.0 112.709 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 tp -68.43 -35.72 78.03 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.569 -0.707 . . . . 0.0 111.825 -178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.25 -54.69 32.63 Favored Glycine 0 C--N 1.338 0.668 0 CA-C-N 119.391 0.996 . . . . 0.0 111.493 170.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.552 ' CD ' HG22 ' B' ' 113' ' ' VAL . 5.0 mtt-85 -45.42 -41.39 9.22 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 125.167 1.387 . . . . 0.0 113.648 175.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 31.7 tp -49.17 -52.76 24.61 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 124.022 0.826 . . . . 0.0 110.797 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.433 ' H ' HD22 ' B' ' 32' ' ' LEU . 0.6 OUTLIER -72.55 -32.73 66.3 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.278 179.824 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' B' ' 30' ' ' ARG . 0.8 OUTLIER -69.05 -9.1 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 178.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.44 -7.6 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-N 119.613 1.097 . . . . 0.0 112.997 166.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 10.3 t80 51.44 49.75 7.57 Favored Pre-proline 0 CA--C 1.561 1.379 0 O-C-N 120.466 -1.396 . . . . 0.0 113.915 -165.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -84.64 164.88 12.21 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.85 2.367 . . . . 0.0 113.182 -177.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -58.4 -30.24 66.69 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 165.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 64.6 p -56.6 -27.34 57.92 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 120.99 -1.069 . . . . 0.0 113.25 176.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -7.22 20.35 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 178.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -54.15 -24.74 19.12 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 121.463 1.938 . . . . 0.0 114.564 175.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -93.68 4.46 53.9 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 176.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.08 -18.84 1.59 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.83 -30.3 63.63 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.584 1.154 . . . . 0.0 113.629 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 80.8 p -79.69 -12.55 59.8 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -82.95 -15.4 51.44 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 120.992 -1.068 . . . . 0.0 111.873 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.82 25.63 74.11 Favored Glycine 0 N--CA 1.477 1.37 0 C-N-CA 125.397 1.475 . . . . 0.0 116.385 161.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -155.16 -119.33 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.247 1.019 . . . . 0.0 110.91 -164.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . 0.271 0.0 OUTLIER 51.64 3.52 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 130.513 3.525 . . . . 0.0 118.893 166.793 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 59.4 p -64.14 -17.92 63.93 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.345 1.458 . . . . 0.0 114.235 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 23.6 p -138.66 157.35 72.18 Favored Pre-proline 0 N--CA 1.473 0.698 0 C-N-CA 125.173 1.389 . . . . 0.0 111.437 172.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -63.94 -37.57 43.11 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.951 2.434 . . . . 0.0 113.989 177.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -71.33 -26.79 62.98 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.66 -51.57 26.88 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.622 0.769 . . . . 0.0 112.355 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -60.01 -35.6 62.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -171.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 27.3 ttm -83.72 -6.43 59.43 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.98 -20.67 5.19 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 125.14 1.352 . . . . 0.0 114.802 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -51.5 119.34 12.87 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 126.235 1.814 . . . . 0.0 113.067 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -47.09 -40.0 26.21 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 124.307 3.338 . . . . 0.0 115.308 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.88 -38.46 86.35 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.653 1.115 . . . . 0.0 112.556 178.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 85.1 t -69.53 -37.72 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 118.915 0.779 . . . . 0.0 111.253 173.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -61.46 -49.29 77.38 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.395 0.998 . . . . 0.0 112.024 171.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.42 -52.13 62.87 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.663 1.185 . . . . 0.0 112.717 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -34.03 72.27 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 120.89 -1.131 . . . . 0.0 111.324 173.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.12 -47.13 91.18 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.716 1.627 . . . . 0.0 113.957 169.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -57.76 -46.2 84.87 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 118.341 1.07 . . . . 0.0 111.003 169.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.72 -52.58 64.85 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.582 0.753 . . . . 0.0 112.619 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 p -58.31 -45.47 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-N 119.558 1.072 . . . . 0.0 112.019 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 tt -63.76 -40.21 96.14 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.78 -0.575 . . . . 0.0 111.681 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.01 -34.6 72.98 Favored Glycine 0 N--CA 1.473 1.101 0 C-N-CA 125.556 1.55 . . . . 0.0 114.926 177.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.17 -44.67 83.39 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.086 -1.244 . . . . 0.0 111.709 167.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.504 ' CE2' HD23 ' B' ' 110' ' ' LEU . 1.8 m-85 -62.91 -41.49 99.47 Favored 'General case' 0 CA--C 1.553 1.06 0 O-C-N 120.677 -1.265 . . . . 0.0 111.759 178.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.0 p -68.77 -39.04 80.42 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.761 -1.212 . . . . 0.0 113.12 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -58.4 -39.91 80.99 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 119.319 0.963 . . . . 0.0 111.868 169.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.85 -52.39 52.45 Favored Glycine 0 N--CA 1.467 0.744 0 C-N-CA 124.035 0.826 . . . . 0.0 112.132 174.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 32.0 mt -59.31 -8.97 1.92 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -111.74 -6.47 14.31 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.07 1.748 . . . . 0.0 114.262 176.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -138.43 30.02 2.4 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.891 1.677 . . . . 0.0 112.984 -177.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 76.4 mt -56.58 -20.69 22.15 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 -177.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -58.86 -40.75 85.24 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.126 0.97 . . . . 0.0 113.094 175.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -149.02 35.45 0.75 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.807 1.243 . . . . 0.0 113.286 -173.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -48.41 -28.05 3.01 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -54.12 -31.84 53.39 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.698 1.599 . . . . 0.0 113.523 176.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -89.12 -37.15 7.29 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.136 0.874 . . . . 0.0 113.855 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.95 -23.39 67.38 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 118.59 1.195 . . . . 0.0 113.955 -175.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -102.49 4.56 38.78 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -178.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.53 -35.1 52.66 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 120.784 1.629 . . . . 0.0 115.168 -170.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 24.7 p -66.66 -38.04 86.03 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.618 1.167 . . . . 0.0 112.947 173.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 30.0 mt -68.33 -41.46 80.75 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.778 0.831 . . . . 0.0 110.875 171.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -60.1 -38.39 82.82 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.011 0.823 . . . . 0.0 111.786 175.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.83 -49.3 75.46 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.616 -0.677 . . . . 0.0 112.199 171.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 45.8 tp -55.26 -51.18 67.46 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.099 -1.001 . . . . 0.0 111.57 174.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -76.07 -11.26 59.91 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -175.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 49.3 t -107.95 -80.87 0.57 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.326 1.05 . . . . 0.0 110.647 171.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -56.99 -20.69 25.36 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -172.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -116.33 -5.26 11.8 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 176.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 96.1 mt -144.07 -37.07 0.33 Allowed 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 -174.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 40.54 25.77 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.265 2.626 . . . . 0.0 116.129 -172.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 3.7 m -58.44 132.06 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.225 1.01 . . . . 0.0 111.93 -176.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.74 146.59 94.46 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 125.212 1.405 . . . . 0.0 113.499 -168.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -49.97 -36.5 44.28 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.842 3.028 . . . . 0.0 116.691 -175.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.96 -28.27 56.3 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.916 0.886 . . . . 0.0 112.893 174.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -69.38 -42.29 75.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.537 1.135 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -61.22 -47.76 84.6 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 122.883 0.473 . . . . 0.0 110.677 171.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -58.8 -41.27 86.32 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.699 0.8 . . . . 0.0 112.226 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.99 -48.29 82.52 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.37 0.668 . . . . 0.0 112.598 174.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.7 tt -61.98 -37.63 85.53 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.25 0.477 . . . . 0.0 111.162 175.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -50.92 -60.84 6.63 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 124.686 1.136 . . . . 0.0 114.162 167.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -50.12 -51.03 46.43 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.185 0.994 . . . . 0.0 111.595 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 48.6 t -57.07 -52.31 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 123.41 0.684 . . . . 0.0 111.963 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.504 HD23 ' CE2' ' B' ' 71' ' ' PHE . 46.3 tp -58.82 -50.38 74.17 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.812 0.845 . . . . 0.0 111.579 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 15.1 m -64.61 -32.41 57.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 118.628 0.649 . . . . 0.0 111.752 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 34.5 t -70.31 -29.01 65.63 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.458 -0.776 . . . . 0.0 112.485 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . 0.552 HG22 ' CD ' ' B' ' 30' ' ' ARG . 1.1 t -62.63 -36.96 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 O-C-N 120.705 -1.247 . . . . 0.0 111.025 171.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.81 -40.45 88.06 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.408 0.683 . . . . 0.0 110.033 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.27 -29.27 65.68 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 172.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -74.1 -62.89 1.35 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.665 1.12 . . . . 0.0 113.029 168.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -64.54 -24.0 67.46 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -171.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -126.91 36.46 4.45 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.057 1.743 . . . . 0.0 110.737 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.38 -13.63 23.21 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 125.572 1.558 . . . . 0.0 116.215 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -84.91 -7.75 59.04 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.718 1.207 . . . . 0.0 113.425 169.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -130.06 -4.28 4.48 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.379 1.871 . . . . 0.0 113.57 -170.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.39 40.7 0.08 Allowed 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 127.847 2.459 . . . . 0.0 115.713 -173.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 61.1 p -49.57 145.99 7.51 Favored Pre-proline 0 N--CA 1.477 0.894 0 O-C-N 119.776 -1.827 . . . . 0.0 113.149 -172.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_exo -42.63 -44.3 8.58 Favored 'Trans proline' 0 CA--C 1.548 1.189 0 C-N-CA 123.162 2.575 . . . . 0.0 115.84 174.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.24 -27.05 35.25 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.798 1.665 . . . . 0.0 115.381 173.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.91 -46.71 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 122.358 2.345 . . . . 0.0 112.483 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -63.63 -35.68 81.32 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.944 1.247 . . . . 0.0 111.667 174.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.84 95.55 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.972 0.806 . . . . 0.0 112.665 171.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.6 -47.1 87.72 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.326 0.65 . . . . 0.0 111.401 177.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 130' ' ' TYR . . . . . 0.446 ' CE1' HG23 ' B' ' 11' ' ' VAL . 30.2 m-85 -53.86 -55.47 26.46 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 122.458 0.303 . . . . 0.0 111.747 168.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -56.68 -36.19 69.32 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.807 -1.183 . . . . 0.0 113.233 -176.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -67.48 -38.48 84.47 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 120.189 1.359 . . . . 0.0 114.045 173.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.6 -33.69 50.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 CA-C-N 120.495 1.498 . . . . 0.0 112.429 171.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.44 HG22 ' CE2' ' B' ' 71' ' ' PHE . 47.2 t -68.61 -34.74 66.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-N 119.017 0.826 . . . . 0.0 111.866 175.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.17 -43.48 82.64 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 119.935 -1.728 . . . . 0.0 111.0 167.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.53 -52.58 50.98 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-O 119.636 -0.536 . . . . 0.0 113.222 170.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -42.91 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 118.378 1.089 . . . . 0.0 111.835 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.25 -47.43 79.67 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.883 0.873 . . . . 0.0 111.921 177.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -62.08 -36.3 81.26 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.3 -44.01 80.3 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.641 0.655 . . . . 0.0 112.441 174.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.49 -39.38 93.3 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.055 1.298 . . . . 0.0 111.896 172.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.97 -4.67 13.89 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 173.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -57.45 -37.82 73.46 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.126 -1.609 . . . . 0.0 113.557 -176.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -74.27 -4.07 33.91 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 174.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.554 1.12 0 C-N-CA 126.746 2.019 . . . . 0.0 113.255 -175.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.274 9.4 p . . . . . 0 N--CA 1.511 2.609 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 47.7 mt -110.89 176.06 5.18 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 120.502 1.501 . . . . 0.0 111.999 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 59.6 p -93.92 163.6 23.3 Favored Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 125.296 1.439 . . . . 0.0 110.726 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.84 -43.1 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.036 1.824 . . . . 0.0 112.948 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.03 -45.67 73.33 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.781 -0.575 . . . . 0.0 112.096 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -66.44 -33.01 74.75 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.432 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -52.83 -53.01 54.86 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 119.408 1.003 . . . . 0.0 111.619 170.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 88.0 m -58.27 -39.94 80.56 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.558 0.743 . . . . 0.0 111.09 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -69.47 -34.09 73.84 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 72.6 t -64.14 -50.09 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 119.317 0.962 . . . . 0.0 110.48 167.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -56.48 -47.19 79.75 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 119.226 0.921 . . . . 0.0 111.742 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.58 -48.0 82.4 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.225 1.01 . . . . 0.0 111.908 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.16 -51.86 61.82 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.959 0.504 . . . . 0.0 112.205 175.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -65.36 -25.41 67.57 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.228 -0.92 . . . . 0.0 113.214 -176.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.77 -42.15 94.33 Favored Glycine 0 CA--C 1.537 1.411 0 O-C-N 121.174 -0.954 . . . . 0.0 113.164 167.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -68.97 -31.62 70.62 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 118.138 0.969 . . . . 0.0 112.288 174.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' C' ' 21' ' ' ALA . 77.5 t -68.63 -14.53 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.803 1.641 . . . . 0.0 113.509 176.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.45 135.12 4.01 Favored Glycine 0 CA--C 1.542 1.762 0 C-N-CA 124.837 1.208 . . . . 0.0 114.638 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 59.44 -32.0 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 128.641 2.776 . . . . 0.0 116.961 -171.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -78.49 -11.25 59.94 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.068 1.347 . . . . 0.0 114.024 172.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.462 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -49.85 -49.02 50.73 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.793 1.237 . . . . 0.0 113.509 -175.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.19 -37.85 91.57 Favored Glycine 0 N--CA 1.474 1.202 0 O-C-N 121.622 -0.674 . . . . 0.0 113.932 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.92 -45.85 89.36 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.515 1.126 . . . . 0.0 111.418 170.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -64.68 -39.24 93.32 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.187 -0.946 . . . . 0.0 112.841 174.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.78 -47.45 90.91 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-N 118.885 0.766 . . . . 0.0 112.594 172.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.8 -47.09 87.91 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.765 0.826 . . . . 0.0 111.678 176.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -59.13 -40.38 85.3 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 171.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.05 93.23 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.63 1.104 . . . . 0.0 112.364 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.8 -50.87 69.3 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.44 1.096 . . . . 0.0 111.672 172.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -60.54 -48.94 79.54 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.368 0.667 . . . . 0.0 112.462 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 ttm105 -60.22 -41.48 93.16 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.899 1.279 . . . . 0.0 111.157 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 39.3 ttp -60.03 -49.18 78.66 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.358 0.981 . . . . 0.0 112.923 171.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -57.75 -39.0 76.33 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.961 -0.462 . . . . 0.0 112.199 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 76.7 mt -75.48 -41.55 55.18 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.585 0.754 . . . . 0.0 112.684 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 70.4 p -75.0 -22.79 58.31 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -174.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -139.68 73.6 34.53 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 125.01 1.324 . . . . 0.0 109.945 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -49.08 -27.62 12.53 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 124.909 3.739 . . . . 0.0 115.405 -174.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -35.39 -45.89 0.35 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 128.095 2.558 . . . . 0.0 113.382 166.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 77.0 p -60.71 -26.93 67.52 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.433 1.493 . . . . 0.0 114.7 -176.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -60.01 -24.62 64.63 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.273 0.942 . . . . 0.0 113.3 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -57.69 -28.09 63.51 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -65.57 -21.85 66.63 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 t80 33.29 56.93 1.53 Allowed Pre-proline 0 CA--C 1.556 1.198 0 C-N-CA 127.796 2.438 . . . . 0.0 114.249 175.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -81.05 51.61 4.01 Favored 'Trans proline' 0 CA--C 1.548 1.209 0 C-N-CA 124.793 3.662 . . . . 0.0 113.758 -157.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.266 31.3 p80 46.4 31.51 1.3 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 127.07 2.148 . . . . 0.0 114.715 -169.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -90.46 152.27 21.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.644 1.178 . . . . 0.0 111.139 168.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -120.92 109.45 15.12 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.243 1.417 . . . . 0.0 108.681 168.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 69.9 mt -76.76 31.23 0.13 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.973 1.309 . . . . 0.0 113.126 -176.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 14.0 t -62.32 153.04 32.11 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.2 1.4 . . . . 0.0 112.04 177.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -56.76 116.5 3.2 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.763 0.825 . . . . 0.0 111.432 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.82 12.67 79.45 Favored Glycine 0 CA--C 1.538 1.481 0 CA-C-O 118.862 -0.965 . . . . 0.0 115.348 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 47.5 t -51.61 116.45 2.11 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.225 1.512 . . . . 0.0 114.124 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -27.11 68.29 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.258 1.023 . . . . 0.0 113.703 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.18 -45.11 88.1 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 119.016 0.826 . . . . 0.0 111.809 175.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.83 -42.27 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.59 0.756 . . . . 0.0 111.303 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -62.9 -47.81 81.7 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.101 0.56 . . . . 0.0 111.639 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.92 -50.73 61.18 Favored Glycine 0 N--CA 1.467 0.725 0 C-N-CA 124.714 1.149 . . . . 0.0 112.473 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -59.47 -39.62 84.29 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.456 1.128 . . . . 0.0 111.949 174.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.21 -51.83 48.06 Favored Glycine 0 CA--C 1.532 1.126 0 O-C-N 121.347 -0.846 . . . . 0.0 113.323 168.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -57.38 -41.57 80.46 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.3 1.04 . . . . 0.0 113.002 172.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -63.27 -51.86 64.41 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 119.819 1.19 . . . . 0.0 112.409 175.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 77.5 t -55.98 -44.78 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 119.441 1.019 . . . . 0.0 110.934 176.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 63' ' ' ALA . . . . . 0.462 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -64.07 -46.94 82.09 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 176.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.28 -35.9 82.34 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.132 -0.98 . . . . 0.0 111.866 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.4 -38.04 89.62 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 169.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.55 -42.58 98.37 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.12 0.873 . . . . 0.0 112.308 168.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 57.3 m -58.72 -45.71 88.98 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 120.36 1.437 . . . . 0.0 111.677 172.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -58.05 -42.16 84.83 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.813 1.245 . . . . 0.0 112.419 172.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.02 -54.05 51.54 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.564 0.62 . . . . 0.0 111.252 171.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -56.44 -40.11 65.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.17 0.988 . . . . 0.0 111.912 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.1 -18.3 65.26 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -138.97 25.06 2.54 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.935 1.294 . . . . 0.0 112.242 -172.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 1.3 p -63.12 -23.47 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 -151.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.64 -4.35 57.83 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 174.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -124.02 2.45 8.66 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 127.702 2.401 . . . . 0.0 112.63 176.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 20.0 ptt? -54.53 -23.18 0.87 Allowed Pre-proline 0 CA--C 1.544 0.718 0 N-CA-C 116.602 2.075 . . . . 0.0 116.602 175.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -46.36 -23.59 2.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 C-N-CA 123.252 2.635 . . . . 0.0 116.238 163.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -103.27 -42.54 5.71 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.703 1.138 . . . . 0.0 112.44 168.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.42 -11.21 21.35 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 115.818 1.785 . . . . 0.0 115.818 -176.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 88.5 mt -109.38 8.08 25.29 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.884 1.274 . . . . 0.0 113.56 175.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 95.8 p -56.25 -33.58 65.57 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -175.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.59 -17.68 48.06 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 174.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 18.0 mt -105.98 -39.61 5.94 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.366 1.067 . . . . 0.0 111.391 -169.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 2.8 p -55.89 -43.79 77.56 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.989 -0.529 . . . . 0.0 110.091 157.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -56.86 -52.7 64.1 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 171.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 pp -60.91 -37.35 81.96 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.872 1.214 . . . . 0.0 112.767 -175.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -72.43 -47.28 50.26 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.638 1.108 . . . . 0.0 111.179 173.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.84 -32.45 70.68 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -177.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -115.82 12.38 15.85 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -173.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 9.8 ttpp -145.17 -28.79 0.45 Allowed 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 176.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 69.9 mt -139.33 -26.09 0.83 Allowed 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 -166.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 27.91 42.69 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 130.362 3.465 . . . . 0.0 117.37 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.41 138.65 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 O-C-N 121.016 -1.053 . . . . 0.0 110.538 172.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.67 161.21 78.63 Favored Pre-proline 0 CA--C 1.557 1.237 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -53.37 -14.77 4.87 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 124.516 3.477 . . . . 0.0 118.784 -178.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 5.1 p -55.24 -38.5 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 122.126 2.239 . . . . 0.0 112.579 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -65.42 -29.92 70.67 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 175.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . 0.419 ' CD1' ' HB3' ' C' ' 133' ' ' SER . 0.0 OUTLIER -59.53 -57.49 12.74 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 119.774 1.17 . . . . 0.0 109.13 168.514 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -54.04 -49.0 69.95 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.081 0.552 . . . . 0.0 110.075 -172.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 57.5 mt -57.36 -60.51 3.53 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.975 0.91 . . . . 0.0 111.945 175.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.56 -35.37 80.26 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.774 1.17 . . . . 0.0 111.801 -174.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 58.0 m -65.51 -44.23 87.64 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.648 1.113 . . . . 0.0 113.151 174.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 60.0 m170 -57.64 -47.05 83.31 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.285 0.948 . . . . 0.0 110.697 169.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 98.5 m -63.36 -34.04 76.85 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 19.8 mt -65.12 -53.51 44.1 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.54 1.136 . . . . 0.0 111.149 171.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 61.4 mt -51.87 -44.06 63.54 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.287 1.035 . . . . 0.0 110.64 176.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 10.1 t -54.15 -48.23 66.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 124.56 1.144 . . . . 0.0 112.539 171.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -40.68 96.99 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.361 1.437 . . . . 0.0 113.263 172.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.73 -43.74 95.62 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.296 0.953 . . . . 0.0 110.184 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.31 -34.77 48.43 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 171.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.89 -10.03 59.68 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -174.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -132.86 -31.38 1.32 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -174.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.2 mp -72.33 171.12 10.44 Favored Pre-proline 0 CA--C 1.554 1.125 0 CA-C-N 118.758 0.708 . . . . 0.0 109.894 166.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.31 -158.32 0.01 OUTLIER 'Trans proline' 0 CA--C 1.548 1.19 0 C-N-CA 124.145 3.23 . . . . 0.0 113.307 156.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.75 52.17 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.072 1.749 . . . . 0.0 114.716 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.16 -6.51 0.1 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 127.92 2.488 . . . . 0.0 115.626 -178.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -80.07 14.78 1.71 Allowed 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.494 1.518 . . . . 0.0 113.792 168.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 5.6 p -54.44 156.16 6.36 Favored Pre-proline 0 N--CA 1.468 0.474 0 CA-C-N 119.169 0.895 . . . . 0.0 110.991 174.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -52.8 -31.43 51.43 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 122.391 2.061 . . . . 0.0 115.082 168.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.21 -33.38 65.34 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 175.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 47.2 t -110.82 -28.97 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 121.092 -1.005 . . . . 0.0 112.605 -166.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.37 -53.2 20.65 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.662 -1.274 . . . . 0.0 112.532 177.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.83 91.08 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 118.797 0.726 . . . . 0.0 110.648 172.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 7.5 t -49.17 -61.85 1.85 Allowed 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.039 0.936 . . . . 0.0 111.961 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.76 -41.16 88.22 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.754 0.706 . . . . 0.0 112.851 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.0 -53.91 42.58 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.562 1.074 . . . . 0.0 112.007 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 127' ' ' LYS . . . . . . . . . . . . 0.272 0.0 OUTLIER -68.39 -25.55 65.11 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.324 0.65 . . . . 0.0 112.405 177.82 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -64.9 -54.87 23.95 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.868 1.213 . . . . 0.0 112.054 165.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.02 -37.3 82.06 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 120.027 1.285 . . . . 0.0 112.351 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.48 -38.48 91.29 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.471 0.708 . . . . 0.0 112.676 170.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 21.9 t -63.4 -42.14 98.77 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 120.445 -1.409 . . . . 0.0 112.49 169.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.6 -48.93 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 120.909 -1.12 . . . . 0.0 111.307 174.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 133' ' ' SER . . . . . 0.419 ' HB3' ' CD1' ' C' ' 98' ' ' PHE . 84.9 p -68.9 -40.78 78.96 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.275 0.943 . . . . 0.0 113.121 177.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 1.9 m -47.71 -51.3 22.45 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.954 1.302 . . . . 0.0 110.313 167.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 32.9 t -63.31 -42.16 95.36 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 O-C-N 121.406 -0.809 . . . . 0.0 112.917 175.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -13.48 40.08 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 174.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 2.4 t -115.35 -5.01 12.31 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.893 1.277 . . . . 0.0 113.185 175.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 CA--C 1.546 0.799 0 O-C-N 120.606 -1.309 . . . . 0.0 110.962 149.67 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.338 2.6 p . . . . . 0 N--CA 1.514 2.766 0 CA-C-O 116.849 -1.548 . . . . 0.0 112.712 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 7.7 p80 24.84 71.39 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 127.452 2.301 . . . . 0.0 115.983 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.07 156.14 15.58 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.803 0.841 . . . . 0.0 111.697 178.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 20.0 p -68.01 160.93 71.72 Favored Pre-proline 0 N--CA 1.477 0.905 0 O-C-N 121.692 -0.63 . . . . 0.0 110.607 163.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -54.53 -40.25 84.57 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 122.734 2.289 . . . . 0.0 113.646 172.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.67 -40.89 72.71 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.38 0.672 . . . . 0.0 112.252 178.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -60.42 -51.46 69.38 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.729 -0.607 . . . . 0.0 111.032 171.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -57.17 -44.47 83.55 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.626 177.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 34.5 t -55.77 -50.1 71.34 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 118.532 0.605 . . . . 0.0 110.995 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.77 -51.28 70.67 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 11' ' ' VAL . . . . . 0.443 HG23 ' CE1' ' D' ' 130' ' ' TYR . 2.6 p -67.73 -47.05 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 119.576 1.08 . . . . 0.0 112.556 178.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 27.6 m -69.83 -38.43 76.53 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 120.319 -1.488 . . . . 0.0 111.281 -171.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.95 -39.07 92.93 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.008 -1.058 . . . . 0.0 112.268 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.67 -40.58 76.33 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.988 -0.445 . . . . 0.0 110.925 175.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -37.27 72.08 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.031 -1.043 . . . . 0.0 112.971 168.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.65 -29.7 70.48 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.673 1.13 . . . . 0.0 114.995 175.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -100.74 -10.61 20.66 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.38 141.21 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.192 0.997 . . . . 0.0 112.496 -176.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -88.97 79.4 7.3 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.06 0.944 . . . . 0.0 109.677 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 88.1 t -48.05 -45.11 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 125.192 1.397 . . . . 0.0 114.604 -166.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -60.53 -54.88 40.16 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.775 0.83 . . . . 0.0 112.249 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -68.12 -55.1 13.63 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.443 0.697 . . . . 0.0 111.339 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 p -64.99 -33.38 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 O-C-N 121.492 -0.755 . . . . 0.0 112.583 -175.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.02 -42.87 50.65 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-N 118.474 0.579 . . . . 0.0 111.763 175.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.93 -45.54 95.45 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-N 118.031 0.916 . . . . 0.0 112.505 173.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -44.74 92.76 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 117.847 0.824 . . . . 0.0 111.027 172.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.91 -51.41 69.4 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 120.044 1.293 . . . . 0.0 112.688 176.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 tp -68.57 -35.44 77.39 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.641 -0.662 . . . . 0.0 111.892 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.416 ' O ' HG13 ' D' ' 33' ' ' VAL . . . -62.23 -54.6 33.34 Favored Glycine 0 N--CA 1.466 0.671 0 CA-C-N 119.463 1.029 . . . . 0.0 111.463 170.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 30' ' ' ARG . . . . . 0.536 ' CD ' HG22 ' D' ' 113' ' ' VAL . 4.7 mtt-85 -44.75 -44.91 9.63 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.642 1.577 . . . . 0.0 112.0 175.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 32.5 tp -46.38 -53.52 10.8 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.91 0.756 . . . . 0.0 110.563 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . 0.418 ' H ' HD22 ' D' ' 32' ' ' LEU . 0.6 OUTLIER -72.21 -32.84 67.12 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.02 0.827 . . . . 0.0 111.002 -179.528 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 33' ' ' VAL . . . . . 0.416 HG13 ' O ' ' D' ' 29' ' ' GLY . 0.8 OUTLIER -69.08 -9.03 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 178.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.52 -7.44 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-N 119.543 1.065 . . . . 0.0 112.996 166.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 10.3 t80 51.31 49.73 7.6 Favored Pre-proline 0 CA--C 1.564 1.511 0 O-C-N 120.48 -1.388 . . . . 0.0 113.878 -165.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -84.44 164.83 12.59 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.81 2.34 . . . . 0.0 113.191 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -58.3 -30.22 66.48 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 165.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 59.7 p -56.58 -27.34 57.68 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 120.843 -1.161 . . . . 0.0 113.184 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -6.97 19.44 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 178.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -54.47 -24.59 20.98 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 121.26 1.845 . . . . 0.0 114.649 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -93.63 4.41 53.99 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.748 1.219 . . . . 0.0 114.041 176.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.35 -18.72 1.72 Allowed 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 116.39 1.996 . . . . 0.0 116.39 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -56.61 -30.48 63.3 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.601 1.16 . . . . 0.0 113.743 177.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 81.0 p -79.66 -12.3 59.82 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 175.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -83.14 -15.43 50.73 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 121.106 -0.996 . . . . 0.0 111.795 177.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.88 25.69 74.15 Favored Glycine 0 N--CA 1.476 1.361 0 C-N-CA 125.391 1.472 . . . . 0.0 116.303 161.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -155.22 -119.26 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 124.249 1.02 . . . . 0.0 110.994 -164.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 48' ' ' LEU . . . . . . . . . . . . 0.267 0.0 OUTLIER 51.52 3.59 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 130.717 3.607 . . . . 0.0 118.826 166.769 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 59.6 p -64.09 -17.73 63.7 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.202 1.401 . . . . 0.0 114.38 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 22.8 p -138.76 157.27 72.14 Favored Pre-proline 0 N--CA 1.475 0.78 0 C-N-CA 125.195 1.398 . . . . 0.0 111.332 172.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -63.9 -37.45 44.23 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.922 2.415 . . . . 0.0 114.013 177.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.96 -28.67 64.64 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.29 -51.59 35.75 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.653 0.781 . . . . 0.0 112.378 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.93 -35.57 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -171.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 27.4 ttm -83.9 -6.27 59.39 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.82 -20.81 5.21 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.093 1.33 . . . . 0.0 114.918 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -51.35 119.39 12.66 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 126.304 1.842 . . . . 0.0 113.043 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.16 -39.97 26.7 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 124.248 3.299 . . . . 0.0 115.275 174.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.87 -38.44 86.32 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.671 1.123 . . . . 0.0 112.584 178.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 85.2 t -69.6 -37.69 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 118.78 0.718 . . . . 0.0 111.3 173.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -61.41 -49.49 76.65 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.339 0.972 . . . . 0.0 111.957 171.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.39 -51.88 63.97 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.502 1.121 . . . . 0.0 112.846 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -33.79 72.29 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.685 -1.259 . . . . 0.0 111.444 173.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.29 -47.12 91.47 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.799 1.666 . . . . 0.0 113.941 169.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -57.67 -46.19 84.58 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.366 1.083 . . . . 0.0 111.074 169.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.95 -52.34 65.9 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-O 118.454 -0.784 . . . . 0.0 112.668 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 p -58.12 -46.05 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 119.636 1.107 . . . . 0.0 112.116 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 tt -63.29 -40.1 96.42 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.587 -0.696 . . . . 0.0 111.768 176.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.44 -37.64 82.97 Favored Glycine 0 N--CA 1.47 0.961 0 C-N-CA 125.672 1.606 . . . . 0.0 113.145 177.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.38 -44.22 92.03 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 117.973 0.886 . . . . 0.0 111.898 169.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 71' ' ' PHE . . . . . 0.503 ' CE2' HD23 ' D' ' 110' ' ' LEU . 1.8 m-85 -63.1 -41.24 99.34 Favored 'General case' 0 CA--C 1.551 0.99 0 O-C-N 120.646 -1.284 . . . . 0.0 111.586 178.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 78.6 p -69.39 -37.96 77.77 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.931 -1.106 . . . . 0.0 113.336 174.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -58.43 -40.33 82.26 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.501 1.046 . . . . 0.0 111.552 168.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.95 -52.32 52.96 Favored Glycine 0 C--N 1.339 0.712 0 C-N-CA 124.073 0.844 . . . . 0.0 112.153 174.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 32.2 mt -59.11 -9.25 1.9 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.328 1.451 . . . . 0.0 114.91 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -111.49 -6.72 14.39 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.299 1.839 . . . . 0.0 114.382 176.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -138.34 30.04 2.42 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.702 1.601 . . . . 0.0 112.918 -177.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 75.5 mt -56.67 -20.45 21.61 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -177.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -59.05 -40.63 85.69 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.175 0.99 . . . . 0.0 113.067 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -149.06 35.44 0.75 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 124.753 1.221 . . . . 0.0 113.289 -173.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -48.39 -28.04 2.97 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -54.17 -31.81 53.75 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.64 1.576 . . . . 0.0 113.495 176.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -89.14 -37.06 7.31 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.15 0.881 . . . . 0.0 113.907 176.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.99 -23.47 67.46 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 118.576 1.188 . . . . 0.0 113.988 -175.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -102.41 4.53 38.95 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -177.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.53 -34.96 52.29 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 120.814 1.643 . . . . 0.0 115.23 -170.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 24.6 p -66.79 -38.09 85.86 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.708 1.203 . . . . 0.0 112.924 173.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 29.8 mt -68.31 -41.64 80.58 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.716 0.806 . . . . 0.0 110.918 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 3.5 m -59.72 -38.46 81.74 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.073 0.851 . . . . 0.0 111.906 174.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -62.94 -49.29 75.33 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.638 -0.664 . . . . 0.0 112.144 171.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 45.7 tp -55.26 -51.17 67.52 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.037 -1.04 . . . . 0.0 111.6 174.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -75.94 -11.43 59.96 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -175.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 49.2 t -107.95 -80.73 0.57 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.146 0.978 . . . . 0.0 110.696 171.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -56.95 -20.65 24.85 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 -172.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -116.32 -5.25 11.8 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 175.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 96.2 mt -144.19 -37.1 0.32 Allowed 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 40.67 25.76 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.163 2.585 . . . . 0.0 116.217 -172.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 3.6 m -58.54 132.01 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.235 1.014 . . . . 0.0 111.887 -176.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.56 146.6 93.74 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 125.198 1.399 . . . . 0.0 113.532 -168.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -50.0 -36.53 44.63 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.941 3.094 . . . . 0.0 116.734 -175.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.9 -27.91 54.22 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.986 0.915 . . . . 0.0 113.001 174.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -70.22 -41.97 72.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.302 1.041 . . . . 0.0 110.901 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -61.1 -47.9 84.18 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.172 0.589 . . . . 0.0 110.719 171.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -58.82 -40.82 85.29 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.969 0.908 . . . . 0.0 112.604 178.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.26 -48.42 81.5 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.593 0.757 . . . . 0.0 112.85 173.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.01 -37.83 86.33 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 118.569 0.622 . . . . 0.0 110.869 175.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -51.48 -60.34 7.43 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 125.045 1.307 . . . . 0.0 114.357 167.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -49.62 -51.74 35.41 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.796 1.238 . . . . 0.0 111.923 173.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.42 -53.52 39.47 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.949 0.9 . . . . 0.0 111.591 177.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 110' ' ' LEU . . . . . 0.503 HD23 ' CE2' ' D' ' 71' ' ' PHE . 46.2 tp -58.63 -49.88 75.89 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.09 0.859 . . . . 0.0 111.521 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 m -64.42 -32.47 57.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 C-N-CA 120.053 -0.659 . . . . 0.0 112.367 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 35.3 t -70.24 -28.26 65.11 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.08 -1.013 . . . . 0.0 112.398 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 113' ' ' VAL . . . . . 0.536 HG22 ' CD ' ' D' ' 30' ' ' ARG . 1.1 t -63.06 -37.27 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 O-C-N 120.753 -1.217 . . . . 0.0 111.346 171.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 mt -65.96 -41.05 91.73 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.939 0.896 . . . . 0.0 110.248 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.1 -29.34 65.39 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 172.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -74.23 -62.93 1.35 Allowed 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.802 1.183 . . . . 0.0 112.869 168.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -64.55 -23.98 67.45 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -171.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -127.14 36.4 4.43 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.002 1.721 . . . . 0.0 110.724 -177.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.28 -13.58 22.21 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 125.539 1.542 . . . . 0.0 116.253 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -84.99 -7.82 58.99 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.625 1.17 . . . . 0.0 113.468 169.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -129.69 -4.72 4.67 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.442 1.897 . . . . 0.0 113.671 -170.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.79 40.65 0.07 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 127.761 2.425 . . . . 0.0 115.935 -173.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 66.6 p -49.99 146.13 8.42 Favored Pre-proline 0 N--CA 1.473 0.682 0 O-C-N 119.719 -1.863 . . . . 0.0 113.179 -172.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -42.57 -44.54 8.45 Favored 'Trans proline' 0 CA--C 1.55 1.276 0 C-N-CA 123.184 2.589 . . . . 0.0 115.859 174.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.05 -26.96 36.52 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 121.709 1.606 . . . . 0.0 115.378 173.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.02 -46.49 78.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 122.364 2.347 . . . . 0.0 112.452 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -63.62 -36.05 82.53 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.177 1.353 . . . . 0.0 111.424 174.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.48 -45.58 93.21 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.989 0.813 . . . . 0.0 112.64 171.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.07 -48.1 82.84 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.908 0.883 . . . . 0.0 111.286 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 130' ' ' TYR . . . . . 0.443 ' CE1' HG23 ' D' ' 11' ' ' VAL . 29.2 m-85 -54.38 -54.43 40.62 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 122.074 -0.391 . . . . 0.0 111.509 169.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -57.28 -35.85 70.3 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.921 -1.112 . . . . 0.0 113.207 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -67.83 -38.12 82.79 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 120.021 1.282 . . . . 0.0 114.059 173.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 11.0 p -71.74 -33.77 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 120.469 1.486 . . . . 0.0 112.244 171.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 134' ' ' VAL . . . . . 0.448 HG22 ' CE2' ' D' ' 71' ' ' PHE . 48.6 t -68.69 -34.49 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 119.029 0.831 . . . . 0.0 111.847 174.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.9 -42.97 85.8 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.036 -1.04 . . . . 0.0 111.109 168.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.43 -52.68 50.29 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 123.519 0.58 . . . . 0.0 113.284 170.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.8 -43.15 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 118.416 1.108 . . . . 0.0 111.891 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.81 -47.88 79.08 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.015 0.926 . . . . 0.0 111.747 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -62.13 -36.24 81.19 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.764 -0.585 . . . . 0.0 112.563 174.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.0 -44.26 80.79 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.694 0.679 . . . . 0.0 112.422 174.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 8.3 mt -62.27 -39.69 93.74 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.273 1.397 . . . . 0.0 111.918 172.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.77 -4.64 13.04 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 173.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -57.65 -37.83 74.03 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 120.054 -1.654 . . . . 0.0 113.41 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -74.11 -4.13 33.79 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 174.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.84 -12.3 15.22 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.816 2.047 . . . . 0.0 113.201 -175.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.256 1.447 0 C-N-CA 127.201 2.201 . . . . 0.0 116.535 -173.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.509 2.486 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.8 mt -142.06 -167.41 2.46 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.738 1.615 . . . . 0.0 112.956 -170.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.26 164.0 30.5 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 127.899 2.48 . . . . 0.0 111.03 -178.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.04 -44.25 0.13 Allowed 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.436 2.09 . . . . 0.0 113.269 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.17 72.35 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.597 -0.689 . . . . 0.0 112.453 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.44 -45.52 84.59 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.615 0.643 . . . . 0.0 110.921 176.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -53.81 -49.54 68.12 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.863 0.865 . . . . 0.0 110.766 175.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.2 m -56.04 -45.58 79.17 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.384 0.674 . . . . 0.0 112.127 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -67.41 -35.62 79.65 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.555 -0.716 . . . . 0.0 112.611 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.5 t -65.22 -51.19 68.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 118.628 0.649 . . . . 0.0 111.192 172.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.3 -41.15 83.78 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.189 0.996 . . . . 0.0 111.036 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.7 -53.98 50.87 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.655 0.782 . . . . 0.0 111.841 173.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.46 -54.76 41.93 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.492 0.587 . . . . 0.0 111.352 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -62.14 -26.16 68.15 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.76 -41.36 98.94 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.761 1.172 . . . . 0.0 113.717 172.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -22.1 39.77 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 118.607 1.203 . . . . 0.0 112.867 170.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.7 t -62.18 -44.41 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-O 117.948 -1.025 . . . . 0.0 111.69 168.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 40.38 -128.88 2.96 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 124.976 1.274 . . . . 0.0 115.683 168.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.76 -24.59 67.83 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 121.168 -1.195 . . . . 0.0 114.048 175.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -67.46 -12.79 61.14 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.145 1.378 . . . . 0.0 113.197 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.545 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -46.68 -49.95 18.54 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.644 1.178 . . . . 0.0 114.131 -177.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.09 -39.92 97.64 Favored Glycine 0 CA--C 1.528 0.858 0 CA-C-O 119.531 -0.594 . . . . 0.0 113.605 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.85 -40.7 91.94 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 117.885 0.843 . . . . 0.0 111.522 175.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -66.78 -38.59 86.84 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.269 -0.895 . . . . 0.0 112.124 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.62 -50.55 65.99 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-N 119.011 0.823 . . . . 0.0 112.296 169.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.13 -51.12 69.11 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.998 0.919 . . . . 0.0 112.522 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.04 -43.47 91.66 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 123.193 0.597 . . . . 0.0 112.187 174.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.06 -35.71 77.68 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 118.816 0.735 . . . . 0.0 112.884 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.406 ' HA ' ' HE3' ' A' ' 32' ' ' MET . 46.8 mt -67.28 -53.68 27.65 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.622 0.769 . . . . 0.0 111.72 174.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -55.61 -45.33 77.5 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.951 0.882 . . . . 0.0 112.214 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.469 HH12 ' HB ' ' A' ' 107' ' ' VAL . 10.7 mmm-85 -55.12 -48.29 73.85 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.279 1.432 . . . . 0.0 112.96 170.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.406 ' HE3' ' HA ' ' A' ' 29' ' ' LEU . 3.9 tmm? -60.74 -41.8 96.09 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.544 1.065 . . . . 0.0 111.833 176.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -59.14 -43.32 92.03 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 120.226 1.375 . . . . 0.0 113.765 174.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.4 mt -75.61 -46.86 29.24 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.148 0.579 . . . . 0.0 111.437 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 t -86.5 -7.62 58.24 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.006 1.722 . . . . 0.0 114.253 -170.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CG ' HD13 ' A' ' 100' ' ' LEU . 2.0 t80 -144.27 72.15 16.17 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 123.993 0.917 . . . . 0.0 109.879 174.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -44.4 -29.53 3.18 Favored 'Trans proline' 0 C--N 1.359 1.104 1 C-N-CA 125.413 4.075 . . . . 0.0 116.556 -170.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.9 m -45.0 -35.53 2.96 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 125.849 1.659 . . . . 0.0 114.595 170.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 37.5 p -67.26 -26.07 66.38 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 121.225 1.83 . . . . 0.0 113.391 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -62.32 -26.4 68.41 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.627 -1.296 . . . . 0.0 112.446 166.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.542 HG21 ' HB2' ' D' ' 93' ' ' CYS . 0.4 OUTLIER -65.32 -17.33 64.43 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 170.638 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -0.45 6.73 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.767 1.167 . . . . 0.0 114.142 174.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 t80 47.99 59.82 16.21 Favored Pre-proline 0 CA--C 1.554 1.11 0 C-N-CA 125.252 1.421 . . . . 0.0 112.298 -171.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -55.05 133.7 59.6 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.262 1.975 . . . . 0.0 111.29 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -73.81 -11.35 60.35 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 172.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.76 155.51 30.01 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.636 1.974 . . . . 0.0 113.816 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.0 -33.8 17.05 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -176.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.9 mt 45.61 36.29 2.53 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 126.346 1.859 . . . . 0.0 114.246 -173.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.5 t -87.28 29.79 0.83 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.098 1.759 . . . . 0.0 114.229 -169.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.6 t60 61.79 138.04 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 127.65 2.38 . . . . 0.0 114.124 -165.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.93 15.92 58.8 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.698 1.142 . . . . 0.0 115.402 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -53.15 123.16 11.0 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.38 1.872 . . . . 0.0 115.017 -166.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.59 -29.19 64.27 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.087 1.355 . . . . 0.0 114.197 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -76.76 -36.31 57.15 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.529 -0.732 . . . . 0.0 112.788 176.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.9 t -72.65 -39.45 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.215 -0.928 . . . . 0.0 111.485 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -61.92 -39.57 92.5 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 119.664 1.12 . . . . 0.0 112.957 172.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.03 -47.15 39.6 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 124.104 0.859 . . . . 0.0 112.74 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -59.61 -44.38 93.43 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.958 -0.73 . . . . 0.0 111.059 171.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.24 -51.74 40.11 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 124.903 1.24 . . . . 0.0 113.403 173.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -55.71 -40.73 72.83 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 118.976 1.388 . . . . 0.0 112.931 171.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -46.15 69.51 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.536 1.062 . . . . 0.0 113.173 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.0 t -55.96 -46.15 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 124.564 1.145 . . . . 0.0 110.383 171.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.545 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -62.88 -46.77 86.28 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 177.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.51 -37.14 86.17 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 119.392 0.996 . . . . 0.0 111.828 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.33 -34.22 77.81 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.178 -0.951 . . . . 0.0 113.531 169.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.33 -44.95 93.46 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 120.176 1.353 . . . . 0.0 112.126 165.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.4 m -54.77 -44.5 73.74 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 120.583 1.538 . . . . 0.0 111.723 170.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -60.42 -40.81 92.39 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.262 1.025 . . . . 0.0 112.176 173.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.6 82.98 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 118.459 0.572 . . . . 0.0 111.237 172.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.0 t -58.74 -44.97 91.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 119.676 1.125 . . . . 0.0 112.029 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.21 -23.12 67.19 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.245 1.418 . . . . 0.0 113.923 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -137.11 34.81 2.56 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 125.266 1.426 . . . . 0.0 111.268 -171.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . 0.255 2.5 p -63.57 -21.79 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 O-C-N 119.359 -2.088 . . . . 0.0 115.459 -159.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -106.0 5.14 30.1 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.848 1.659 . . . . 0.0 113.007 173.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -133.92 -1.86 2.97 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.95 2.5 . . . . 0.0 112.393 -168.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.3 ptt? -73.09 -10.0 0.17 Allowed Pre-proline 0 CA--C 1.546 0.791 0 CA-C-O 114.199 -2.81 . . . . 0.0 118.008 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -38.91 -42.22 1.94 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 C-N-CA 123.834 3.023 . . . . 0.0 116.37 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -101.75 -18.4 15.82 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 171.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.0 -23.81 64.14 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 120.529 1.513 . . . . 0.0 114.093 -176.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.7 mt -96.52 7.5 46.37 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.595 0.758 . . . . 0.0 112.121 169.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.4 t -57.97 -39.93 79.4 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.057 1.299 . . . . 0.0 113.115 -174.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.65 -32.9 67.75 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 119.169 0.895 . . . . 0.0 112.6 173.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.64 -34.47 34.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.59 1.156 . . . . 0.0 111.551 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.0 t -59.6 -51.88 67.91 Favored 'General case' 0 N--CA 1.462 0.143 0 O-C-N 122.226 -0.296 . . . . 0.0 110.986 166.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -56.75 -37.87 71.62 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.433 1.093 . . . . 0.0 111.637 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.03 -71.27 0.09 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 118.045 -0.979 . . . . 0.0 111.431 161.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -19.17 64.03 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.999 1.272 . . . . 0.0 113.697 -165.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.73 -67.96 0.83 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 126.289 1.836 . . . . 0.0 110.349 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -64.87 -15.11 61.51 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -130.7 153.15 49.28 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.446 1.898 . . . . 0.0 110.42 169.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.0 mt 57.51 -17.73 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 117.972 2.582 . . . . 0.0 117.972 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.435 ' HD3' ' HA ' ' D' ' 41' ' ' PHE . 0.0 OUTLIER 52.77 22.29 2.25 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.878 2.471 . . . . 0.0 117.05 -171.453 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.2 t -35.19 105.89 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.435 1.894 . . . . 0.0 112.927 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.66 123.74 75.76 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-O 118.42 -0.8 . . . . 0.0 111.151 -177.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -55.52 -19.86 24.7 Favored 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 122.993 2.462 . . . . 0.0 114.583 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.1 t -57.92 -34.69 49.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 O-C-N 119.803 -1.811 . . . . 0.0 111.034 168.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.514 ' HB3' HMC1 ' A' ' 201' ' ' HEC . 66.5 m-20 -57.12 -36.8 71.09 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 120.256 1.389 . . . . 0.0 113.91 172.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 133' ' ' SER . 3.3 t80 -56.62 -45.13 81.66 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -59.18 -34.02 71.63 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.615 -0.678 . . . . 0.0 111.57 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.434 ' H ' ' HG ' ' A' ' 100' ' ' LEU . 1.4 mt -69.48 -51.03 39.77 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 124.821 1.249 . . . . 0.0 110.153 -178.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.641 HD21 HBB3 ' A' ' 201' ' ' HEC . 0.2 OUTLIER -62.27 -35.36 78.74 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 117.676 0.217 . . . . 0.0 110.812 176.079 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.7 m -66.62 -46.54 75.49 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.618 1.167 . . . . 0.0 113.146 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.479 ' CG ' HD21 ' B' ' 108' ' ' ASN . 0.4 OUTLIER -49.4 -49.98 42.47 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.477 0.58 . . . . 0.0 109.781 162.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 72.7 m -58.65 -40.08 82.42 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 117.727 -1.13 . . . . 0.0 113.821 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.3 mt -59.62 -58.42 8.67 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 117.522 -1.227 . . . . 0.0 111.674 168.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -45.15 -46.25 11.86 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.537 1.135 . . . . 0.0 110.933 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.529 HG22 ' HA ' ' B' ' 112' ' ' CYS . 55.4 t -59.15 -52.19 63.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 174.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 91.7 m -64.23 -36.84 85.39 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 122.015 -0.428 . . . . 0.0 112.138 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.3 mt -60.54 -46.93 88.36 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.336 0.654 . . . . 0.0 109.327 172.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.56 70.51 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.96 -5.07 3.95 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 172.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -134.81 -26.64 1.34 Allowed 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.4 mp -91.84 165.95 19.08 Favored Pre-proline 0 CA--C 1.559 1.293 0 C-N-CA 125.695 1.598 . . . . 0.0 113.294 -177.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.48 -56.97 1.21 Allowed 'Trans proline' 0 C--N 1.361 1.234 0 C-N-CA 124.001 3.134 . . . . 0.0 115.124 -170.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.67 -50.77 2.07 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.391 1.476 . . . . 0.0 111.115 171.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 64.3 -22.36 0.07 Allowed 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 -171.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -98.18 13.77 30.04 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.155 1.782 . . . . 0.0 114.842 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.46 163.86 13.53 Favored Pre-proline 0 N--CA 1.488 1.431 0 CA-C-N 120.445 1.475 . . . . 0.0 110.397 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -56.91 -50.25 12.05 Favored 'Trans proline' 0 C--N 1.348 0.552 0 CA-C-N 121.561 1.593 . . . . 0.0 111.486 169.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.5 86.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.993 0.917 . . . . 0.0 112.185 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.4 t -89.35 -41.47 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 121.297 -0.877 . . . . 0.0 112.564 -177.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -72.46 -50.32 26.97 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 120.202 1.365 . . . . 0.0 112.391 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.99 -45.49 82.95 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 119.456 1.026 . . . . 0.0 110.07 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 31.1 t -56.87 -58.7 7.0 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 174.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 58.8 mt -68.54 -33.32 73.89 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 120.466 1.485 . . . . 0.0 112.493 -174.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -62.08 -49.7 74.88 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 120.22 1.373 . . . . 0.0 112.012 170.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -29.81 57.61 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -178.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -66.02 -55.02 18.77 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 125.313 1.445 . . . . 0.0 109.736 170.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -58.61 -40.81 84.33 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.248 0.931 . . . . 0.0 108.73 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.82 -41.15 67.03 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 119.403 -2.061 . . . . 0.0 114.299 170.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.8 p -72.02 -35.47 69.42 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.946 1.703 . . . . 0.0 113.761 173.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.78 -41.96 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-N 119.814 1.188 . . . . 0.0 109.716 167.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.47 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . 3.6 t -59.39 -58.22 9.57 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.382 1.073 . . . . 0.0 111.771 169.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 55.3 m -49.66 -38.58 33.1 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.722 1.609 . . . . 0.0 112.71 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 77.5 t -83.99 -40.88 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 124.455 1.102 . . . . 0.0 112.155 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -26.28 60.36 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.59 1.541 . . . . 0.0 112.394 164.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 4.9 t -105.93 21.37 17.41 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.648 1.579 . . . . 0.0 112.56 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.9 m -56.48 162.16 2.31 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.743 -1.223 . . . . 0.0 112.543 163.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -74.43 -150.38 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 126.134 1.774 . . . . 0.0 110.888 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -52.27 -21.69 3.71 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 173.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 . . . . . 0 C--O 1.253 1.265 0 C-N-CA 128.211 2.604 . . . . 0.0 111.029 176.602 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.306 2.6 p . . . . . 0 N--CA 1.516 2.836 0 CA-C-O 118.021 -0.99 . . . . 0.0 112.728 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 3.3 m80 31.32 63.4 0.22 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 128.109 2.564 . . . . 0.0 115.411 175.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.85 158.45 13.04 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 121.551 -0.718 . . . . 0.0 112.742 -175.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.23 148.74 95.88 Favored Pre-proline 0 N--CA 1.476 0.853 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.17 171.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -49.68 -41.91 44.51 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.5 2.8 . . . . 0.0 116.544 -177.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.54 -41.68 92.8 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.59 1.086 . . . . 0.0 113.152 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.37 -49.4 77.75 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.239 0.615 . . . . 0.0 110.448 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -55.06 -48.65 73.19 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.115 0.966 . . . . 0.0 111.103 175.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.7 t -55.37 -47.93 75.04 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.903 0.774 . . . . 0.0 111.151 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.36 -56.05 27.08 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.578 -0.701 . . . . 0.0 112.862 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.535 HG23 ' CE2' ' B' ' 130' ' ' TYR . 2.6 p -64.56 -42.75 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 120.027 1.285 . . . . 0.0 111.804 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -77.09 -29.82 55.13 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.067 0.849 . . . . 0.0 111.356 -173.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.11 -34.01 65.9 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.417 1.008 . . . . 0.0 112.52 171.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -39.59 93.46 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.189 -0.944 . . . . 0.0 110.516 169.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -56.66 -45.74 81.47 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.442 0.697 . . . . 0.0 112.314 167.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.01 -27.06 43.96 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.855 1.217 . . . . 0.0 115.919 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -102.61 -6.81 22.37 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 118.693 1.246 . . . . 0.0 113.524 173.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.87 134.32 27.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 124.108 0.963 . . . . 0.0 111.819 -172.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -83.2 81.71 8.58 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 175.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 96.0 t -51.52 -37.58 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -167.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -70.17 -34.06 72.53 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.206 1.402 . . . . 0.0 114.399 174.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -98.75 -43.11 6.91 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.086 -1.009 . . . . 0.0 111.995 -173.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.35 -32.77 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 119.272 0.942 . . . . 0.0 110.69 163.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.88 -47.85 10.99 Favored Glycine 0 C--N 1.342 0.895 0 CA-C-N 119.566 1.076 . . . . 0.0 111.87 176.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.25 -42.41 55.86 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 117.869 0.835 . . . . 0.0 113.217 169.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.57 -29.69 27.61 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 117.736 -1.126 . . . . 0.0 112.903 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.63 -56.9 13.58 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 121.378 1.899 . . . . 0.0 109.641 168.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.24 -44.17 89.06 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 118.78 -0.628 . . . . 0.0 109.866 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -47.44 -60.23 5.38 Favored Glycine 0 N--CA 1.47 0.927 0 C-N-CA 125.194 1.378 . . . . 0.0 113.954 165.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -47.68 -45.52 28.34 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.486 1.515 . . . . 0.0 112.215 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.408 HD23 ' HG ' ' B' ' 32' ' ' LEU . 0.3 OUTLIER -63.68 -56.17 17.79 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.664 0.786 . . . . 0.0 110.663 174.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.408 ' HG ' HD23 ' B' ' 31' ' ' LEU . 92.9 mt -57.49 -36.2 71.21 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.862 0.865 . . . . 0.0 113.097 -174.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.424 HG13 HG11 ' B' ' 54' ' ' VAL . 34.6 m -74.34 -10.91 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -176.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -69.71 0.28 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 CA-C-N 121.018 1.735 . . . . 0.0 111.7 171.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 50.48 36.36 0.34 Allowed Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 126.089 1.756 . . . . 0.0 114.216 -165.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -77.6 -177.53 3.92 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.115 1.876 . . . . 0.0 110.779 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -48.69 -25.35 1.75 Allowed 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 175.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 81.3 p -67.77 -23.58 65.24 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 120.454 -1.403 . . . . 0.0 113.368 175.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -56.93 -21.59 31.17 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-O 118.326 -0.845 . . . . 0.0 112.715 169.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -58.09 -25.15 60.96 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 121.657 2.026 . . . . 0.0 113.52 171.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . 0.45 ' HA ' ' HD3' ' C' ' 92' ' ' ARG . 0.2 OUTLIER -88.71 5.66 42.25 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 173.468 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -48.82 -30.77 6.12 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 176.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.83 -30.63 71.7 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 57.8 m -80.43 -32.05 37.42 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.22 0.918 . . . . 0.0 111.982 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -68.6 -36.95 79.38 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.393 1.077 . . . . 0.0 111.155 171.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.94 -18.67 4.84 Favored Glycine 0 CA--C 1.539 1.556 0 O-C-N 119.978 -1.701 . . . . 0.0 114.184 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -144.53 125.82 14.75 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.907 1.683 . . . . 0.0 110.018 172.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 tt -165.36 -27.75 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.726 1.21 . . . . 0.0 113.311 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 2.3 m -54.53 -10.18 0.39 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 128.34 2.656 . . . . 0.0 117.099 -171.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.2 p -142.7 165.38 26.96 Favored Pre-proline 0 N--CA 1.476 0.871 0 C-N-CA 127.168 2.187 . . . . 0.0 109.475 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -56.7 -55.31 2.82 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 121.673 1.582 . . . . 0.0 112.168 173.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -61.0 -36.89 80.69 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.057 0.543 . . . . 0.0 111.53 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.22 -56.16 25.42 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.918 0.887 . . . . 0.0 111.855 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.424 HG11 HG13 ' B' ' 33' ' ' VAL . 0.3 OUTLIER -72.79 -41.29 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 120.315 1.416 . . . . 0.0 113.339 -176.624 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 23.8 mmt -66.66 -33.72 76.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.151 0.58 . . . . 0.0 111.801 -175.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.2 3.99 62.23 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.567 1.079 . . . . 0.0 114.971 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.475 ' OD1' HG23 ' B' ' 60' ' ' VAL . 8.2 t-20 -72.2 114.67 31.39 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-N 119.604 1.702 . . . . 0.0 112.118 -176.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -57.55 -32.47 94.4 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.072 1.848 . . . . 0.0 112.869 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -71.57 -36.68 70.99 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.475 HG23 ' OD1' ' B' ' 57' ' ' ASN . 55.5 t -67.17 -40.9 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-N 120.699 1.59 . . . . 0.0 110.746 170.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -63.3 -51.45 65.99 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.201 0.91 . . . . 0.0 111.169 174.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.13 -48.88 77.59 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.922 1.289 . . . . 0.0 113.226 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -62.52 -40.05 95.52 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.693 -1.254 . . . . 0.0 111.544 174.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.09 -46.07 33.56 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.491 1.52 . . . . 0.0 113.154 166.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -60.02 -41.14 91.52 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.172 0.986 . . . . 0.0 112.221 173.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -68.04 -50.27 56.29 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.155 0.888 . . . . 0.0 112.607 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 3.8 m -59.8 -40.66 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 CA-C-N 118.997 0.817 . . . . 0.0 112.006 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 tt -83.29 -30.81 27.28 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.418 -0.802 . . . . 0.0 112.036 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.57 -44.41 93.87 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 120.511 -1.368 . . . . 0.0 111.735 168.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.71 -45.0 94.79 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.974 -0.721 . . . . 0.0 112.853 169.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.443 ' CE2' ' CE1' ' B' ' 130' ' ' TYR . 88.4 t80 -53.09 -38.38 62.5 Favored 'General case' 0 CA--C 1.55 0.969 0 O-C-N 120.715 -1.24 . . . . 0.0 113.023 171.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 6.0 t -69.29 -38.81 78.48 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.458 1.103 . . . . 0.0 113.376 172.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -56.1 -32.49 64.22 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.815 0.734 . . . . 0.0 111.256 168.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.27 -67.38 2.24 Favored Glycine 0 C--N 1.342 0.868 0 C-N-CA 124.735 1.159 . . . . 0.0 112.299 164.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.05 -21.61 32.74 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.49 -25.62 35.87 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.369 1.468 . . . . 0.0 114.203 171.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -146.04 48.61 1.21 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.688 1.595 . . . . 0.0 111.953 -168.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 97.9 mt -62.36 -19.45 63.39 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 120.201 -1.562 . . . . 0.0 113.52 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -59.79 -15.18 18.52 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 166.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -94.14 -90.71 0.2 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.248 1.019 . . . . 0.0 111.267 176.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 mm? 52.85 18.03 0.98 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -174.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -148.81 -25.55 0.31 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 128.169 2.587 . . . . 0.0 112.924 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -116.72 -41.44 0.72 Allowed Glycine 0 N--CA 1.48 1.626 0 C-N-CA 125.163 1.363 . . . . 0.0 114.652 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.4 p -61.05 -34.1 74.35 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 119.059 1.429 . . . . 0.0 113.326 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -97.53 -7.14 32.03 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 124.102 0.961 . . . . 0.0 113.02 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.33 -40.94 83.43 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 120.92 1.691 . . . . 0.0 114.467 -169.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 12.1 p -60.96 -35.5 76.94 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.044 0.938 . . . . 0.0 112.103 171.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 18.7 mt -70.37 -48.59 55.59 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.251 172.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -55.21 -37.19 66.79 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 121.038 1.744 . . . . 0.0 112.772 176.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.44 -55.84 21.0 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 126.127 1.771 . . . . 0.0 112.773 168.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 54.8 tp -51.65 -52.49 47.47 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.236 -0.915 . . . . 0.0 110.295 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -74.84 25.5 0.09 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 129.123 2.969 . . . . 0.0 113.569 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . 0.568 ' HB2' HG21 ' C' ' 41' ' ' THR . 5.0 p -152.78 -67.3 0.16 Allowed 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 118.682 -0.675 . . . . 0.0 112.073 154.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -53.27 -20.07 3.85 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.671 2.388 . . . . 0.0 114.908 -177.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -121.15 -22.54 6.05 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.443 1.497 . . . . 0.0 114.34 169.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 17.2 mt -138.35 85.12 2.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.776 2.03 . . . . 0.0 108.085 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -56.99 -27.93 61.96 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' VAL . . . . . 0.551 ' CG1' HBC2 ' B' ' 201' ' ' HEC . 0.9 OUTLIER -7.25 115.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 129.244 3.018 . . . . 0.0 115.195 169.235 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.65 140.6 96.49 Favored Pre-proline 0 CA--C 1.545 0.773 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -163.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . 0.43 ' HD3' ' CE2' ' B' ' 145' ' ' TYR . 52.5 Cg_endo -70.68 -12.43 31.14 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.435 2.757 . . . . 0.0 114.295 -174.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -45.08 -39.13 5.57 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.59 1.156 . . . . 0.0 111.906 159.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.05 -39.74 94.74 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.328 1.851 . . . . 0.0 111.55 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -68.06 -42.66 80.17 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.661 1.585 . . . . 0.0 111.231 177.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -55.67 -46.7 77.51 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.321 1.049 . . . . 0.0 110.77 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 18.3 mt -63.26 -49.99 71.92 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 117.313 -1.327 . . . . 0.0 112.835 175.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.448 HD12 HMC3 ' B' ' 201' ' ' HEC . 1.4 tt -54.72 -48.58 72.35 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 120.275 1.398 . . . . 0.0 110.402 178.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . 0.479 ' HA3' HG13 ' B' ' 134' ' ' VAL . . . -49.85 -60.18 6.74 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 124.034 0.826 . . . . 0.0 114.298 172.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . 0.479 HD21 ' CG ' ' A' ' 103' ' ' HIS . 27.1 t-20 -53.1 -48.47 67.77 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.824 0.821 . . . . 0.0 111.039 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 2.9 t -58.9 -38.87 75.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 125.282 1.433 . . . . 0.0 113.564 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 51.6 tp -55.94 -51.96 65.82 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.655 -0.688 . . . . 0.0 109.782 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -52.66 -40.18 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 118.551 0.614 . . . . 0.0 111.293 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . 0.529 ' HA ' HG22 ' A' ' 107' ' ' VAL . 11.5 m -61.7 -49.79 75.04 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 178.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 5.1 p -63.96 -36.24 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 119.512 1.051 . . . . 0.0 111.87 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.439 HD13 ' CZ ' ' B' ' 130' ' ' TYR . 5.1 mt -58.39 -43.64 88.63 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 119.329 0.968 . . . . 0.0 111.755 174.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -68.98 -27.08 65.39 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -63.18 -56.99 12.09 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 120.172 1.351 . . . . 0.0 110.537 164.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -68.55 -25.81 65.1 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.986 0.915 . . . . 0.0 112.41 -167.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -132.35 41.87 3.17 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.111 1.764 . . . . 0.0 111.104 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -56.76 -17.87 22.71 Favored Glycine 0 N--CA 1.477 1.391 0 C-N-CA 125.757 1.646 . . . . 0.0 117.093 -176.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -84.97 -1.9 57.29 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 118.371 1.086 . . . . 0.0 113.025 173.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -136.03 4.65 3.0 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.923 2.089 . . . . 0.0 112.305 -168.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -78.73 30.56 0.2 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 126.407 1.883 . . . . 0.0 115.786 -166.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 7.5 p -40.0 148.26 0.32 Allowed Pre-proline 0 N--CA 1.487 1.387 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 -163.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -44.15 -45.96 11.65 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.683 2.255 . . . . 0.0 115.645 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.12 -29.26 6.67 Favored 'Trans proline' 0 C--N 1.354 0.853 0 CA-C-O 116.06 -1.725 . . . . 0.0 114.435 173.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.65 -37.77 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 CA-C-N 123.66 2.936 . . . . 0.0 112.525 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -69.19 -44.67 71.68 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.372 0.669 . . . . 0.0 111.732 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.46 93.79 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 170.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.73 -49.08 78.92 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.353 1.061 . . . . 0.0 110.034 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.535 ' CE2' HG23 ' B' ' 11' ' ' VAL . 0.3 OUTLIER -49.76 -54.69 17.51 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.916 0.886 . . . . 0.0 111.833 166.518 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.07 -37.51 71.94 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 118.247 -0.883 . . . . 0.0 112.824 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -62.88 -45.43 92.57 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 121.005 1.729 . . . . 0.0 112.516 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.67 -44.85 99.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 CA-C-N 118.786 0.721 . . . . 0.0 110.622 173.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.479 HG13 ' HA3' ' B' ' 107' ' ' GLY . 5.1 t -63.54 -47.65 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 125.628 1.571 . . . . 0.0 112.74 -177.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.55 91.24 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.605 1.162 . . . . 0.0 110.3 176.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.8 -53.77 28.21 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.977 162.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -45.59 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 119.268 1.534 . . . . 0.0 112.747 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.38 -45.18 85.09 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.657 -0.652 . . . . 0.0 111.198 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -61.64 -36.35 80.52 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.958 0.903 . . . . 0.0 112.293 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.12 -49.75 63.84 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.983 0.913 . . . . 0.0 111.406 176.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.58 -37.12 82.7 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.524 1.056 . . . . 0.0 111.601 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.64 -6.69 45.99 Favored 'General case' 0 CA--C 1.553 1.077 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 173.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -56.11 -42.35 76.67 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 119.832 -1.792 . . . . 0.0 112.7 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -63.46 -2.4 1.55 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.978 2.111 . . . . 0.0 114.718 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' TYR . . . . . 0.43 ' CE2' ' HD3' ' B' ' 100' ' ' PRO . 1.3 m-85 -99.84 6.79 45.31 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 127.457 2.303 . . . . 0.0 111.686 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.318 0 C-N-CA 127.662 2.385 . . . . 0.0 114.486 163.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.507 2.398 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 39.3 mt -142.08 -167.29 2.43 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.598 1.559 . . . . 0.0 112.803 -170.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.36 164.05 30.4 Favored Pre-proline 0 N--CA 1.476 0.834 0 C-N-CA 127.874 2.469 . . . . 0.0 111.007 -178.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.1 -44.27 0.13 Allowed 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.397 2.065 . . . . 0.0 113.152 -176.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.15 -31.99 71.95 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.586 -0.696 . . . . 0.0 112.371 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.54 -45.54 84.95 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.745 0.702 . . . . 0.0 110.93 176.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -53.73 -49.56 67.87 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.96 0.904 . . . . 0.0 110.699 175.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 53.4 m -55.98 -45.72 78.89 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.398 0.679 . . . . 0.0 112.059 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -67.46 -35.59 79.48 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.616 -0.677 . . . . 0.0 112.488 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 91.9 t -65.24 -51.16 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 118.645 0.657 . . . . 0.0 111.146 172.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -58.42 -41.14 84.36 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.159 0.984 . . . . 0.0 111.0 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.56 -53.94 51.46 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.49 0.716 . . . . 0.0 111.959 173.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.58 -54.64 43.55 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.466 0.575 . . . . 0.0 111.298 176.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -62.25 -26.2 68.25 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.53 -41.46 99.2 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.784 1.183 . . . . 0.0 113.785 172.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -22.11 39.87 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 118.631 1.216 . . . . 0.0 112.796 170.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.28 -44.25 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 117.962 -1.018 . . . . 0.0 111.717 168.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 40.29 -128.78 2.89 Favored Glycine 0 CA--C 1.541 1.697 0 C-N-CA 125.179 1.371 . . . . 0.0 115.551 168.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.85 -24.61 67.82 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.236 -1.155 . . . . 0.0 114.018 175.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -67.45 -12.63 60.75 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.129 1.371 . . . . 0.0 113.265 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.563 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -46.66 -50.05 18.31 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.702 1.201 . . . . 0.0 114.106 -177.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.16 -39.85 97.5 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-O 119.404 -0.664 . . . . 0.0 113.471 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.92 -40.76 91.75 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.032 0.916 . . . . 0.0 111.42 175.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -66.7 -38.67 87.21 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.212 -0.93 . . . . 0.0 112.1 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.62 -50.48 66.67 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-N 119.02 0.827 . . . . 0.0 112.279 169.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.01 -51.39 67.94 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.109 0.964 . . . . 0.0 112.511 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.84 -43.61 90.77 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.339 0.656 . . . . 0.0 112.128 174.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.7 77.71 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 118.822 0.737 . . . . 0.0 112.831 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . 0.41 ' HA ' ' HE3' ' C' ' 32' ' ' MET . 47.0 mt -67.25 -53.61 28.42 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.619 0.768 . . . . 0.0 111.742 174.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -55.63 -45.39 77.59 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.919 0.866 . . . . 0.0 112.2 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.483 HH12 ' HB ' ' C' ' 107' ' ' VAL . 10.7 mmm-85 -55.01 -48.35 73.48 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.261 1.425 . . . . 0.0 112.927 170.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' MET . . . . . 0.41 ' HE3' ' HA ' ' C' ' 29' ' ' LEU . 3.8 tmm? -60.85 -41.49 95.94 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.67 1.123 . . . . 0.0 111.85 176.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -59.38 -43.24 92.93 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.245 1.384 . . . . 0.0 113.71 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 30.5 mt -75.71 -46.89 28.59 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.113 0.565 . . . . 0.0 111.299 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 2.9 t -86.35 -7.77 58.21 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.02 1.728 . . . . 0.0 114.202 -170.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' PHE . . . . . 0.406 ' CG ' HD13 ' C' ' 100' ' ' LEU . 2.0 t80 -144.24 72.19 16.22 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 123.978 0.911 . . . . 0.0 109.876 174.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -44.25 -29.82 3.19 Favored 'Trans proline' 0 C--N 1.357 0.999 1 C-N-CA 125.488 4.125 . . . . 0.0 116.473 -170.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 2.8 m -44.88 -35.56 2.87 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 125.878 1.671 . . . . 0.0 114.588 170.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 38.5 p -67.16 -26.07 66.47 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 121.259 1.845 . . . . 0.0 113.417 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -62.38 -26.42 68.46 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.524 -1.36 . . . . 0.0 112.43 167.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . 0.568 HG21 ' HB2' ' B' ' 93' ' ' CYS . 0.4 OUTLIER -65.26 -17.3 64.39 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 170.589 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -0.62 6.89 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 174.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 t80 48.12 59.82 16.26 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 125.219 1.408 . . . . 0.0 112.266 -171.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -55.02 133.64 59.26 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.145 1.896 . . . . 0.0 111.425 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -73.8 -11.24 60.32 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 172.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.9 155.54 30.41 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.682 1.993 . . . . 0.0 113.812 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.04 -33.67 17.06 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -176.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 35.3 mt 45.52 36.3 2.44 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 126.422 1.889 . . . . 0.0 114.159 -173.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 2.5 t -87.09 29.76 0.81 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.104 1.762 . . . . 0.0 114.261 -169.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 22.8 t60 61.99 137.92 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 127.583 2.353 . . . . 0.0 114.034 -166.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.98 15.95 58.96 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 124.628 1.109 . . . . 0.0 115.356 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 49.3 m -53.12 123.19 11.05 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.323 1.849 . . . . 0.0 115.013 -166.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.59 -29.22 64.3 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.106 1.363 . . . . 0.0 114.168 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -76.72 -36.39 57.2 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.59 -0.693 . . . . 0.0 112.772 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 39.8 t -72.72 -39.4 60.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 O-C-N 121.073 -1.017 . . . . 0.0 111.542 -178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -61.95 -39.57 92.56 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 119.7 1.136 . . . . 0.0 112.909 172.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.92 -47.18 40.33 Favored Glycine 0 N--CA 1.472 1.05 0 C-N-CA 124.107 0.86 . . . . 0.0 112.851 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -59.66 -44.27 93.62 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.97 -0.723 . . . . 0.0 111.041 171.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.28 -51.81 39.96 Favored Glycine 0 C--N 1.34 0.801 0 C-N-CA 124.992 1.282 . . . . 0.0 113.331 173.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -55.72 -40.73 72.86 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.069 1.434 . . . . 0.0 113.049 171.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -46.1 69.85 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.505 1.048 . . . . 0.0 113.197 178.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 88.4 t -56.04 -46.13 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.669 1.188 . . . . 0.0 110.346 171.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . 0.563 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -62.81 -46.86 86.01 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 177.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -63.62 -36.93 85.43 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.31 0.959 . . . . 0.0 111.866 175.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.44 -34.23 77.8 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 169.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.31 -45.02 93.28 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 120.103 1.32 . . . . 0.0 112.112 165.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 61.3 m -54.65 -44.65 73.42 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 120.659 1.572 . . . . 0.0 111.685 170.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -60.15 -40.99 91.8 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.295 1.038 . . . . 0.0 112.298 173.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.49 83.46 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 118.95 -0.547 . . . . 0.0 111.248 172.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 86.0 t -58.86 -44.93 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.743 1.156 . . . . 0.0 112.015 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.07 -23.2 67.24 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.166 1.387 . . . . 0.0 113.991 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -137.06 34.73 2.58 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 125.198 1.399 . . . . 0.0 111.285 -171.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 2.6 p -63.58 -21.57 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 O-C-N 119.489 -2.007 . . . . 0.0 115.458 -159.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -106.09 5.21 29.96 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 125.763 1.625 . . . . 0.0 112.987 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -133.84 -2.08 2.98 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 128.004 2.521 . . . . 0.0 112.413 -168.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 15.2 ptt? -73.02 -9.95 0.16 Allowed Pre-proline 0 CA--C 1.545 0.77 0 CA-C-O 114.176 -2.821 . . . . 0.0 118.029 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -38.88 -42.28 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 C-N-CA 123.898 3.066 . . . . 0.0 116.34 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -101.81 -18.3 15.82 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 171.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.93 -23.99 64.23 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 120.603 1.547 . . . . 0.0 114.134 -176.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 39.5 mt -96.4 7.47 46.4 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.561 0.744 . . . . 0.0 112.154 169.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 35.2 t -57.85 -40.09 79.28 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 120.061 1.301 . . . . 0.0 113.095 -174.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.45 -33.06 67.55 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.192 -0.942 . . . . 0.0 112.621 173.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.51 -34.54 35.57 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.496 1.118 . . . . 0.0 111.531 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 40.1 t -59.57 -51.66 68.89 Favored 'General case' 0 C--N 1.34 0.167 0 O-C-N 122.051 -0.406 . . . . 0.0 111.104 166.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.08 -37.68 72.22 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.472 1.109 . . . . 0.0 111.6 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.01 -71.41 0.09 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 118.017 -0.992 . . . . 0.0 111.314 161.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -19.19 63.92 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 120.017 1.281 . . . . 0.0 113.676 -165.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.84 -67.83 0.84 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.3 1.84 . . . . 0.0 110.312 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -64.84 -15.13 61.44 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -175.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -130.72 153.1 49.35 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.615 1.966 . . . . 0.0 110.442 169.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 21.8 mt 57.37 -17.54 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 118.057 2.614 . . . . 0.0 118.057 175.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . 0.45 ' HD3' ' HA ' ' B' ' 41' ' ' PHE . 0.0 OUTLIER 52.64 22.34 2.19 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 127.864 2.466 . . . . 0.0 117.058 -171.543 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 5.2 t -35.21 106.04 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.52 1.928 . . . . 0.0 112.748 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.88 123.84 76.91 Favored Pre-proline 0 CA--C 1.544 0.744 0 CA-C-O 118.455 -0.783 . . . . 0.0 111.06 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -55.54 -19.84 24.76 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.861 2.374 . . . . 0.0 114.551 175.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 74.6 t -57.91 -34.64 49.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 119.721 -1.862 . . . . 0.0 111.018 169.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . 0.52 ' HB3' HMC1 ' C' ' 201' ' ' HEC . 66.8 m-20 -57.13 -36.72 71.04 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 120.298 1.408 . . . . 0.0 113.943 172.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . 0.462 ' CD1' ' HB2' ' C' ' 133' ' ' SER . 3.3 t80 -56.72 -45.03 82.13 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -59.31 -33.86 71.62 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.488 -0.758 . . . . 0.0 111.554 -176.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 100' ' ' LEU . . . . . 0.426 ' H ' ' HG ' ' C' ' 100' ' ' LEU . 1.4 mt -69.61 -51.14 37.77 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 124.898 1.279 . . . . 0.0 110.069 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . 0.641 HD21 HBB3 ' C' ' 201' ' ' HEC . 0.2 OUTLIER -62.29 -35.39 78.87 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 117.805 0.275 . . . . 0.0 110.756 176.198 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 66.4 m -66.53 -46.5 75.95 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.432 1.093 . . . . 0.0 113.254 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 103' ' ' HIS . . . . . 0.473 ' CG ' HD21 ' D' ' 108' ' ' ASN . 0.4 OUTLIER -49.25 -49.92 41.12 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.637 0.653 . . . . 0.0 109.857 162.708 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 73.9 m -58.8 -40.11 83.11 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 117.698 -1.144 . . . . 0.0 113.819 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 60.6 mt -59.48 -58.54 8.14 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 117.397 -1.287 . . . . 0.0 111.683 168.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 mt -45.07 -46.3 11.48 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.395 1.078 . . . . 0.0 110.957 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . 0.529 HG22 ' HA ' ' D' ' 112' ' ' CYS . 55.1 t -58.95 -52.44 60.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 174.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 87.1 m -63.97 -37.04 85.97 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.966 -0.459 . . . . 0.0 112.213 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 mt -60.42 -46.86 88.49 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.411 0.684 . . . . 0.0 109.36 172.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.52 70.68 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 177.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.75 -5.3 3.98 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 172.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -134.72 -26.67 1.36 Allowed 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 -176.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.4 mp -91.97 165.87 19.12 Favored Pre-proline 0 CA--C 1.556 1.205 0 C-N-CA 125.66 1.584 . . . . 0.0 113.339 -177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -58.4 -56.66 1.41 Allowed 'Trans proline' 0 C--N 1.363 1.307 0 C-N-CA 123.937 3.091 . . . . 0.0 115.24 -170.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.94 -50.95 2.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.338 1.455 . . . . 0.0 111.007 171.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 64.38 -22.31 0.07 Allowed 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -171.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -98.26 13.71 30.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.188 1.795 . . . . 0.0 114.89 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.5 163.87 13.61 Favored Pre-proline 0 N--CA 1.487 1.41 0 CA-C-N 120.349 1.431 . . . . 0.0 110.279 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -56.89 -50.17 12.32 Favored 'Trans proline' 0 C--N 1.351 0.695 0 CA-C-N 121.589 1.603 . . . . 0.0 111.592 169.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.6 87.09 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.018 0.927 . . . . 0.0 112.06 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 39.1 t -89.27 -41.42 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.273 -0.892 . . . . 0.0 112.581 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -72.38 -50.53 25.93 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.23 1.377 . . . . 0.0 112.282 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.34 83.41 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.319 0.963 . . . . 0.0 110.001 175.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 30.9 t -56.94 -58.68 7.12 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-O 118.4 -0.81 . . . . 0.0 113.181 174.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 59.0 mt -68.53 -33.3 73.88 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 120.483 1.492 . . . . 0.0 112.497 -174.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.17 -49.65 74.98 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 120.164 1.347 . . . . 0.0 112.051 170.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.14 -29.97 58.0 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -178.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -65.93 -54.94 19.95 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 125.19 1.396 . . . . 0.0 109.892 170.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -58.74 -40.75 84.73 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.214 0.915 . . . . 0.0 108.734 175.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.64 -41.34 66.66 Favored 'General case' 0 CA--C 1.55 0.978 0 O-C-N 119.391 -2.068 . . . . 0.0 114.23 170.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 28.4 p -71.87 -35.78 69.9 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 120.929 1.695 . . . . 0.0 113.672 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 56.3 t -56.7 -41.93 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 119.823 1.192 . . . . 0.0 109.627 167.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 133' ' ' SER . . . . . 0.462 ' HB2' ' CD1' ' C' ' 98' ' ' PHE . 3.6 t -59.33 -58.42 8.71 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.587 1.155 . . . . 0.0 111.671 169.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 55.3 m -49.65 -38.56 32.81 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.732 1.613 . . . . 0.0 112.612 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 76.4 t -83.93 -40.88 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 124.491 1.116 . . . . 0.0 112.303 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -26.35 60.48 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.533 1.515 . . . . 0.0 112.244 164.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 4.9 t -105.9 21.39 17.38 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.717 1.607 . . . . 0.0 112.591 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 27.1 m -56.41 162.18 2.26 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.75 -1.219 . . . . 0.0 112.483 163.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -74.41 -150.49 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 126.171 1.788 . . . . 0.0 110.828 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -52.17 -21.82 3.69 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 173.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 128.302 2.641 . . . . 0.0 111.007 176.653 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.303 2.6 p . . . . . 0 N--CA 1.519 2.985 0 CA-C-O 117.985 -1.007 . . . . 0.0 112.711 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 3.3 m80 31.35 63.31 0.22 Allowed 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 128.082 2.553 . . . . 0.0 115.375 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 158.38 13.04 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 121.567 -0.708 . . . . 0.0 112.78 -175.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.36 148.62 95.62 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.121 171.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -49.54 -41.87 43.5 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 123.399 2.733 . . . . 0.0 116.625 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.6 -41.73 92.44 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.714 1.143 . . . . 0.0 113.152 174.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.21 -49.59 77.03 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.408 0.683 . . . . 0.0 110.385 172.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -54.78 -48.9 72.12 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.063 0.945 . . . . 0.0 111.176 175.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -55.13 -48.05 74.19 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.935 0.789 . . . . 0.0 111.202 175.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.29 -56.04 27.25 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.451 -0.78 . . . . 0.0 112.93 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' VAL . . . . . 0.543 HG23 ' CE2' ' D' ' 130' ' ' TYR . 2.6 p -64.61 -42.66 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 119.973 1.26 . . . . 0.0 111.812 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -77.29 -29.75 53.93 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.016 0.825 . . . . 0.0 111.251 -173.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.17 -33.91 65.71 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.548 1.067 . . . . 0.0 112.439 171.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -39.19 92.23 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.167 -0.958 . . . . 0.0 110.664 169.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -56.81 -45.65 82.12 Favored 'General case' 0 C--O 1.21 -0.978 0 C-N-CA 123.489 0.715 . . . . 0.0 112.52 166.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.83 -27.37 43.66 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 124.829 1.204 . . . . 0.0 115.949 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -102.45 -6.97 22.34 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.671 1.236 . . . . 0.0 113.553 173.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.75 134.17 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 124.174 0.989 . . . . 0.0 111.852 -172.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -83.11 81.71 8.57 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 96.3 t -51.5 -37.56 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 119.766 1.166 . . . . 0.0 114.087 -167.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -70.27 -34.11 72.41 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.07 1.348 . . . . 0.0 114.347 174.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -98.61 -43.01 7.0 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.135 -0.978 . . . . 0.0 112.223 -173.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.44 -32.83 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 121.241 -0.912 . . . . 0.0 110.755 163.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.71 -48.11 10.88 Favored Glycine 0 C--N 1.344 1.006 0 CA-C-N 119.585 1.084 . . . . 0.0 111.857 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.01 -42.57 54.54 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-N 117.899 0.849 . . . . 0.0 113.127 169.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.54 -29.44 27.87 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-O 117.783 -1.103 . . . . 0.0 112.839 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.93 -56.8 14.01 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 121.401 1.909 . . . . 0.0 109.355 168.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 5.8 tp -65.42 -44.09 88.49 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 118.813 -0.613 . . . . 0.0 109.808 -176.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -47.53 -60.17 5.47 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 125.055 1.312 . . . . 0.0 113.965 165.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -47.7 -45.45 28.5 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.496 1.518 . . . . 0.0 112.146 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . 0.421 HD23 ' HG ' ' D' ' 32' ' ' LEU . 0.3 OUTLIER -63.87 -56.14 17.57 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.724 0.809 . . . . 0.0 110.579 174.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . 0.421 ' HG ' HD23 ' D' ' 31' ' ' LEU . 93.4 mt -57.52 -36.04 71.06 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -175.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' VAL . . . . . 0.429 HG13 HG11 ' D' ' 54' ' ' VAL . 34.6 m -74.3 -10.89 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 116.172 1.916 . . . . 0.0 116.172 -177.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.66 0.22 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 120.953 1.706 . . . . 0.0 111.72 171.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 50.56 36.29 0.34 Allowed Pre-proline 0 CA--C 1.556 1.175 0 C-N-CA 125.976 1.71 . . . . 0.0 114.291 -165.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -77.51 -177.63 3.99 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.184 1.923 . . . . 0.0 110.862 -176.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -48.7 -25.32 1.74 Allowed 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 175.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 81.0 p -67.66 -23.51 65.33 Favored 'General case' 0 N--CA 1.484 1.256 0 O-C-N 120.443 -1.41 . . . . 0.0 113.324 175.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -56.76 -21.57 29.34 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 118.279 -0.867 . . . . 0.0 112.911 169.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -58.17 -25.34 61.41 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.631 2.014 . . . . 0.0 113.649 171.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' PHE . . . . . 0.435 ' HA ' ' HD3' ' A' ' 92' ' ' ARG . 0.2 OUTLIER -88.57 5.59 42.07 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 173.409 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -48.77 -30.91 6.19 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 176.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.69 -30.65 71.73 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 58.0 m -80.56 -31.99 36.73 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 119.218 0.917 . . . . 0.0 111.793 174.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -68.75 -36.82 78.84 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.344 1.058 . . . . 0.0 111.081 171.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.9 -18.57 4.88 Favored Glycine 0 CA--C 1.539 1.543 0 O-C-N 120.067 -1.646 . . . . 0.0 114.165 176.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -144.51 126.48 15.43 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.906 1.682 . . . . 0.0 110.048 171.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 tt -165.92 -27.79 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.907 1.283 . . . . 0.0 113.222 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 2.3 m -54.56 -10.02 0.38 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 128.278 2.631 . . . . 0.0 117.159 -171.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 2.2 p -142.87 165.26 27.38 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 127.242 2.217 . . . . 0.0 109.469 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.6 -55.4 2.78 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 121.74 1.627 . . . . 0.0 112.13 173.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -60.93 -36.9 80.53 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.169 0.588 . . . . 0.0 111.593 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.13 -56.28 23.8 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.885 0.874 . . . . 0.0 111.821 174.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . 0.429 HG11 HG13 ' D' ' 33' ' ' VAL . 0.3 OUTLIER -72.83 -41.24 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 120.159 1.345 . . . . 0.0 113.333 -176.573 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 23.8 mmt -66.6 -33.81 76.5 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.149 0.58 . . . . 0.0 111.776 -175.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.08 3.9 62.4 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.665 1.126 . . . . 0.0 115.009 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 57' ' ' ASN . . . . . 0.481 ' OD1' HG23 ' D' ' 60' ' ' VAL . 8.2 t-20 -72.47 114.92 34.2 Favored Pre-proline 0 CA--C 1.542 0.637 0 CA-C-N 119.589 1.694 . . . . 0.0 112.037 -175.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -57.36 -33.18 95.76 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.165 1.91 . . . . 0.0 112.797 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -71.08 -36.53 72.27 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 60' ' ' VAL . . . . . 0.481 HG23 ' OD1' ' D' ' 57' ' ' ASN . 55.8 t -67.45 -40.69 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 CA-C-N 120.648 1.567 . . . . 0.0 110.68 170.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -63.38 -51.49 65.63 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.269 0.941 . . . . 0.0 111.107 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.1 -48.8 77.72 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.898 1.279 . . . . 0.0 113.361 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -62.78 -39.69 94.97 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.756 -1.215 . . . . 0.0 111.626 174.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.37 -46.01 36.05 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.408 1.48 . . . . 0.0 113.128 166.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -59.81 -41.23 90.8 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.255 1.028 . . . . 0.0 112.385 173.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -67.92 -50.34 56.64 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.033 0.833 . . . . 0.0 112.599 178.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 3.8 m -59.84 -40.64 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 CA-C-N 119.013 0.824 . . . . 0.0 112.081 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 tt -83.39 -30.81 27.07 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.402 -0.811 . . . . 0.0 111.901 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.55 -44.38 93.84 Favored Glycine 0 CA--C 1.533 1.191 0 O-C-N 120.45 -1.406 . . . . 0.0 111.773 168.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.8 95.17 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 169.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . 0.439 ' CE2' ' CE1' ' D' ' 130' ' ' TYR . 88.5 t80 -53.32 -38.37 63.14 Favored 'General case' 0 CA--C 1.549 0.917 0 O-C-N 120.771 -1.205 . . . . 0.0 112.877 171.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 6.0 t -69.33 -38.69 78.31 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.404 1.082 . . . . 0.0 113.387 172.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -56.18 -32.45 64.35 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.836 0.743 . . . . 0.0 111.212 168.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.21 -67.44 2.21 Favored Glycine 0 C--N 1.34 0.756 0 C-N-CA 124.789 1.185 . . . . 0.0 112.325 164.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.09 -21.65 33.6 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.41 -25.6 36.06 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.381 1.472 . . . . 0.0 114.295 171.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -145.99 48.74 1.21 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.68 1.592 . . . . 0.0 111.956 -168.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 98.2 mt -62.57 -19.43 63.68 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 120.125 -1.61 . . . . 0.0 113.366 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -59.82 -15.13 18.4 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.458 1.503 . . . . 0.0 115.043 166.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -94.26 -90.69 0.21 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.091 0.956 . . . . 0.0 111.203 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 mm? 52.74 18.16 0.97 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -174.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -148.81 -25.69 0.31 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 128.131 2.572 . . . . 0.0 112.801 -176.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -116.61 -41.46 0.73 Allowed Glycine 0 N--CA 1.48 1.601 0 C-N-CA 125.231 1.396 . . . . 0.0 114.67 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.3 p -61.1 -34.18 74.53 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 119.08 1.44 . . . . 0.0 113.296 175.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -97.47 -7.12 32.26 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 124.164 0.986 . . . . 0.0 112.972 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.48 -40.81 83.78 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 121.046 1.748 . . . . 0.0 114.433 -169.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 11.9 p -61.08 -35.41 76.91 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.121 0.968 . . . . 0.0 112.022 171.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 18.8 mt -70.55 -48.44 55.38 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-O 117.851 -1.071 . . . . 0.0 110.294 172.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -55.12 -37.36 66.79 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 121.104 1.775 . . . . 0.0 112.726 176.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.49 -55.57 23.04 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.12 1.768 . . . . 0.0 112.883 168.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 54.6 tp -51.84 -52.54 48.67 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.234 -0.916 . . . . 0.0 110.177 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -74.74 25.5 0.09 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 129.062 2.945 . . . . 0.0 113.567 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 93' ' ' CYS . . . . . 0.542 ' HB2' HG21 ' A' ' 41' ' ' THR . 4.8 p -152.86 -67.3 0.16 Allowed 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 118.685 -0.674 . . . . 0.0 112.028 154.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -53.35 -20.16 4.14 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 127.715 2.406 . . . . 0.0 114.805 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -121.04 -22.73 6.04 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.404 1.481 . . . . 0.0 114.279 169.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 16.8 mt -138.22 85.07 2.07 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.841 2.057 . . . . 0.0 108.243 -177.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -56.89 -27.99 61.34 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 98' ' ' VAL . . . . . 0.547 ' CG1' HBC2 ' D' ' 201' ' ' HEC . 0.9 OUTLIER -7.26 115.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 129.299 3.04 . . . . 0.0 115.158 169.273 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.62 140.58 96.52 Favored Pre-proline 0 CA--C 1.546 0.793 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -163.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 100' ' ' PRO . . . . . 0.434 ' HD3' ' CE2' ' D' ' 145' ' ' TYR . 52.6 Cg_endo -70.71 -12.27 30.84 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.372 2.714 . . . . 0.0 114.305 -174.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -45.12 -39.24 5.79 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.668 1.187 . . . . 0.0 111.781 159.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -63.99 -39.59 94.46 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.245 1.818 . . . . 0.0 111.588 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -68.21 -42.67 79.49 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.865 1.666 . . . . 0.0 111.142 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -55.7 -46.7 77.61 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.308 1.043 . . . . 0.0 110.796 174.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 18.3 mt -63.18 -49.92 72.37 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 117.327 -1.32 . . . . 0.0 112.928 175.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . 0.44 HD12 HMC3 ' D' ' 201' ' ' HEC . 1.4 tt -54.86 -48.16 73.28 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 120.293 1.406 . . . . 0.0 110.398 178.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 107' ' ' GLY . . . . . 0.489 ' HA3' HG13 ' D' ' 134' ' ' VAL . . . -50.61 -59.82 7.5 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 123.93 0.776 . . . . 0.0 114.06 172.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 108' ' ' ASN . . . . . 0.473 HD21 ' CG ' ' C' ' 103' ' ' HIS . 27.2 t-20 -53.07 -48.46 67.7 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 122.006 0.908 . . . . 0.0 110.963 178.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.12 -38.48 74.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 125.343 1.457 . . . . 0.0 113.572 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 50.7 tp -56.39 -51.86 66.75 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.377 0.671 . . . . 0.0 109.642 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -52.62 -40.24 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 118.551 0.614 . . . . 0.0 111.267 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 112' ' ' CYS . . . . . 0.529 ' HA ' HG22 ' C' ' 107' ' ' VAL . 11.7 m -61.67 -50.02 74.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 178.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 5.3 p -63.6 -36.23 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 119.508 1.049 . . . . 0.0 112.067 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 114' ' ' LEU . . . . . 0.432 HD13 ' CZ ' ' D' ' 130' ' ' TYR . 5.1 mt -58.53 -43.51 89.24 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.056 0.844 . . . . 0.0 111.821 174.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.09 -26.97 65.2 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 173.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -63.2 -57.05 11.8 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 120.203 1.365 . . . . 0.0 110.5 164.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -68.52 -25.85 65.15 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.005 0.922 . . . . 0.0 112.432 -167.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -132.23 41.72 3.2 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.199 1.8 . . . . 0.0 111.208 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -56.69 -18.0 22.68 Favored Glycine 0 N--CA 1.477 1.43 0 C-N-CA 125.775 1.655 . . . . 0.0 117.017 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -84.79 -1.97 57.07 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 118.372 1.086 . . . . 0.0 113.084 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -136.13 4.68 2.98 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.857 2.063 . . . . 0.0 112.216 -168.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -78.62 30.55 0.19 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 126.47 1.908 . . . . 0.0 115.794 -166.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 7.4 p -40.15 148.37 0.33 Allowed Pre-proline 0 N--CA 1.486 1.353 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -163.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -44.08 -46.09 11.41 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.698 2.265 . . . . 0.0 115.664 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.94 -29.36 6.88 Favored 'Trans proline' 0 C--N 1.353 0.812 0 CA-C-O 116.162 -1.683 . . . . 0.0 114.463 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.69 -37.85 80.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 CA-C-N 123.663 2.938 . . . . 0.0 112.567 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -69.07 -44.91 71.62 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.363 0.665 . . . . 0.0 111.773 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.64 92.9 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 169.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.38 77.46 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.146 0.978 . . . . 0.0 109.988 176.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 130' ' ' TYR . . . . . 0.543 ' CE2' HG23 ' D' ' 11' ' ' VAL . 0.3 OUTLIER -49.5 -54.71 16.37 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.925 0.89 . . . . 0.0 111.735 166.738 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -37.48 71.89 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 118.318 -0.848 . . . . 0.0 112.737 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -63.2 -45.26 92.56 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.951 1.705 . . . . 0.0 112.35 175.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.79 -44.72 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 CA-C-N 118.853 0.752 . . . . 0.0 110.639 173.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 134' ' ' VAL . . . . . 0.489 HG13 ' HA3' ' D' ' 107' ' ' GLY . 5.1 t -63.61 -47.58 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.577 1.551 . . . . 0.0 112.658 -177.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.43 91.2 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.557 1.143 . . . . 0.0 110.405 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.79 -53.91 27.53 Favored Glycine 0 C--N 1.343 0.958 0 CA-C-O 119.12 -0.822 . . . . 0.0 113.067 162.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -56.9 -45.75 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 119.267 1.533 . . . . 0.0 112.78 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.28 -45.1 85.79 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.618 -0.676 . . . . 0.0 111.272 177.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -61.86 -36.07 80.16 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.981 0.913 . . . . 0.0 112.237 174.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.34 -49.69 63.04 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 124.064 0.946 . . . . 0.0 111.335 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.61 -36.98 82.28 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.645 1.112 . . . . 0.0 111.662 174.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.72 -6.65 46.0 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 114.989 1.478 . . . . 0.0 114.989 173.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -56.08 -42.41 76.67 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 119.909 -1.745 . . . . 0.0 112.659 -177.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -63.46 -2.29 1.51 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.931 2.092 . . . . 0.0 114.724 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 145' ' ' TYR . . . . . 0.434 ' CE2' ' HD3' ' D' ' 100' ' ' PRO . 1.3 m-85 -100.0 6.68 45.08 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 127.508 2.323 . . . . 0.0 111.51 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.365 0 C-N-CA 127.653 2.381 . . . . 0.0 114.437 163.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.641 HBB3 HD21 ' A' ' 101' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' HEC . . . . . 0.551 HBC2 ' CG1' ' B' ' 98' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 201' ' ' HEC . . . . . 0.641 HBB3 HD21 ' C' ' 101' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 201' ' ' HEC . . . . . 0.547 HBC2 ' CG1' ' D' ' 98' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 24.3 m . . . . . 0 N--CA 1.507 2.377 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.461 HD13 HG22 ' A' ' 73' ' ' VAL . 5.1 mp -140.56 -171.11 3.15 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 119.974 -1.704 . . . . 0.0 110.749 172.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 p -112.76 141.3 25.17 Favored Pre-proline 0 N--CA 1.476 0.853 0 C-N-CA 126.188 1.795 . . . . 0.0 112.033 -176.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.25 -48.74 20.2 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 124.049 3.166 . . . . 0.0 116.126 -169.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.2 -40.0 92.34 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 122.155 -0.34 . . . . 0.0 111.5 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.98 -39.87 95.09 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.79 0.436 . . . . 0.0 111.062 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -55.91 -49.9 72.18 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.628 0.649 . . . . 0.0 110.991 171.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.7 m -59.37 -44.66 92.69 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.63 0.772 . . . . 0.0 111.79 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -62.18 -41.79 98.66 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.56 -0.713 . . . . 0.0 111.975 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.2 t -61.15 -49.16 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.841 1.256 . . . . 0.0 111.463 173.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -58.44 -46.45 86.52 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 118.912 0.778 . . . . 0.0 111.637 175.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.91 -52.6 64.83 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.467 0.707 . . . . 0.0 111.514 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.88 -51.88 67.33 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.307 0.643 . . . . 0.0 111.954 177.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -64.01 -28.03 69.52 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.501 -0.749 . . . . 0.0 112.994 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.05 -42.45 99.59 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.497 1.046 . . . . 0.0 113.256 170.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -70.25 -35.08 73.58 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.664 1.232 . . . . 0.0 111.365 174.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.46 -50.47 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.043 0.937 . . . . 0.0 111.595 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.55 -139.15 9.64 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.02 0.819 . . . . 0.0 114.23 178.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.11 -22.44 50.86 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -69.94 -6.57 33.95 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 174.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.68 -47.15 29.71 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.416 1.007 . . . . 0.0 113.158 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.33 -37.89 95.56 Favored Glycine 0 N--CA 1.471 0.989 0 O-C-N 121.979 -0.45 . . . . 0.0 113.579 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -63.84 -46.15 86.36 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.953 0.901 . . . . 0.0 110.76 174.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -68.6 -36.86 79.25 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.35 -51.52 58.29 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 118.849 0.749 . . . . 0.0 112.164 170.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.69 -50.47 68.19 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.522 0.729 . . . . 0.0 111.617 175.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -67.78 -35.62 79.0 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -177.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.83 -37.85 83.44 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.098 0.863 . . . . 0.0 112.674 172.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.4 mt -64.37 -51.45 63.22 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.698 0.681 . . . . 0.0 111.534 173.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -57.28 -46.05 83.5 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.026 0.83 . . . . 0.0 112.257 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.5 ttm105 -58.81 -47.31 85.23 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 125.075 1.35 . . . . 0.0 111.64 174.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 61.8 ttp -53.49 -46.33 69.96 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.515 1.052 . . . . 0.0 112.922 173.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -61.34 -17.47 54.01 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 174.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.1 mt -100.63 -46.53 5.15 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.387 1.075 . . . . 0.0 110.299 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.2 m -68.07 -29.2 68.1 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 126.926 2.09 . . . . 0.0 114.668 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -135.15 76.12 58.4 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 125.861 1.664 . . . . 0.0 109.826 -177.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -46.64 -25.6 3.7 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 124.74 3.626 . . . . 0.0 115.476 -178.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.591 ' O ' HG22 ' A' ' 41' ' ' THR . 3.9 m -46.28 -38.74 8.99 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.848 1.659 . . . . 0.0 114.508 170.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.8 p -65.12 -31.42 72.61 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 119.695 -1.878 . . . . 0.0 112.349 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -58.57 -34.58 71.21 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.983 1.313 . . . . 0.0 112.344 173.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.596 HG21 ' SG ' ' D' ' 93' ' ' CYS . 0.6 OUTLIER -65.87 -19.06 65.74 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 179.147 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.583 ' CE2' HG22 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -67.4 -9.52 42.38 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 121.212 -0.93 . . . . 0.0 113.237 175.781 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 46.71 64.36 8.49 Favored Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 124.927 1.291 . . . . 0.0 112.352 -168.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -47.81 145.02 10.44 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 123.869 3.046 . . . . 0.0 114.861 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.46 4.45 4.79 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 -175.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.88 -175.94 3.95 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.752 1.621 . . . . 0.0 113.406 -168.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -122.67 142.8 50.28 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.88 1.272 . . . . 0.0 111.179 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -145.62 31.29 1.08 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.923 1.289 . . . . 0.0 113.114 -165.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.5 t -73.81 38.4 0.1 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.609 1.964 . . . . 0.0 114.347 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.1 m170 63.24 147.13 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 129.0 2.92 . . . . 0.0 114.385 -170.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.91 17.5 51.12 Favored Glycine 0 CA--C 1.543 1.813 0 C-N-CA 124.522 1.058 . . . . 0.0 115.551 -176.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -62.31 133.01 54.53 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.775 1.23 . . . . 0.0 113.562 -170.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.69 -27.47 67.89 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.107 1.363 . . . . 0.0 113.266 171.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -82.94 -40.72 19.74 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.437 0.695 . . . . 0.0 111.471 177.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.92 -41.69 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 O-C-N 121.489 -0.757 . . . . 0.0 111.962 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -62.12 -38.86 90.54 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 119.783 1.174 . . . . 0.0 112.696 175.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.63 -53.49 27.73 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 124.174 0.893 . . . . 0.0 111.936 176.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -56.2 -44.68 79.72 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 117.661 0.731 . . . . 0.0 111.56 174.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.52 -48.68 64.02 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.281 0.943 . . . . 0.0 114.123 172.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -56.18 -42.93 77.87 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 118.55 1.175 . . . . 0.0 112.926 170.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.46 -42.02 68.68 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.063 0.847 . . . . 0.0 111.157 -178.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.8 t -55.4 -49.07 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.723 1.209 . . . . 0.0 110.437 169.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.28 86.94 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -63.77 -39.16 93.59 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.127 0.876 . . . . 0.0 112.253 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.05 81.68 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.421 -0.799 . . . . 0.0 112.626 169.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.94 -42.88 94.29 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.38 -0.825 . . . . 0.0 111.635 170.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.9 m -57.39 -44.38 84.44 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.851 1.205 . . . . 0.0 111.96 171.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -58.47 -47.66 83.33 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.804 0.842 . . . . 0.0 110.933 171.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.21 -32.08 70.77 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 174.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.2 t -71.89 -48.79 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 120.125 1.33 . . . . 0.0 110.679 171.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.47 -27.8 67.83 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.217 1.407 . . . . 0.0 113.588 -177.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -124.07 28.03 6.93 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 125.572 1.549 . . . . 0.0 112.105 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.461 HG22 HD13 ' A' ' 2' ' ' LEU . 14.3 p -50.32 -37.21 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 115.17 1.544 . . . . 0.0 115.17 -171.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -103.34 9.48 37.92 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -142.03 33.8 1.55 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.003 2.121 . . . . 0.0 111.122 -171.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.0 ptt? -116.49 55.75 1.39 Allowed Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 125.711 1.605 . . . . 0.0 113.178 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -65.15 -37.25 33.1 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 122.028 1.818 . . . . 0.0 112.269 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -142.76 19.3 2.0 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.532 1.533 . . . . 0.0 113.08 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.81 -10.36 36.98 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 120.131 -1.605 . . . . 0.0 114.548 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.1 mt -113.41 17.67 18.28 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.943 1.697 . . . . 0.0 111.55 171.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.0 t -56.83 -38.74 73.05 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.601 1.16 . . . . 0.0 112.746 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.15 -28.8 59.38 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 173.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mt -84.0 -41.94 16.74 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.007 0.923 . . . . 0.0 111.395 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.4 t -54.81 -42.55 71.98 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 122.682 0.393 . . . . 0.0 111.08 166.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -63.07 -45.81 90.4 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.004 1.322 . . . . 0.0 112.315 174.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.91 -44.82 70.86 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.885 0.766 . . . . 0.0 111.364 173.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -67.51 -63.27 1.09 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.458 0.572 . . . . 0.0 110.888 174.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.06 -30.92 71.97 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -169.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -103.18 2.45 34.5 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.165 0.986 . . . . 0.0 113.159 -171.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -149.76 -32.68 0.2 Allowed 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -174.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 97.2 mt -124.92 -117.91 0.28 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.063 1.745 . . . . 0.0 107.872 168.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 155.64 48.03 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.263 0 C-N-CA 130.495 3.518 . . . . 0.0 113.206 163.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.583 HG22 ' CE2' ' A' ' 42' ' ' TYR . 23.9 t -68.65 140.17 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 O-C-N 120.584 -1.322 . . . . 0.0 112.692 -169.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.71 143.03 51.58 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 126.365 1.866 . . . . 0.0 113.629 175.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.63 -22.14 65.74 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.951 2.434 . . . . 0.0 113.251 165.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 36.9 t -52.38 -46.57 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 O-C-N 120.776 -1.203 . . . . 0.0 110.756 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -60.99 -40.97 95.55 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.896 0.771 . . . . 0.0 112.189 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 3.3 t80 -54.06 -46.78 72.06 Favored 'General case' 0 C--N 1.343 0.287 0 O-C-N 121.539 -0.725 . . . . 0.0 111.264 173.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -56.67 -34.8 67.71 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 118.73 0.695 . . . . 0.0 111.741 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.0 mt -63.77 -52.05 62.1 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.149 0.979 . . . . 0.0 110.678 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -41.44 92.94 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.305 1.042 . . . . 0.0 111.99 174.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.0 t -54.3 -52.17 62.3 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.805 1.242 . . . . 0.0 111.927 173.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -58.3 -42.39 86.54 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.197 -0.939 . . . . 0.0 111.246 173.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 87.6 m -70.16 -9.34 55.38 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 175.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.5 mt -92.13 -47.81 7.05 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.139 1.776 . . . . 0.0 111.767 168.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 54.5 mt -51.22 -46.85 62.38 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.611 1.165 . . . . 0.0 111.128 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.475 HG23 ' HA ' ' B' ' 112' ' ' CYS . 7.1 p -52.55 -44.8 46.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 169.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -64.1 -43.18 96.16 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 123.314 0.646 . . . . 0.0 111.029 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.4 -45.92 88.82 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.41 -32.19 64.6 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.95 -17.61 62.06 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 175.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -118.99 -30.41 5.02 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -174.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.6 mp -78.34 175.91 4.17 Favored Pre-proline 0 CA--C 1.554 1.132 0 C-N-CA 124.55 1.14 . . . . 0.0 110.835 172.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.49 -154.46 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.653 3.569 . . . . 0.0 113.316 156.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.39 57.95 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.779 1.632 . . . . 0.0 114.488 174.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -42.47 -27.61 0.17 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 127.772 2.429 . . . . 0.0 114.249 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -69.8 6.89 1.02 Allowed 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 116.318 1.97 . . . . 0.0 116.318 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.76 160.48 2.82 Favored Pre-proline 0 N--CA 1.49 1.571 0 CA-C-N 121.281 1.855 . . . . 0.0 112.523 175.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -54.45 -50.3 13.92 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.154 1.902 . . . . 0.0 112.491 169.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.49 -54.43 43.43 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.58 0.352 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 46.0 t -75.07 -40.72 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 120.999 -1.063 . . . . 0.0 111.994 -172.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -74.7 -47.5 31.16 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 120.155 1.343 . . . . 0.0 112.709 178.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.63 -47.43 84.44 Favored 'General case' 0 C--N 1.345 0.413 0 CA-C-N 120.1 1.318 . . . . 0.0 110.718 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 99.5 p -60.57 -48.22 82.75 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 117.324 -1.322 . . . . 0.0 113.453 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 78.2 mt -67.42 -43.83 80.29 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 120.798 1.635 . . . . 0.0 111.886 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.63 -51.09 71.29 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.402 1.001 . . . . 0.0 112.014 177.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.65 -29.27 64.44 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 178.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -62.97 -53.78 48.62 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 119.586 1.085 . . . . 0.0 110.786 170.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 15.7 mt -59.13 -39.62 82.91 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.688 176.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.23 -42.98 74.1 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 120.796 1.635 . . . . 0.0 113.179 168.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.0 t -64.15 -43.45 95.15 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.11 -0.994 . . . . 0.0 113.096 172.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.5 t -55.07 -43.84 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 O-C-N 121.279 -0.888 . . . . 0.0 110.317 171.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.4 t -57.28 -52.19 66.34 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.782 1.233 . . . . 0.0 112.754 172.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 58.0 m -51.86 -46.31 64.4 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.078 0.951 . . . . 0.0 111.528 175.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.28 -41.2 80.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 O-C-N 121.413 -0.805 . . . . 0.0 112.283 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.91 -15.5 22.14 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.61 1.164 . . . . 0.0 113.737 168.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 20.3 m -101.28 -11.5 19.42 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.87 1.668 . . . . 0.0 111.771 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.8 t -64.73 151.38 45.28 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.972 1.309 . . . . 0.0 112.997 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -144.13 179.66 7.07 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.046 1.738 . . . . 0.0 111.799 -170.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -52.15 141.3 18.99 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.813 0.845 . . . . 0.0 112.447 169.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 . . . . . 0 C--O 1.254 1.322 0 C-N-CA 125.146 1.378 . . . . 0.0 113.856 173.147 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.33 3.3 p . . . . . 0 N--CA 1.513 2.723 0 CA-C-O 116.93 -1.509 . . . . 0.0 113.344 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 26.84 62.06 0.09 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 127.392 2.277 . . . . 0.0 115.931 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 146.99 37.11 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 120.966 -1.084 . . . . 0.0 109.808 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.67 157.98 62.87 Favored Pre-proline 0 N--CA 1.481 1.103 0 CA-C-O 118.667 -0.682 . . . . 0.0 109.873 171.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -52.9 -36.92 76.64 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.595 2.197 . . . . 0.0 114.68 172.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -75.92 -37.86 58.28 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.154 0.888 . . . . 0.0 112.05 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -63.2 -49.55 73.79 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 118.693 -0.67 . . . . 0.0 111.155 171.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -54.23 -49.18 70.07 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.164 1.385 . . . . 0.0 111.072 174.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.6 t -54.2 -46.98 72.56 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.827 0.74 . . . . 0.0 111.194 175.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.54 74.43 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 p -63.93 -52.9 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 CA-C-N 120.13 1.332 . . . . 0.0 111.716 176.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -73.84 -31.0 62.99 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.138 -0.976 . . . . 0.0 112.891 -171.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.86 -37.16 81.47 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 120.511 1.505 . . . . 0.0 112.073 172.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -40.54 95.45 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.596 0.634 . . . . 0.0 110.776 168.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -54.46 -45.83 73.21 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.142 0.883 . . . . 0.0 111.323 171.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.6 -25.97 56.36 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 125.721 1.629 . . . . 0.0 115.578 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -102.05 -12.75 17.89 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.786 1.293 . . . . 0.0 113.581 172.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.89 137.49 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 124.518 1.127 . . . . 0.0 111.977 -173.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -87.41 82.2 7.61 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.621 0.769 . . . . 0.0 108.94 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 61.5 t -53.04 -39.43 32.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 124.123 0.969 . . . . 0.0 113.237 -169.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.21 -6.17 50.15 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -122.17 -51.88 1.98 Allowed 'General case' 0 N--CA 1.473 0.704 0 O-C-N 120.365 -1.46 . . . . 0.0 110.769 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.75 -29.27 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 119.431 1.014 . . . . 0.0 112.351 170.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.81 -42.22 46.8 Favored Glycine 0 N--CA 1.472 1.053 0 CA-C-N 119.48 1.036 . . . . 0.0 112.303 173.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.89 -41.07 99.61 Favored Glycine 0 N--CA 1.47 0.953 0 CA-C-N 117.812 0.806 . . . . 0.0 112.499 171.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -64.21 -39.5 94.11 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 125.073 1.349 . . . . 0.0 111.823 171.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.49 -53.69 48.08 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 120.145 1.339 . . . . 0.0 110.428 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.05 -42.33 99.08 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.083 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -52.5 -62.94 5.34 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-N 119.494 1.043 . . . . 0.0 112.832 170.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 ttt-85 -47.84 -36.78 12.5 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 126.016 1.726 . . . . 0.0 113.611 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tp -69.83 -62.26 1.45 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.693 1.197 . . . . 0.0 110.396 170.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.401 HD22 HD11 ' B' ' 48' ' ' LEU . 9.4 mt -64.98 -12.65 52.4 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.426 1.091 . . . . 0.0 113.749 -170.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.41 ' C ' ' H ' ' B' ' 35' ' ' TYR . 18.2 m -99.46 -3.69 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 115.872 1.805 . . . . 0.0 115.872 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.87 8.36 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 CA-C-N 122.509 2.413 . . . . 0.0 112.585 167.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . 0.41 ' H ' ' C ' ' B' ' 33' ' ' VAL . 3.8 t80 44.77 41.94 0.85 Allowed Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 126.674 1.99 . . . . 0.0 113.699 -158.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -75.87 175.29 11.49 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 121.917 1.745 . . . . 0.0 110.402 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -55.48 -22.67 21.89 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 166.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -21.86 66.06 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 119.109 -2.244 . . . . 0.0 113.504 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -56.15 -23.36 34.31 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 171.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -54.95 -22.85 16.44 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 176.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.03 5.51 46.31 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 175.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.74 -25.96 8.52 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.21 -34.63 68.74 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 173.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 77.6 p -90.19 -5.33 56.53 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.581 1.082 . . . . 0.0 112.995 172.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -106.93 -2.8 20.87 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.145 1.378 . . . . 0.0 113.597 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.32 -123.57 29.84 Favored Glycine 0 CA--C 1.535 1.332 0 CA-C-N 120.929 1.695 . . . . 0.0 113.048 175.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.55 111.87 2.23 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.614 0.766 . . . . 0.0 111.428 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.401 HD11 HD22 ' B' ' 32' ' ' LEU . 6.2 tt -146.3 -24.39 0.44 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 24.5 p -60.92 -4.08 0.92 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 -171.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . 0.415 ' HB ' ' HD2' ' B' ' 51' ' ' PRO . 6.5 p -143.07 163.72 36.1 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 126.606 1.962 . . . . 0.0 109.775 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.415 ' HD2' ' HB ' ' B' ' 50' ' ' THR . 4.6 Cg_endo -57.8 -53.43 4.46 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.989 1.792 . . . . 0.0 112.372 175.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -63.09 -27.77 69.62 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.581 1.152 . . . . 0.0 113.108 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.17 -64.25 0.91 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.762 0.71 . . . . 0.0 111.022 169.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 p -68.04 -37.47 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -169.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.76 -26.16 63.23 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 178.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.85 -25.08 10.01 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 123.789 0.709 . . . . 0.0 114.692 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.463 HD22 HG23 ' B' ' 60' ' ' VAL . 9.6 t30 -62.26 120.51 59.16 Favored Pre-proline 0 CA--C 1.555 1.16 0 C-N-CA 124.878 1.271 . . . . 0.0 114.05 -172.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.74 -45.98 32.59 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 124.442 3.428 . . . . 0.0 115.389 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -62.83 -34.95 78.39 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.98 0.912 . . . . 0.0 112.949 -175.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.463 HG23 HD22 ' B' ' 57' ' ' ASN . 73.5 t -64.87 -45.1 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 C-N-CA 124.437 1.095 . . . . 0.0 110.332 171.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.54 -40.39 89.08 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 118.61 0.641 . . . . 0.0 112.253 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.2 99.39 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.396 1.078 . . . . 0.0 113.052 171.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -62.2 -37.59 85.9 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.619 -1.301 . . . . 0.0 112.38 169.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.71 -51.46 33.33 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.614 1.102 . . . . 0.0 113.016 166.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -57.64 -37.97 74.23 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 118.252 1.026 . . . . 0.0 113.225 173.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -69.82 -54.42 13.66 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.11 0.868 . . . . 0.0 113.087 176.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 4.2 m -60.75 -41.83 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 120.253 1.388 . . . . 0.0 111.85 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 tt -78.76 -33.53 46.38 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.483 -0.761 . . . . 0.0 111.646 -176.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.8 -41.27 90.75 Favored Glycine 0 CA--C 1.534 1.219 0 O-C-N 121.06 -1.025 . . . . 0.0 112.212 166.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.03 -41.22 95.47 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.208 1.004 . . . . 0.0 112.434 171.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.421 ' HZ ' HBB2 ' B' ' 201' ' ' HEC . 9.1 m-30 -58.71 -35.65 72.99 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.297 -1.502 . . . . 0.0 112.075 171.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -41.34 81.58 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.862 0.865 . . . . 0.0 113.08 172.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -57.23 -32.56 66.66 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.04 0.836 . . . . 0.0 111.702 170.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.16 -66.0 3.01 Favored Glycine 0 C--N 1.339 0.695 0 C-N-CA 123.746 0.688 . . . . 0.0 111.428 166.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.32 -32.82 39.74 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -178.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.89 -26.73 59.86 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.769 1.627 . . . . 0.0 115.155 176.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -144.67 45.91 1.38 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.324 1.45 . . . . 0.0 112.31 -169.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 93.9 mt -58.78 -23.37 60.07 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -178.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -63.45 -21.31 66.23 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.382 1.073 . . . . 0.0 113.659 173.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -92.63 -68.03 0.82 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.526 0.73 . . . . 0.0 111.914 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 48.94 -17.02 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 118.455 2.761 . . . . 0.0 118.455 -168.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -97.35 -66.1 0.92 Allowed 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.602 1.546 . . . . 0.0 110.036 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.81 -32.39 69.9 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.031 0.824 . . . . 0.0 114.992 -176.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -26.42 65.27 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.37 1.468 . . . . 0.0 113.98 174.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -116.09 -11.46 11.39 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -173.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.57 -40.67 52.83 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.827 1.418 . . . . 0.0 114.827 -172.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 19.9 p -66.78 -34.11 77.11 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.276 1.031 . . . . 0.0 112.949 173.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 41.4 mt -74.69 -38.43 62.37 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.245 1.018 . . . . 0.0 111.691 172.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.0 m -64.73 -37.37 87.37 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.981 1.264 . . . . 0.0 111.624 173.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.58 -55.65 28.53 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.932 1.293 . . . . 0.0 111.56 167.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 27.1 tp -52.91 -58.6 6.41 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.306 1.042 . . . . 0.0 111.36 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -78.25 41.04 0.37 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.254 1.422 . . . . 0.0 112.355 176.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . 0.607 ' SG ' HG21 ' C' ' 41' ' ' THR . 8.4 t -155.13 -74.61 0.11 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.503 1.121 . . . . 0.0 109.957 165.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -26.76 68.59 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.361 1.465 . . . . 0.0 114.158 -178.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.63 -35.43 9.12 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.997 0.919 . . . . 0.0 111.762 173.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mt -135.61 86.04 2.21 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.67 1.988 . . . . 0.0 109.065 -174.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -53.39 -28.81 31.49 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.733 1.213 . . . . 0.0 114.207 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 6.63 101.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 C-N-CA 129.721 3.208 . . . . 0.0 115.104 161.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -62.26 139.27 96.28 Favored Pre-proline 0 CA--C 1.548 0.892 0 O-C-N 120.625 -1.297 . . . . 0.0 113.458 -164.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . 0.428 ' HD3' ' CE2' ' B' ' 145' ' ' TYR . 31.0 Cg_endo -65.86 -15.88 50.7 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.69 2.927 . . . . 0.0 115.449 -169.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -49.15 -38.9 26.93 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.916 0.887 . . . . 0.0 112.027 163.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.05 -37.12 86.28 Favored 'General case' 0 CA--C 1.55 0.973 0 O-C-N 121.338 -0.851 . . . . 0.0 111.026 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -63.87 -47.68 79.73 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.636 1.107 . . . . 0.0 111.229 172.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -56.5 -50.01 73.04 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.734 0.813 . . . . 0.0 110.129 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 74.7 mt -58.83 -46.47 87.61 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.871 0.868 . . . . 0.0 112.073 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.25 -36.96 76.43 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.602 0.637 . . . . 0.0 111.835 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . 0.413 ' CA ' HG11 ' B' ' 134' ' ' VAL . . . -65.73 -51.92 42.8 Favored Glycine 0 N--CA 1.469 0.851 0 O-C-N 120.871 -1.143 . . . . 0.0 114.186 171.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -53.71 -27.66 29.37 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.733 0.813 . . . . 0.0 112.585 173.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 8.5 t -81.0 -47.61 20.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 124.524 1.13 . . . . 0.0 113.453 174.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.405 HD22 ' CD2' ' B' ' 71' ' ' PHE . 11.5 tp -48.61 -54.21 15.51 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.406 1.003 . . . . 0.0 110.217 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.655 HG12 ' HB3' ' B' ' 130' ' ' TYR . 5.6 m -58.36 -25.56 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -175.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . 0.475 ' HA ' HG23 ' A' ' 107' ' ' VAL . 78.8 m -77.7 -39.83 43.34 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.399 -0.813 . . . . 0.0 112.533 175.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 16.7 m -74.24 -28.99 23.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-N 119.617 1.098 . . . . 0.0 112.832 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.43 ' CD2' ' CZ ' ' B' ' 130' ' ' TYR . 8.4 mp -64.29 -46.03 85.43 Favored 'General case' 0 N--CA 1.463 0.181 0 O-C-N 121.322 -0.861 . . . . 0.0 110.645 170.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.17 72.92 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 171.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -60.21 -52.77 63.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.013 1.278 . . . . 0.0 111.445 171.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -69.52 -23.85 63.65 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -176.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -131.35 49.21 2.34 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.938 1.695 . . . . 0.0 110.908 -174.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.14 -21.65 66.22 Favored Glycine 0 N--CA 1.468 0.831 0 N-CA-C 115.754 1.062 . . . . 0.0 115.754 -169.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -81.36 -2.03 47.7 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.37 1.085 . . . . 0.0 112.434 173.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.52 3.76 3.91 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.567 1.947 . . . . 0.0 113.45 -173.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.32 30.14 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 129.489 3.116 . . . . 0.0 118.112 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 7.4 p -51.08 153.05 3.42 Favored Pre-proline 0 N--CA 1.482 1.146 0 C-N-CA 124.259 1.024 . . . . 0.0 113.52 -166.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -45.87 -49.09 11.51 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.603 2.202 . . . . 0.0 114.134 172.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.91 -26.23 22.4 Favored 'Trans proline' 0 C--N 1.354 0.854 0 CA-C-O 116.74 -1.442 . . . . 0.0 114.37 174.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 9.4 t -58.8 -52.99 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 CA-C-N 122.837 2.562 . . . . 0.0 111.458 173.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . 0.459 ' HG3' HG21 ' A' ' 107' ' ' VAL . 1.1 tm0? -62.45 -47.0 85.96 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.411 0.285 . . . . 0.0 110.533 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.01 -38.12 89.92 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.68 -50.29 65.45 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 124.113 0.965 . . . . 0.0 110.269 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.655 ' HB3' HG12 ' B' ' 111' ' ' VAL . 6.5 m-85 -51.89 -46.24 64.46 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.872 -0.517 . . . . 0.0 111.686 167.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -63.49 -35.36 80.2 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 117.776 -1.107 . . . . 0.0 113.881 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -67.39 -40.02 85.65 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 121.715 2.052 . . . . 0.0 113.124 173.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.8 -43.52 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 120.243 1.383 . . . . 0.0 111.754 171.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.413 HG11 ' CA ' ' B' ' 107' ' ' GLY . 25.6 t -73.42 -29.66 28.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 119.272 0.942 . . . . 0.0 113.097 -178.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.46 -45.42 90.94 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 120.555 1.525 . . . . 0.0 111.674 169.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -55.21 -45.25 83.25 Favored Glycine 0 N--CA 1.473 1.148 0 N-CA-C 111.976 -0.45 . . . . 0.0 111.976 169.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -44.33 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.203 1.001 . . . . 0.0 113.309 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.26 -44.57 96.23 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.474 -0.766 . . . . 0.0 110.551 177.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -63.92 -35.65 81.38 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.388 0.675 . . . . 0.0 112.349 174.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.64 -47.29 73.04 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.827 0.851 . . . . 0.0 111.842 175.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 13.7 mt -61.53 -37.75 84.91 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.221 0.919 . . . . 0.0 111.1 173.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.4 -6.74 20.46 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 171.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -59.6 -36.12 75.65 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 119.515 -1.991 . . . . 0.0 113.444 -176.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -67.7 -4.27 11.68 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 174.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' TYR . . . . . 0.428 ' CE2' ' HD3' ' B' ' 100' ' ' PRO . 2.2 m-85 -95.63 11.14 34.3 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.173 1.789 . . . . 0.0 111.8 178.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.258 1.517 0 C-N-CA 127.991 2.516 . . . . 0.0 115.145 174.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.507 2.414 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.468 HD13 HG22 ' C' ' 73' ' ' VAL . 5.0 mp -140.6 -171.09 3.15 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 119.963 -1.711 . . . . 0.0 110.809 172.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 7.7 p -112.78 141.58 25.68 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 126.059 1.744 . . . . 0.0 111.986 -176.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -52.51 -48.59 21.12 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 124.126 3.217 . . . . 0.0 116.084 -169.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.19 93.82 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 122.108 -0.37 . . . . 0.0 111.431 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.52 -40.07 96.08 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.83 0.452 . . . . 0.0 111.393 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -55.54 -50.21 70.61 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 118.808 0.731 . . . . 0.0 111.054 170.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 56.1 m -59.2 -44.59 92.23 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.825 0.85 . . . . 0.0 111.831 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -62.34 -41.73 98.82 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.634 -0.666 . . . . 0.0 111.918 176.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.31 -49.08 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.836 1.254 . . . . 0.0 111.452 173.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -58.45 -46.57 86.28 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 118.864 0.756 . . . . 0.0 111.547 175.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.95 -52.42 65.57 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.386 0.675 . . . . 0.0 111.564 177.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.95 -51.88 67.4 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.351 0.66 . . . . 0.0 111.986 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 6.0 t-105 -63.95 -28.14 69.62 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.72 -42.75 99.64 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.584 1.088 . . . . 0.0 113.413 169.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -70.15 -35.04 73.76 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 118.617 1.209 . . . . 0.0 111.303 174.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.47 -50.59 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.251 1.02 . . . . 0.0 111.514 175.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.62 -139.08 9.88 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.099 0.857 . . . . 0.0 114.296 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.06 -22.55 50.75 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -69.88 -6.55 33.46 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 174.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.57 -47.36 28.41 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.564 1.075 . . . . 0.0 113.282 176.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.28 -37.93 95.64 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 121.909 -0.494 . . . . 0.0 113.503 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -63.53 -46.47 85.85 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.154 0.982 . . . . 0.0 110.81 174.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 11.5 m-30 -68.31 -37.07 80.23 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.22 -51.48 58.59 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-N 118.723 0.692 . . . . 0.0 112.067 170.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.94 -50.42 68.91 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.53 0.732 . . . . 0.0 111.652 175.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -67.62 -35.8 79.61 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.24 83.68 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.122 0.874 . . . . 0.0 112.701 172.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 54.0 mt -64.1 -51.51 63.68 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.555 0.616 . . . . 0.0 111.63 173.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -57.24 -46.14 83.27 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 121.288 -0.882 . . . . 0.0 112.18 177.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.3 ttm105 -58.83 -47.39 84.99 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 124.97 1.308 . . . . 0.0 111.561 174.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 61.7 ttp -53.43 -46.46 69.81 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.601 1.091 . . . . 0.0 112.898 173.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -61.24 -17.75 54.91 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 174.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 34.4 mt -100.12 -46.5 5.3 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.341 1.057 . . . . 0.0 110.474 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 74.4 m -68.16 -29.29 68.13 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 126.956 2.102 . . . . 0.0 114.527 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -135.14 75.92 58.89 Favored Pre-proline 0 CA--C 1.541 0.635 0 C-N-CA 125.934 1.694 . . . . 0.0 109.844 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -46.57 -25.59 3.61 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 124.686 3.591 . . . . 0.0 115.467 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . 0.59 ' O ' HG22 ' C' ' 41' ' ' THR . 3.9 m -46.15 -38.83 8.71 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.798 1.639 . . . . 0.0 114.537 170.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 81.8 p -65.02 -31.49 72.75 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 119.847 -1.783 . . . . 0.0 112.359 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -58.71 -34.39 71.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.03 1.332 . . . . 0.0 112.212 173.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . 0.607 HG21 ' SG ' ' B' ' 93' ' ' CYS . 0.6 OUTLIER -66.17 -18.92 65.65 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 179.213 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' TYR . . . . . 0.592 ' CE2' HG22 ' C' ' 93' ' ' VAL . 0.1 OUTLIER -67.4 -9.52 42.36 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 121.196 -0.94 . . . . 0.0 113.282 175.699 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 46.69 64.32 8.53 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 124.892 1.277 . . . . 0.0 112.368 -168.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -47.79 145.1 10.24 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 123.924 3.083 . . . . 0.0 114.831 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.48 4.37 4.91 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -175.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.91 -175.93 3.94 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.789 1.636 . . . . 0.0 113.458 -167.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -122.71 142.94 50.15 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.733 1.213 . . . . 0.0 111.145 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -145.61 31.27 1.08 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.887 1.275 . . . . 0.0 113.091 -165.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 2.6 t -73.88 38.45 0.1 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.61 1.964 . . . . 0.0 114.192 -176.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 11.2 m170 63.09 147.3 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 129.085 2.954 . . . . 0.0 114.366 -170.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.62 17.67 49.52 Favored Glycine 0 CA--C 1.542 1.77 0 C-N-CA 124.593 1.092 . . . . 0.0 115.572 -176.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -62.15 133.01 54.66 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.8 1.24 . . . . 0.0 113.623 -171.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.23 67.98 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.159 1.384 . . . . 0.0 113.147 171.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -83.3 -40.73 19.14 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.383 0.673 . . . . 0.0 111.446 177.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.79 -41.64 88.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 O-C-N 121.471 -0.768 . . . . 0.0 111.995 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -61.98 -39.06 90.87 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 119.756 1.162 . . . . 0.0 112.684 175.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.62 -53.38 28.39 Favored Glycine 0 N--CA 1.469 0.878 0 C-N-CA 124.06 0.838 . . . . 0.0 112.018 176.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -56.28 -44.56 79.91 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.905 -0.762 . . . . 0.0 111.699 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.54 -48.79 63.59 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.422 1.01 . . . . 0.0 113.932 172.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -56.16 -42.84 77.67 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 118.597 1.199 . . . . 0.0 112.903 171.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.65 -41.88 68.22 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.1 0.864 . . . . 0.0 111.086 -178.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 63.6 t -55.75 -48.73 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.594 1.158 . . . . 0.0 110.422 169.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.33 -47.29 86.6 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -63.81 -38.95 92.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.045 0.839 . . . . 0.0 112.298 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.36 -36.97 81.7 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.271 -0.893 . . . . 0.0 112.609 169.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -42.79 94.23 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.324 -0.86 . . . . 0.0 111.622 170.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 90.9 m -57.47 -44.38 84.79 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.917 1.235 . . . . 0.0 111.886 171.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -58.59 -47.5 84.11 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.108 0.867 . . . . 0.0 110.996 171.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.19 -32.21 70.87 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 174.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 77.1 t -71.74 -49.02 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 120.19 1.359 . . . . 0.0 110.628 171.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.21 -28.02 67.65 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.364 1.466 . . . . 0.0 113.561 -177.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -124.02 28.06 6.95 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.449 1.5 . . . . 0.0 112.053 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.468 HG22 HD13 ' C' ' 2' ' ' LEU . 14.4 p -50.26 -37.44 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -171.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -103.25 9.55 38.08 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -142.16 33.9 1.53 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.97 2.108 . . . . 0.0 111.068 -171.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -116.55 55.76 1.41 Allowed Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 125.545 1.538 . . . . 0.0 113.204 -177.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -64.93 -37.42 34.13 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 122.009 1.806 . . . . 0.0 112.34 178.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -142.72 19.28 2.0 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.496 1.518 . . . . 0.0 113.13 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.89 -10.23 36.57 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 120.097 -1.627 . . . . 0.0 114.595 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 30.8 mt -113.38 17.56 18.39 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.088 1.755 . . . . 0.0 111.498 171.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 41.1 t -56.67 -38.96 72.92 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.71 1.204 . . . . 0.0 112.749 -176.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.22 -28.62 59.06 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 173.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 10.6 mt -84.06 -42.02 16.56 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.069 0.948 . . . . 0.0 111.288 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 33.6 t -54.94 -42.48 72.36 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.572 0.349 . . . . 0.0 110.945 166.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -63.08 -45.79 90.45 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.067 1.347 . . . . 0.0 112.355 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -44.84 70.51 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.901 0.773 . . . . 0.0 111.405 173.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -67.55 -63.27 1.09 Allowed 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.609 -0.682 . . . . 0.0 110.909 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.08 -30.86 71.93 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -169.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -103.17 2.3 34.32 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.153 0.981 . . . . 0.0 113.049 -171.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -149.74 -32.61 0.2 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -174.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 97.2 mt -125.01 -117.71 0.28 Allowed 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 116.401 -1.761 . . . . 0.0 107.782 168.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . 0.25 0.0 OUTLIER 155.55 47.82 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.313 0 C-N-CA 130.523 3.529 . . . . 0.0 113.175 164.037 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . 0.592 HG22 ' CE2' ' C' ' 42' ' ' TYR . 23.6 t -68.42 140.11 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 O-C-N 120.657 -1.277 . . . . 0.0 112.722 -169.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.7 142.98 51.67 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 126.416 1.887 . . . . 0.0 113.619 175.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -59.48 -22.32 65.74 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 123.026 2.484 . . . . 0.0 113.232 165.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 37.7 t -52.34 -46.47 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 120.675 -1.266 . . . . 0.0 110.722 167.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -61.1 -41.07 95.99 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 118.847 0.749 . . . . 0.0 112.238 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 3.4 t80 -53.91 -46.84 71.56 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.492 -0.755 . . . . 0.0 111.275 172.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -56.53 -34.83 67.41 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 118.828 0.74 . . . . 0.0 111.944 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.79 -52.24 61.15 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.094 0.958 . . . . 0.0 110.868 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -40.89 91.49 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.292 1.037 . . . . 0.0 112.148 174.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 11.0 t -54.57 -52.34 62.4 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.766 1.226 . . . . 0.0 112.129 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -58.32 -42.43 86.75 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 120.997 -1.064 . . . . 0.0 111.237 173.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 92.0 m -69.29 -10.56 58.39 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 174.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 14.4 mt -91.42 -47.43 7.45 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.156 1.782 . . . . 0.0 111.852 168.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 53.8 mt -51.22 -46.99 62.43 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.645 1.178 . . . . 0.0 111.107 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . 0.473 HG23 ' HA ' ' D' ' 112' ' ' CYS . 7.2 p -52.44 -45.04 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 170.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -64.13 -43.17 96.09 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.295 0.638 . . . . 0.0 110.893 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.26 -46.0 88.87 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.46 -31.95 64.48 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.54 -17.3 61.74 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.594 1.701 . . . . 0.0 115.594 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -118.96 -30.42 5.03 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -174.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.6 mp -78.38 175.85 4.24 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 124.582 1.153 . . . . 0.0 110.939 172.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.56 -154.53 0.0 OUTLIER 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 124.722 3.615 . . . . 0.0 113.221 156.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.24 57.84 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.747 1.619 . . . . 0.0 114.502 174.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -42.46 -27.67 0.17 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 127.88 2.472 . . . . 0.0 114.105 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -69.85 7.14 0.97 Allowed 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.07 160.45 3.13 Favored Pre-proline 0 N--CA 1.489 1.499 0 CA-C-N 121.387 1.903 . . . . 0.0 112.512 175.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -54.28 -50.27 14.09 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.069 1.846 . . . . 0.0 112.627 169.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.54 -54.55 41.62 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.623 0.369 . . . . 0.0 110.616 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.26 -40.4 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 O-C-N 121.056 -1.027 . . . . 0.0 111.932 -172.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -74.95 -47.28 30.31 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 120.202 1.364 . . . . 0.0 112.761 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.76 -47.33 85.06 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 120.081 1.309 . . . . 0.0 110.604 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 99.7 p -60.73 -48.12 83.2 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 117.406 -1.283 . . . . 0.0 113.456 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 78.3 mt -67.38 -43.93 80.18 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 120.642 1.564 . . . . 0.0 111.778 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -59.54 -51.19 70.93 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.59 1.086 . . . . 0.0 112.058 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -29.46 64.77 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -63.23 -53.52 51.82 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 117.595 -1.193 . . . . 0.0 110.668 170.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.89 -40.1 83.43 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.467 1.031 . . . . 0.0 110.782 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.05 -42.91 73.31 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 120.137 -1.602 . . . . 0.0 113.143 169.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 17.3 t -64.24 -43.11 95.93 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 120.908 -1.12 . . . . 0.0 113.116 172.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 50.6 t -55.68 -43.55 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 O-C-N 121.289 -0.882 . . . . 0.0 110.158 171.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 4.4 t -57.28 -52.33 65.75 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.711 1.204 . . . . 0.0 112.746 172.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 59.4 m -51.83 -46.19 64.25 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.883 0.873 . . . . 0.0 111.562 175.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 61.5 t -69.41 -41.2 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 O-C-N 121.526 -0.734 . . . . 0.0 112.081 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -15.34 21.83 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.447 1.099 . . . . 0.0 113.757 168.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 20.4 m -101.44 -11.54 19.27 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.737 1.615 . . . . 0.0 111.734 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 7.8 t -64.47 151.44 44.29 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.854 1.262 . . . . 0.0 113.2 -177.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -144.24 179.61 7.12 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.163 1.785 . . . . 0.0 111.792 -170.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -52.21 141.41 18.98 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.666 0.786 . . . . 0.0 112.439 169.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 . . . . . 0 C--O 1.255 1.351 0 C-N-CA 125.126 1.371 . . . . 0.0 113.91 173.169 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.335 3.4 p . . . . . 0 N--CA 1.515 2.808 0 CA-C-O 117.032 -1.461 . . . . 0.0 113.287 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 34.5 p-80 26.93 62.12 0.09 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 127.566 2.347 . . . . 0.0 115.811 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.19 147.04 36.83 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 120.919 -1.113 . . . . 0.0 109.751 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.61 157.98 62.46 Favored Pre-proline 0 N--CA 1.481 1.122 0 CA-C-O 118.679 -0.677 . . . . 0.0 109.949 171.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -52.85 -36.95 76.27 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.488 2.125 . . . . 0.0 114.788 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -75.97 -37.89 58.09 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.118 0.872 . . . . 0.0 112.012 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -63.15 -49.37 74.63 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.614 -0.679 . . . . 0.0 111.187 171.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -54.44 -49.27 70.4 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.183 1.393 . . . . 0.0 110.973 174.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 28.7 t -54.01 -47.16 71.78 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.855 0.752 . . . . 0.0 111.182 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.69 74.29 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 3.0 p -64.1 -52.86 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.275 0 CA-C-N 120.191 1.359 . . . . 0.0 111.625 176.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -73.98 -31.2 62.88 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.133 -0.979 . . . . 0.0 112.996 -171.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.64 -37.06 81.9 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 120.524 1.511 . . . . 0.0 112.019 172.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -40.07 94.05 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.625 -0.672 . . . . 0.0 110.824 169.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -54.53 -45.86 73.46 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.019 0.827 . . . . 0.0 111.522 170.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.21 -26.88 56.93 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.825 1.679 . . . . 0.0 115.461 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -101.53 -13.09 18.03 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.781 1.291 . . . . 0.0 113.524 172.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.48 137.52 21.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.611 1.164 . . . . 0.0 112.07 -173.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -87.43 82.19 7.6 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.75 0.82 . . . . 0.0 108.83 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 62.0 t -53.01 -39.41 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 C-N-CA 124.114 0.966 . . . . 0.0 113.366 -170.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -76.28 -6.07 49.83 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -122.29 -51.74 1.97 Allowed 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.326 -1.484 . . . . 0.0 110.842 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -29.49 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 119.438 1.017 . . . . 0.0 112.506 170.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.79 -42.36 46.43 Favored Glycine 0 N--CA 1.472 1.056 0 O-C-N 121.004 -1.06 . . . . 0.0 112.055 173.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.83 -41.17 99.6 Favored Glycine 0 N--CA 1.472 1.045 0 CA-C-N 117.959 0.879 . . . . 0.0 112.51 171.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -64.11 -39.63 94.47 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.978 1.311 . . . . 0.0 111.854 171.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.25 -53.98 44.56 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 120.191 1.36 . . . . 0.0 110.469 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 mp -61.8 -42.4 98.96 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.107 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -52.6 -63.07 5.25 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 119.585 1.084 . . . . 0.0 112.517 171.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 16.7 ttt-85 -47.94 -36.57 12.66 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.987 1.715 . . . . 0.0 113.515 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 tp -69.75 -62.24 1.46 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.651 1.18 . . . . 0.0 110.453 169.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mt -65.1 -12.99 56.82 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.532 1.133 . . . . 0.0 113.599 -170.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' VAL . . . . . 0.409 ' C ' ' H ' ' D' ' 35' ' ' TYR . 17.7 m -98.62 -4.14 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 176.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.86 8.33 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 CA-C-N 122.589 2.45 . . . . 0.0 112.601 168.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' TYR . . . . . 0.409 ' H ' ' C ' ' D' ' 33' ' ' VAL . 3.7 t80 44.65 41.99 0.85 Allowed Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 126.614 1.966 . . . . 0.0 113.727 -158.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -75.8 175.26 11.53 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.84 1.694 . . . . 0.0 110.501 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -55.65 -22.48 23.09 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 166.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -21.8 66.13 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 119.413 -2.054 . . . . 0.0 113.511 178.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -56.3 -23.27 35.73 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 171.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -55.03 -23.03 17.71 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 115.405 1.632 . . . . 0.0 115.405 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.74 5.64 45.09 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 175.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.81 -26.06 9.01 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.081 -1.637 . . . . 0.0 115.329 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.19 -34.5 68.55 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 173.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 78.2 p -90.26 -5.27 56.52 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.707 1.139 . . . . 0.0 112.996 172.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -107.12 -2.58 20.81 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.924 1.29 . . . . 0.0 113.526 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.34 -123.7 30.09 Favored Glycine 0 CA--C 1.536 1.391 0 CA-C-N 121.049 1.749 . . . . 0.0 113.045 175.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.51 111.99 2.28 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.537 0.735 . . . . 0.0 111.351 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 tt -146.33 -24.56 0.43 Allowed 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 24.7 p -60.65 -4.29 0.9 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 116.612 2.078 . . . . 0.0 116.612 -171.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 50' ' ' THR . . . . . 0.42 ' HB ' ' HD2' ' D' ' 51' ' ' PRO . 6.5 p -143.02 163.67 36.48 Favored Pre-proline 0 N--CA 1.475 0.792 0 C-N-CA 126.646 1.978 . . . . 0.0 109.766 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 51' ' ' PRO . . . . . 0.42 ' HD2' ' HB ' ' D' ' 50' ' ' THR . 4.5 Cg_endo -57.86 -53.42 4.44 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 122.032 1.822 . . . . 0.0 112.267 175.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -62.95 -27.91 69.72 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.648 1.179 . . . . 0.0 113.187 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.09 -64.4 0.87 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.635 0.652 . . . . 0.0 111.053 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 p -67.88 -37.49 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -169.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.89 -26.06 63.07 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.85 -25.02 10.05 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 123.726 0.679 . . . . 0.0 114.789 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 57' ' ' ASN . . . . . 0.464 HD22 HG23 ' D' ' 60' ' ' VAL . 9.5 t30 -62.16 120.52 58.87 Favored Pre-proline 0 CA--C 1.555 1.153 0 C-N-CA 124.888 1.275 . . . . 0.0 114.057 -172.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -50.7 -45.87 33.04 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 124.389 3.392 . . . . 0.0 115.531 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -62.99 -34.84 78.38 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.023 0.929 . . . . 0.0 112.899 -175.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 60' ' ' VAL . . . . . 0.464 HG23 HD22 ' D' ' 57' ' ' ASN . 74.4 t -65.04 -45.04 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 124.422 1.089 . . . . 0.0 110.282 171.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -40.55 89.21 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 118.463 0.574 . . . . 0.0 112.292 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.29 99.17 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.43 1.092 . . . . 0.0 113.11 171.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -62.41 -37.56 86.27 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.661 -1.274 . . . . 0.0 112.278 169.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.7 -51.38 33.57 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.476 1.036 . . . . 0.0 113.059 166.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -57.52 -38.19 74.26 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 118.174 0.987 . . . . 0.0 113.246 173.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -69.8 -54.45 13.58 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 118.049 -0.977 . . . . 0.0 112.995 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 m -60.51 -41.92 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 120.416 1.462 . . . . 0.0 112.119 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 3.8 tt -78.77 -33.59 46.28 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.248 -0.908 . . . . 0.0 111.461 -176.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.59 -41.33 89.17 Favored Glycine 0 CA--C 1.535 1.293 0 O-C-N 121.362 -0.836 . . . . 0.0 112.34 166.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.21 95.72 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 117.877 0.838 . . . . 0.0 112.543 170.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . 0.431 ' HZ ' HBB2 ' D' ' 201' ' ' HEC . 9.0 m-30 -58.82 -35.44 72.89 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 120.41 -1.432 . . . . 0.0 112.111 171.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -41.29 81.23 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.85 0.86 . . . . 0.0 113.065 172.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -57.24 -32.61 66.73 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.968 0.804 . . . . 0.0 111.641 170.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.11 -65.93 3.06 Favored Glycine 0 C--N 1.339 0.739 0 C-N-CA 123.643 0.64 . . . . 0.0 111.622 166.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.1 mt -52.5 -32.68 41.35 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.91 -26.66 59.8 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.735 1.614 . . . . 0.0 115.103 176.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -144.67 45.84 1.38 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.326 1.45 . . . . 0.0 112.351 -169.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 93.8 mt -58.78 -23.48 60.25 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -63.37 -21.27 66.18 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.344 1.058 . . . . 0.0 113.704 173.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -92.67 -68.04 0.82 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.47 0.708 . . . . 0.0 111.939 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 49.01 -17.07 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 118.488 2.773 . . . . 0.0 118.488 -168.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -97.43 -65.91 0.93 Allowed 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 120.587 1.54 . . . . 0.0 110.091 172.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.89 -32.48 70.43 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.001 0.81 . . . . 0.0 114.896 -176.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.67 -26.58 65.38 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.312 1.445 . . . . 0.0 114.077 174.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -115.78 -11.68 11.57 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -173.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.36 -40.73 50.15 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -171.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 20.3 p -66.72 -33.99 76.87 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.35 1.06 . . . . 0.0 113.014 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 41.3 mt -74.84 -38.54 61.97 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 124.157 0.983 . . . . 0.0 111.737 172.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 2.8 m -64.54 -37.53 87.89 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.852 1.206 . . . . 0.0 111.708 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -55.75 28.4 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.92 1.288 . . . . 0.0 111.535 167.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 26.9 tp -52.94 -58.68 6.12 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.256 1.023 . . . . 0.0 111.301 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -78.05 40.91 0.35 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.195 1.398 . . . . 0.0 112.541 176.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 93' ' ' CYS . . . . . 0.596 ' SG ' HG21 ' A' ' 41' ' ' THR . 8.4 t -155.08 -74.71 0.11 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.489 1.116 . . . . 0.0 109.888 165.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -26.87 68.57 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.432 1.493 . . . . 0.0 114.101 -177.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.81 -35.27 9.1 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.885 0.874 . . . . 0.0 111.666 173.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mt -135.73 85.95 2.2 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.803 2.041 . . . . 0.0 109.107 -174.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -53.41 -28.79 31.7 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 6.61 101.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 129.69 3.196 . . . . 0.0 115.229 161.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.15 139.25 96.09 Favored Pre-proline 0 CA--C 1.55 0.958 0 O-C-N 120.561 -1.337 . . . . 0.0 113.636 -164.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 100' ' ' PRO . . . . . 0.422 ' HD3' ' CE2' ' D' ' 145' ' ' TYR . 31.1 Cg_endo -65.76 -16.01 51.49 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.586 2.858 . . . . 0.0 115.359 -168.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -49.39 -38.57 29.27 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.166 -0.959 . . . . 0.0 111.924 163.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.29 -36.99 85.9 Favored 'General case' 0 CA--C 1.553 1.07 0 O-C-N 121.298 -0.876 . . . . 0.0 110.88 177.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -64.0 -47.76 79.05 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.624 1.102 . . . . 0.0 111.301 172.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -56.53 -50.31 72.23 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.707 0.803 . . . . 0.0 110.443 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 74.7 mt -57.79 -47.0 83.8 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.16 0.984 . . . . 0.0 112.337 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.16 -36.79 75.91 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.722 0.692 . . . . 0.0 111.82 176.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 107' ' ' GLY . . . . . 0.423 ' CA ' HG11 ' D' ' 134' ' ' VAL . . . -66.02 -51.85 41.89 Favored Glycine 0 N--CA 1.469 0.838 0 O-C-N 121.136 -0.977 . . . . 0.0 114.159 171.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -53.26 -27.94 25.12 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.867 0.867 . . . . 0.0 112.767 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 7.7 t -81.12 -47.76 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 124.524 1.13 . . . . 0.0 113.377 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . 0.408 HD22 ' CD2' ' D' ' 71' ' ' PHE . 12.1 tp -48.39 -53.51 17.38 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.528 1.058 . . . . 0.0 110.434 177.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 111' ' ' VAL . . . . . 0.655 HG12 ' HB3' ' D' ' 130' ' ' TYR . 5.2 m -59.19 -25.3 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -174.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 112' ' ' CYS . . . . . 0.473 ' HA ' HG23 ' C' ' 107' ' ' VAL . 79.5 m -77.63 -40.15 42.84 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.405 -0.809 . . . . 0.0 112.796 174.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 17.0 m -73.85 -28.93 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 119.698 1.135 . . . . 0.0 113.039 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 114' ' ' LEU . . . . . 0.437 ' CD2' ' CZ ' ' D' ' 130' ' ' TYR . 8.4 mp -64.27 -46.23 84.58 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 119.142 0.883 . . . . 0.0 110.398 170.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.06 -34.27 73.2 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.248 0.832 . . . . 0.0 113.248 172.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -60.12 -53.07 62.15 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.912 1.233 . . . . 0.0 111.425 171.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -69.2 -23.67 63.94 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -176.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -131.4 49.21 2.34 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.095 1.758 . . . . 0.0 110.997 -174.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.2 -21.65 66.36 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 115.761 1.064 . . . . 0.0 115.761 -169.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -81.48 -1.85 47.51 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.314 1.057 . . . . 0.0 112.378 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.45 3.71 3.92 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.612 1.965 . . . . 0.0 113.491 -173.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.21 30.1 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 129.389 3.076 . . . . 0.0 118.299 -178.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 7.5 p -51.04 153.11 3.32 Favored Pre-proline 0 N--CA 1.479 0.989 0 C-N-CA 124.398 1.079 . . . . 0.0 113.446 -166.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -46.08 -48.99 11.96 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 122.647 2.231 . . . . 0.0 114.1 172.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.95 -26.17 22.29 Favored 'Trans proline' 0 C--N 1.356 0.93 0 CA-C-O 116.757 -1.435 . . . . 0.0 114.465 174.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 9.9 t -58.91 -52.95 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 CA-C-N 122.822 2.555 . . . . 0.0 111.442 172.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 127' ' ' GLN . . . . . 0.47 ' HG3' HG21 ' C' ' 107' ' ' VAL . 1.1 tm0? -62.35 -47.05 85.91 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.481 0.312 . . . . 0.0 110.534 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.24 -37.88 89.07 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.83 -50.16 65.62 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.236 1.014 . . . . 0.0 110.323 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 130' ' ' TYR . . . . . 0.655 ' HB3' HG12 ' D' ' 111' ' ' VAL . 6.4 m-85 -51.96 -46.2 64.7 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.236 0.471 . . . . 0.0 111.763 167.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -63.51 -35.62 81.05 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 117.748 -1.12 . . . . 0.0 113.817 177.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -67.22 -40.23 86.36 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 121.701 2.046 . . . . 0.0 113.165 173.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 4.5 p -67.38 -43.93 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 CA-C-N 120.281 1.401 . . . . 0.0 111.745 171.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 134' ' ' VAL . . . . . 0.423 HG11 ' CA ' ' D' ' 107' ' ' GLY . 26.2 t -73.41 -29.82 28.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 119.29 0.95 . . . . 0.0 112.946 -177.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.3 -45.53 90.92 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 120.746 1.612 . . . . 0.0 111.687 169.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -54.96 -45.33 81.49 Favored Glycine 0 N--CA 1.473 1.109 0 O-C-N 121.979 -0.451 . . . . 0.0 112.202 168.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.59 -44.28 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.276 1.03 . . . . 0.0 113.284 176.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.24 -44.48 96.46 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.327 -0.858 . . . . 0.0 110.554 177.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -64.18 -35.78 81.9 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.407 0.683 . . . . 0.0 112.255 174.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.65 -47.45 72.47 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.678 0.791 . . . . 0.0 112.171 175.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 13.6 mt -60.73 -38.23 84.4 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.581 1.082 . . . . 0.0 111.12 172.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.72 -6.34 20.43 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 114.884 1.438 . . . . 0.0 114.884 172.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -59.49 -36.2 75.58 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 119.518 -1.989 . . . . 0.0 113.491 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -67.68 -4.18 11.35 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 174.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 145' ' ' TYR . . . . . 0.422 ' CE2' ' HD3' ' D' ' 100' ' ' PRO . 2.2 m-85 -95.61 11.03 34.64 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.334 1.854 . . . . 0.0 111.798 178.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.257 1.492 0 C-N-CA 127.924 2.49 . . . . 0.0 115.269 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.619 HBB2 HMB1 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 201' ' ' HEC . . . . . 0.421 HBB2 ' HZ ' ' B' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 201' ' ' HEC . . . . . 0.609 HBB2 HMB1 ' C' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 201' ' ' HEC . . . . . 0.431 HBB2 ' HZ ' ' D' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.511 2.607 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -137.72 -177.19 4.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 119.522 -1.986 . . . . 0.0 113.03 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.04 -163.33 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.197 0 C-N-CA 126.267 1.827 . . . . 0.0 112.02 176.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -102.82 -38.79 0.02 OUTLIER 'Trans proline' 0 CA--C 1.546 1.116 0 C-N-CA 123.088 2.525 . . . . 0.0 115.074 169.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.68 -32.17 71.79 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 120.613 -1.305 . . . . 0.0 112.774 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -59.27 -48.64 80.86 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 125.006 1.322 . . . . 0.0 112.698 166.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -55.57 -49.08 73.67 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.035 0.834 . . . . 0.0 109.969 174.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.6 m -55.56 -50.23 70.6 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.648 0.779 . . . . 0.0 112.327 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -61.39 -39.77 91.91 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 118.592 0.633 . . . . 0.0 112.258 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.5 t -65.18 -44.19 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 123.954 0.901 . . . . 0.0 111.439 175.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -61.66 -46.16 90.93 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.551 1.068 . . . . 0.0 111.27 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.71 -52.8 63.93 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.392 0.677 . . . . 0.0 111.209 175.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.42 -51.53 69.04 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.523 1.129 . . . . 0.0 111.879 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -66.26 -27.46 67.96 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.329 -0.857 . . . . 0.0 113.095 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.77 -41.63 94.05 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.215 0.912 . . . . 0.0 112.986 167.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -69.43 -35.2 75.47 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 118.306 1.053 . . . . 0.0 111.847 171.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.426 HG12 ' HB2' ' A' ' 21' ' ' ALA . 86.3 t -65.69 -27.05 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 125.054 1.342 . . . . 0.0 113.765 177.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -35.87 123.06 0.69 Allowed Glycine 0 CA--C 1.541 1.715 0 C-N-CA 125.159 1.361 . . . . 0.0 114.394 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 78.85 -39.24 0.23 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 129.19 2.996 . . . . 0.0 114.539 -173.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -75.33 -17.42 60.26 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.341 1.056 . . . . 0.0 113.607 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -38.67 -54.35 1.56 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 127.144 2.177 . . . . 0.0 114.552 -178.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.36 -32.49 65.04 Favored Glycine 0 N--CA 1.467 0.705 0 O-C-N 121.641 -0.662 . . . . 0.0 114.149 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -59.27 -45.89 90.0 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.896 0.878 . . . . 0.0 109.531 170.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.511 ' HA ' HG21 ' A' ' 108' ' ' THR . 13.1 m-30 -65.99 -39.89 90.72 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.63 -47.0 93.33 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 123.308 0.48 . . . . 0.0 112.648 171.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.5 -45.73 90.85 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 117.979 0.889 . . . . 0.0 112.12 176.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -41.2 97.91 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 123.231 0.613 . . . . 0.0 112.301 174.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.21 -45.92 89.44 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.34 0.518 . . . . 0.0 112.048 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.3 mt -56.12 -54.41 45.43 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.063 0.945 . . . . 0.0 111.046 175.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -58.14 -41.0 82.78 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 122.838 0.455 . . . . 0.0 111.86 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.4 ttm105 -61.34 -35.3 77.03 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 117.222 -1.37 . . . . 0.0 113.031 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.3 mtm -61.24 -45.91 92.58 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.58 1.536 . . . . 0.0 111.56 171.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -66.43 -15.76 63.58 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -111.34 -22.76 11.17 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.845 1.258 . . . . 0.0 113.248 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 82.1 p -80.08 -36.28 35.75 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.027 1.285 . . . . 0.0 113.59 171.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -130.77 80.45 69.74 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 127.614 2.366 . . . . 0.0 109.219 -175.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.38 -17.09 3.84 Favored 'Trans proline' 0 CA--C 1.545 1.045 0 C-N-CA 123.784 2.989 . . . . 0.0 115.695 175.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.5 p -54.9 -30.26 57.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.254 1.422 . . . . 0.0 114.178 165.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.454 HG22 ' ND2' ' A' ' 97' ' ' ASN . 13.5 p -63.88 -39.31 93.88 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 120.853 1.661 . . . . 0.0 111.43 174.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -56.2 -37.7 70.0 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.724 1.61 . . . . 0.0 112.671 -176.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.19 -24.55 66.41 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 177.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -67.84 -12.44 60.63 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.229 -0.92 . . . . 0.0 112.525 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 32.5 57.54 1.33 Allowed Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 127.232 2.213 . . . . 0.0 112.892 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -77.8 64.0 8.13 Favored 'Trans proline' 0 CA--C 1.545 1.034 0 C-N-CA 124.217 3.278 . . . . 0.0 112.575 -162.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.291 3.4 p-80 49.45 20.55 0.48 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 128.737 2.815 . . . . 0.0 116.036 -168.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -111.74 149.2 32.01 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.163 1.385 . . . . 0.0 112.151 -173.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.27 -18.58 6.77 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.079 1.752 . . . . 0.0 113.402 -173.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt 51.71 38.25 22.37 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.704 1.601 . . . . 0.0 113.745 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.8 p -67.44 22.48 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 128.169 2.588 . . . . 0.0 116.898 -172.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.0 m80 73.36 114.23 0.06 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 128.646 2.778 . . . . 0.0 112.912 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.85 25.8 70.83 Favored Glycine 0 CA--C 1.539 1.552 0 O-C-N 121.512 -0.743 . . . . 0.0 113.978 -174.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.4 p -64.98 142.09 58.56 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.242 1.017 . . . . 0.0 113.412 -169.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.83 -33.27 75.31 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.546 -0.721 . . . . 0.0 112.718 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.48 -40.86 98.23 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.15 -44.42 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 119.864 1.211 . . . . 0.0 111.351 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -44.59 95.81 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.693 0.678 . . . . 0.0 112.068 174.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.22 -51.55 58.15 Favored Glycine 0 N--CA 1.471 1.012 0 C-N-CA 123.933 0.777 . . . . 0.0 112.366 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -58.63 -41.62 86.39 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.861 -0.788 . . . . 0.0 111.757 173.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.6 -49.85 44.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 121.537 -0.727 . . . . 0.0 113.222 170.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.1 -44.45 87.64 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 118.292 1.046 . . . . 0.0 112.256 173.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.471 ' HB3' HMA3 ' A' ' 201' ' ' HEC . 10.5 mmpt? -59.4 -54.28 48.52 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.591 1.087 . . . . 0.0 111.941 174.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.2 t -53.79 -41.86 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.983 0.913 . . . . 0.0 110.943 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -65.91 -45.45 81.89 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 176.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -61.69 -35.69 78.73 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.057 1.299 . . . . 0.0 112.295 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.07 -43.72 98.23 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.435 -0.79 . . . . 0.0 112.405 169.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.97 -43.2 86.33 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.304 170.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.4 m -59.15 -45.56 90.66 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 119.866 1.212 . . . . 0.0 111.86 173.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -34.34 78.17 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.625 1.102 . . . . 0.0 111.802 177.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.64 79.88 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.461 -0.781 . . . . 0.0 111.05 169.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.8 t -56.89 -45.46 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 120.122 1.328 . . . . 0.0 111.449 174.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.6 -25.37 67.3 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -141.08 31.51 1.77 Allowed 'General case' 0 C--O 1.219 -0.533 0 C-N-CA 124.196 0.999 . . . . 0.0 112.823 -167.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.2 p -60.99 -16.38 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 119.374 -2.079 . . . . 0.0 115.956 -162.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -102.04 -0.42 33.6 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 172.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -130.61 -0.69 4.37 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 128.371 2.668 . . . . 0.0 113.322 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -60.86 -15.92 0.32 Allowed Pre-proline 0 CA--C 1.543 0.686 0 N-CA-C 117.352 2.353 . . . . 0.0 117.352 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -47.17 -30.21 10.24 Favored 'Trans proline' 0 C--N 1.358 1.035 0 CA-C-N 123.788 2.389 . . . . 0.0 115.657 163.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.8 -40.3 16.17 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.198 0.908 . . . . 0.0 113.171 170.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.53 -24.85 61.19 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -175.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 79.3 mt -97.53 2.81 50.56 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.966 1.307 . . . . 0.0 112.569 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.1 m -53.82 -41.02 66.88 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 120.172 1.351 . . . . 0.0 113.871 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.64 -15.7 31.08 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 176.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mt -109.26 -31.3 7.62 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.385 1.874 . . . . 0.0 111.082 -172.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.7 m -56.21 -42.39 77.16 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 119.155 -0.45 . . . . 0.0 110.387 153.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -61.96 -32.31 72.73 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.532 1.06 . . . . 0.0 112.902 172.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.0 -66.09 0.56 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 120.065 1.302 . . . . 0.0 108.762 162.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -61.3 -10.09 6.4 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 -173.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.52 -11.8 7.79 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.677 1.591 . . . . 0.0 114.729 -177.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -134.69 -1.4 2.77 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 120.047 1.294 . . . . 0.0 114.429 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.84 98.77 2.22 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.886 1.274 . . . . 0.0 112.069 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.5 mt 69.78 81.25 0.17 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.442 1.497 . . . . 0.0 111.003 -175.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -63.73 -6.12 5.15 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 116.072 1.878 . . . . 0.0 116.072 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 24.3 t -1.31 114.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 129.904 3.282 . . . . 0.0 115.25 174.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -34.82 123.99 0.55 Allowed Pre-proline 0 CA--C 1.556 1.192 0 C-N-CA 125.125 1.37 . . . . 0.0 112.635 171.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -42.85 -13.12 0.04 OUTLIER 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 124.929 3.753 . . . . 0.0 117.017 168.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.5 p -42.36 -40.73 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 121.223 1.829 . . . . 0.0 112.681 161.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.454 ' ND2' HG22 ' A' ' 39' ' ' THR . 26.9 m120 -73.6 -25.42 60.32 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 117.652 -1.166 . . . . 0.0 113.028 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -57.91 -52.69 64.46 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 120.063 1.301 . . . . 0.0 108.885 166.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -55.89 -38.07 69.7 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.004 0.922 . . . . 0.0 111.612 -176.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 77.2 mt -69.58 -48.0 61.68 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 119.01 -0.519 . . . . 0.0 111.405 175.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.85 -42.87 98.68 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 119.307 0.958 . . . . 0.0 112.364 176.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 82.5 p -68.03 -46.01 72.38 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 119.34 0.973 . . . . 0.0 112.298 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -64.72 -44.37 90.41 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.473 1.033 . . . . 0.0 111.835 172.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 62.6 m -62.1 -38.56 89.34 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 118.039 -0.981 . . . . 0.0 112.456 176.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.9 -54.31 47.66 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.763 1.165 . . . . 0.0 110.933 169.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 45.0 mt -50.1 -43.33 51.47 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.698 1.135 . . . . 0.0 111.652 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.77 -42.89 98.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 123.805 0.842 . . . . 0.0 112.399 175.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.511 HG21 ' HA ' ' A' ' 24' ' ' TYR . 3.1 m -63.87 -45.74 88.05 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 120.155 1.343 . . . . 0.0 112.581 171.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 17.8 mt -64.15 -48.51 75.74 Favored 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 123.033 0.533 . . . . 0.0 109.659 -177.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -48.86 -44.45 39.71 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.869 0.868 . . . . 0.0 113.077 171.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.15 -38.5 56.66 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -116.3 -34.83 4.51 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -168.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.1 tt -72.94 125.4 91.13 Favored Pre-proline 0 CA--C 1.544 0.742 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 172.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -70.97 71.93 2.09 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.265 2.644 . . . . 0.0 111.054 171.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.28 11.63 0.22 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.889 2.076 . . . . 0.0 113.403 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 49.53 21.37 0.6 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.354 2.262 . . . . 0.0 113.811 -175.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.7 p90 36.91 27.04 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 127.468 2.307 . . . . 0.0 115.541 -165.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.86 155.39 91.77 Favored Pre-proline 0 N--CA 1.48 1.03 0 O-C-N 120.696 -1.252 . . . . 0.0 111.69 -173.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -64.88 -46.99 5.5 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.158 1.905 . . . . 0.0 110.951 173.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.22 98.96 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 118.897 -0.573 . . . . 0.0 112.135 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 88.0 t -65.75 -41.96 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-N 120.261 1.392 . . . . 0.0 112.348 -177.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.31 -37.51 87.77 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.447 1.021 . . . . 0.0 112.163 173.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.47 -55.35 36.19 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 117.91 0.323 . . . . 0.0 110.578 171.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.7 m -56.91 -48.3 78.55 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.572 1.549 . . . . 0.0 112.693 -177.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 75.5 mt -64.62 -43.94 92.11 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.493 0.588 . . . . 0.0 111.949 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.52 -54.86 33.67 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 119.553 1.069 . . . . 0.0 111.985 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -27.84 67.94 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -66.6 -49.97 64.56 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 118.885 0.766 . . . . 0.0 111.38 169.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.92 -32.81 68.13 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.07 -1.019 . . . . 0.0 111.763 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.82 -32.82 73.63 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 171.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 93.1 p -74.1 -42.52 59.98 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 120.061 -1.649 . . . . 0.0 111.281 170.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 95.0 t -53.52 -50.42 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.036 0.934 . . . . 0.0 110.274 174.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.408 ' CB ' ' CD1' ' A' ' 98' ' ' PHE . 96.6 p -66.01 -45.19 82.45 Favored 'General case' 0 C--O 1.227 -0.108 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 177.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 23.2 m -52.35 -44.39 65.18 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.202 0.91 . . . . 0.0 110.511 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 68.1 t -66.83 -47.81 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 122.992 0.517 . . . . 0.0 112.167 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -19.8 63.16 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 177.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 98.2 m -101.68 -2.63 29.85 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.134 2.174 . . . . 0.0 112.139 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.8 p -70.02 175.32 4.53 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.584 -1.322 . . . . 0.0 112.65 175.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -135.68 77.23 1.66 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.931 1.292 . . . . 0.0 110.86 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.8 -155.56 0.63 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.389 1.076 . . . . 0.0 111.567 171.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 . . . . . 0 C--O 1.255 1.364 0 C-N-CA 126.471 1.908 . . . . 0.0 113.09 -166.835 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.332 3.5 p . . . . . 0 N--CA 1.515 2.806 0 CA-C-O 116.909 -1.52 . . . . 0.0 112.92 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 m80 21.86 73.16 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 127.874 2.47 . . . . 0.0 114.527 -175.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.69 160.59 11.35 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.881 0.473 . . . . 0.0 111.41 -176.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p -62.75 150.67 86.48 Favored Pre-proline 0 N--CA 1.481 1.097 0 CA-C-O 118.29 -0.862 . . . . 0.0 109.071 168.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -53.09 -36.94 78.62 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.601 2.201 . . . . 0.0 114.336 173.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -64.34 -47.22 80.21 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.631 1.172 . . . . 0.0 112.16 173.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -72.0 -39.38 69.27 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.267 -0.896 . . . . 0.0 111.813 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.5 -45.3 73.24 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.677 1.191 . . . . 0.0 111.048 168.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.3 t -57.27 -51.64 68.53 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.505 1.048 . . . . 0.0 111.069 171.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.02 -50.09 64.94 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.913 0.885 . . . . 0.0 113.382 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.456 HG23 ' CE1' ' B' ' 130' ' ' TYR . 7.2 p -69.24 -57.51 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.431 -0.793 . . . . 0.0 112.369 174.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -68.5 -36.35 78.78 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 120.936 -1.103 . . . . 0.0 111.97 -167.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.63 -37.57 85.12 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.121 0.873 . . . . 0.0 112.035 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.53 -41.68 83.96 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.38 -0.825 . . . . 0.0 110.425 173.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -18.51 19.61 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 166.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.03 -34.31 42.47 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.966 1.27 . . . . 0.0 113.787 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.01 -15.15 19.17 Favored 'General case' 0 N--CA 1.483 1.225 0 CA-C-N 118.816 1.308 . . . . 0.0 114.211 174.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.51 142.34 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.527 1.131 . . . . 0.0 112.853 -177.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -91.53 90.45 7.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.076 0.95 . . . . 0.0 108.811 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.38 -38.68 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -167.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -62.1 -47.7 83.45 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 118.74 0.7 . . . . 0.0 112.686 173.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -82.79 -51.15 7.93 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 122.756 0.422 . . . . 0.0 110.967 -169.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.8 -32.56 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.45 -0.781 . . . . 0.0 111.67 172.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.21 -47.43 23.38 Favored Glycine 0 C--N 1.339 0.734 0 CA-C-N 119.216 0.917 . . . . 0.0 111.286 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.87 -38.46 95.39 Favored Glycine 0 N--CA 1.465 0.627 0 CA-C-N 117.807 0.804 . . . . 0.0 113.007 170.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -64.69 -42.32 95.4 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 117.815 -1.088 . . . . 0.0 111.832 170.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.591 ' HA ' HG11 ' B' ' 113' ' ' VAL . . . -65.34 -53.0 50.06 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 121.801 2.091 . . . . 0.0 112.657 178.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 tp -69.31 -34.01 74.04 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 118.503 -0.76 . . . . 0.0 111.245 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.94 -48.93 71.26 Favored Glycine 0 N--CA 1.466 0.675 0 CA-C-N 119.228 0.922 . . . . 0.0 112.082 171.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.408 ' HB3' HG13 ' B' ' 109' ' ' VAL . 0.4 OUTLIER -52.06 -37.57 54.16 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 118.776 1.288 . . . . 0.0 111.474 173.649 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' B' ' 106' ' ' LEU . 23.4 tp -52.46 -45.62 66.17 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.359 1.436 . . . . 0.0 112.216 174.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.663 HD13 HD12 ' B' ' 48' ' ' LEU . 6.9 mt -71.89 -32.78 67.77 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.143 1.777 . . . . 0.0 111.479 -176.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.95 -48.06 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 122.866 0.466 . . . . 0.0 111.633 174.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.27 -43.16 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.745 1.618 . . . . 0.0 110.62 -176.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -123.08 98.87 41.51 Favored Pre-proline 0 CA--C 1.537 0.451 0 C-N-CA 124.29 1.036 . . . . 0.0 110.992 174.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -67.34 -16.54 48.27 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.437 2.091 . . . . 0.0 113.106 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.28 -45.27 68.83 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.652 1.114 . . . . 0.0 110.753 170.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -14.47 9.25 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.485 1.514 . . . . 0.0 113.469 -176.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . 0.415 ' HG3' HD21 ' B' ' 48' ' ' LEU . 7.4 tt0 -53.15 -23.62 8.69 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.525 1.13 . . . . 0.0 113.531 170.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -39.49 64.74 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 121.574 1.988 . . . . 0.0 112.199 174.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -83.64 10.46 9.17 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 0.463 ' HB2' HD22 ' B' ' 48' ' ' LEU . 0.4 OUTLIER -61.04 -15.29 30.58 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 171.45 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.03 -27.49 19.83 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 118.972 0.805 . . . . 0.0 112.83 172.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -84.44 -41.69 16.38 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.987 0.915 . . . . 0.0 113.367 167.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -68.86 -26.67 65.25 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.45 -43.87 1.88 Allowed Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.523 1.535 . . . . 0.0 116.241 168.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -96.86 -111.87 0.14 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.644 1.222 . . . . 0.0 109.199 171.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.663 HD12 HD13 ' B' ' 32' ' ' LEU . 0.0 OUTLIER 58.19 -8.88 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -177.383 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.21 -15.39 2.3 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.799 2.04 . . . . 0.0 116.147 -169.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . 0.481 ' H ' ' HB3' ' B' ' 53' ' ' ALA . 18.9 p -139.88 162.08 52.56 Favored Pre-proline 0 N--CA 1.47 0.541 0 C-N-CA 127.351 2.261 . . . . 0.0 109.196 173.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.45 -43.66 55.6 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.726 2.284 . . . . 0.0 113.23 173.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.49 -43.01 99.85 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.451 -0.78 . . . . 0.0 111.829 174.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.481 ' HB3' ' H ' ' B' ' 50' ' ' THR . . . -57.92 -45.05 87.12 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.089 175.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.5 t -50.21 -47.46 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 CA-C-N 119.91 1.232 . . . . 0.0 112.549 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mmt -75.47 -27.86 59.03 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -174.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.69 -6.51 56.26 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.284 0.945 . . . . 0.0 115.164 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.6 112.37 5.17 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 125.929 1.692 . . . . 0.0 112.447 -173.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.94 -41.04 56.87 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 123.06 2.507 . . . . 0.0 113.625 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -63.4 -36.63 84.36 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.07 -1.019 . . . . 0.0 112.576 174.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 77.8 t -65.88 -36.7 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-N 120.284 1.402 . . . . 0.0 111.899 173.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -63.4 -51.45 65.77 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.211 0.914 . . . . 0.0 111.87 170.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.26 -44.13 97.24 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.24 1.016 . . . . 0.0 113.654 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -71.21 -34.57 70.97 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.272 1.429 . . . . 0.0 111.025 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.53 -43.49 98.79 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.724 1.63 . . . . 0.0 113.127 169.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -56.26 -45.19 80.17 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 118.203 1.002 . . . . 0.0 111.609 166.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.12 -51.87 67.77 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.216 0.916 . . . . 0.0 112.701 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 10.0 m -58.75 -40.02 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 119.58 1.082 . . . . 0.0 111.611 175.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 tt -71.6 -40.21 69.99 Favored 'General case' 0 C--O 1.223 -0.291 0 O-C-N 121.02 -1.05 . . . . 0.0 112.772 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.16 -40.68 52.39 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.381 0.991 . . . . 0.0 111.394 171.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.23 -49.32 72.39 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 169.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -57.56 -37.31 72.91 Favored 'General case' 0 CA--C 1.556 1.202 0 O-C-N 119.936 -1.728 . . . . 0.0 113.042 174.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 75.1 m -67.07 -46.13 75.23 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.715 1.606 . . . . 0.0 113.355 172.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -57.07 -27.39 61.69 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.844 0.747 . . . . 0.0 111.808 171.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.18 -60.73 7.16 Favored Glycine 0 C--N 1.34 0.787 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 168.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.62 -24.29 55.64 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.82 -15.43 41.99 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.702 1.601 . . . . 0.0 114.597 173.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -149.73 36.68 0.71 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -170.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 88.9 mt -56.66 -18.01 10.78 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.323 1.449 . . . . 0.0 114.672 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -55.01 -38.29 67.71 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.569 1.548 . . . . 0.0 113.496 177.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.9 87.25 0.93 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.587 1.155 . . . . 0.0 111.144 176.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.29 -44.43 96.54 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.778 -0.576 . . . . 0.0 111.735 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -61.19 -15.75 37.43 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 120.574 -1.329 . . . . 0.0 113.864 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.61 -14.59 49.67 Favored Glycine 0 CA--C 1.541 1.719 0 C-N-CA 125.99 1.757 . . . . 0.0 115.647 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.9 m -112.94 -26.59 8.44 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 118.861 1.33 . . . . 0.0 112.306 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -95.02 4.53 53.67 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.665 1.186 . . . . 0.0 113.23 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.1 -38.87 71.32 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.738 1.385 . . . . 0.0 114.738 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 7.2 p -67.28 -35.44 79.48 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.15 -0.969 . . . . 0.0 112.223 173.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 35.3 mt -77.48 -33.39 54.56 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 118.852 -0.594 . . . . 0.0 112.394 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 99.4 p -70.48 -38.4 74.38 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 120.632 1.56 . . . . 0.0 111.853 173.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.64 -47.03 87.2 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.719 -0.613 . . . . 0.0 112.041 166.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 46.9 tp -55.94 -53.81 52.38 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.924 -1.11 . . . . 0.0 111.646 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -80.91 24.45 0.5 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.708 1.203 . . . . 0.0 113.796 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 42.5 t -145.88 -63.0 0.32 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.646 0.778 . . . . 0.0 112.497 169.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.53 -36.19 78.49 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.679 -1.263 . . . . 0.0 113.102 -177.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.28 -35.6 12.36 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 174.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 17.1 mt -136.68 69.26 1.42 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.294 1.838 . . . . 0.0 109.943 -171.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -69.84 26.37 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 7.5 p -43.92 150.4 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 126.91 2.084 . . . . 0.0 111.514 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.28 128.46 1.71 Allowed Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 123.448 0.699 . . . . 0.0 112.14 171.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -64.59 -46.22 7.5 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 121.405 1.404 . . . . 0.0 110.943 -172.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.56 -40.26 0.84 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.42 1.888 . . . . 0.0 115.539 -177.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . 0.559 ' ND2' HBC2 ' B' ' 201' ' ' HEC . 60.9 t30 -56.79 -27.0 59.07 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 176.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . 0.415 ' CD2' ' HB1' ' B' ' 138' ' ' ALA . 0.0 OUTLIER -55.97 -38.38 70.31 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 120.343 1.429 . . . . 0.0 112.848 170.705 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -86.51 -37.96 17.71 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 125.1 1.36 . . . . 0.0 109.756 -176.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 94.6 mt -59.12 -46.82 87.35 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.901 170.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.428 ' HA ' HD13 ' B' ' 31' ' ' LEU . 5.0 tt -57.74 -45.12 86.26 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.415 1.007 . . . . 0.0 111.484 172.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -56.87 -53.84 41.2 Favored Glycine 0 CA--C 1.532 1.132 0 N-CA-C 115.087 0.795 . . . . 0.0 115.087 172.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.38 -23.81 63.78 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 120.783 -1.422 . . . . 0.0 112.189 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.408 HG13 ' HB3' ' B' ' 30' ' ' ARG . 23.7 t -68.56 -49.02 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 O-C-N 120.96 -1.087 . . . . 0.0 111.09 163.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 48.1 tp -54.43 -48.48 71.62 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 123.789 0.836 . . . . 0.0 110.466 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.556 HG12 ' HB3' ' B' ' 130' ' ' TYR . 3.1 m -60.94 -30.8 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 119.001 0.818 . . . . 0.0 112.278 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 9.1 t -76.59 -41.65 45.5 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.96 0.904 . . . . 0.0 112.253 -174.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . 0.591 HG11 ' HA ' ' B' ' 27' ' ' ALA . 0.1 OUTLIER -62.35 -39.9 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 O-C-N 120.907 -1.121 . . . . 0.0 112.236 172.75 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.65 -44.69 95.63 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 120.562 1.528 . . . . 0.0 109.193 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.08 -31.25 65.05 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 171.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -50.6 28.02 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.301 0.955 . . . . 0.0 112.682 173.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -74.71 -20.95 59.64 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -175.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -125.25 42.2 3.34 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.778 2.031 . . . . 0.0 110.903 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -53.5 -29.56 39.68 Favored Glycine 0 N--CA 1.474 1.207 0 C-N-CA 124.918 1.247 . . . . 0.0 115.829 -177.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -80.46 -2.23 44.99 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.914 1.286 . . . . 0.0 114.005 174.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -138.2 2.75 2.34 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.066 2.146 . . . . 0.0 113.361 -170.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -71.43 19.79 0.06 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 117.328 2.344 . . . . 0.0 117.328 -168.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 27.0 p -32.58 144.56 0.12 Allowed Pre-proline 0 N--CA 1.486 1.364 0 C-N-CA 127.827 2.451 . . . . 0.0 115.683 -157.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -42.85 -47.17 8.27 Favored 'Trans proline' 0 CA--C 1.552 1.383 0 C-N-CA 122.237 1.958 . . . . 0.0 115.753 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.83 -22.22 23.86 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.328 2.019 . . . . 0.0 115.822 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 1.1 t -51.14 -53.05 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 CA-C-N 121.705 2.048 . . . . 0.0 110.222 170.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -43.99 97.51 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.328 -0.858 . . . . 0.0 111.989 -178.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.32 96.99 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 121.817 -0.552 . . . . 0.0 112.466 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.55 81.25 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.2 0.6 . . . . 0.0 111.045 174.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.556 ' HB3' HG12 ' B' ' 111' ' ' VAL . 43.0 m-85 -56.52 -49.56 74.39 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 118.485 -0.769 . . . . 0.0 111.702 170.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -54.39 -37.04 64.56 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.722 1.147 . . . . 0.0 113.017 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -71.31 -41.7 69.57 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 120.642 1.565 . . . . 0.0 114.569 177.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 2.9 p -66.22 -43.01 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 CA-C-N 120.64 1.564 . . . . 0.0 111.113 171.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 28.6 t -58.63 -48.55 85.4 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 C-N-CA 124.464 1.106 . . . . 0.0 111.029 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.08 97.71 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.222 1.009 . . . . 0.0 112.158 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.17 -48.39 83.19 Favored Glycine 0 N--CA 1.471 0.982 0 O-C-N 121.76 -0.587 . . . . 0.0 112.978 175.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.11 -42.11 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 118.093 0.946 . . . . 0.0 111.127 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . 0.415 ' HB1' ' CD2' ' B' ' 103' ' ' PHE . . . -58.11 -47.02 84.55 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.341 1.056 . . . . 0.0 110.966 174.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -59.64 -37.79 79.62 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.242 -0.911 . . . . 0.0 112.604 173.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.64 96.53 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.741 0.701 . . . . 0.0 111.879 171.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.55 -39.78 92.34 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.892 1.223 . . . . 0.0 112.224 174.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.01 -10.01 50.23 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 172.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -60.9 -26.79 67.69 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 120.585 1.539 . . . . 0.0 114.204 -174.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -84.19 -13.34 53.03 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.212 1.005 . . . . 0.0 113.583 173.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -95.55 -33.32 12.45 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.984 1.714 . . . . 0.0 111.928 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.257 1.461 0 C-N-CA 129.797 3.239 . . . . 0.0 117.711 174.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.514 2.747 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -137.73 -177.23 4.71 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 121.552 1.978 . . . . 0.0 112.919 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.01 -163.4 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 126.182 1.793 . . . . 0.0 112.01 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -102.55 -38.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 123.159 2.573 . . . . 0.0 115.135 169.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.63 -32.21 71.92 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 120.633 -1.292 . . . . 0.0 112.77 -174.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -59.31 -48.65 80.84 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 125.051 1.341 . . . . 0.0 112.63 166.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -55.65 -49.07 73.86 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.042 0.837 . . . . 0.0 109.813 174.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 80.2 m -55.5 -50.12 70.77 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.51 0.724 . . . . 0.0 112.357 176.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -61.61 -39.57 91.73 Favored 'General case' 0 C--O 1.224 -0.268 0 O-C-N 121.659 -0.65 . . . . 0.0 112.236 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 41.5 t -65.32 -44.12 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 124.003 0.921 . . . . 0.0 111.402 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -61.63 -46.22 90.72 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.5 1.045 . . . . 0.0 111.389 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.68 -52.66 64.54 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.26 0.624 . . . . 0.0 111.365 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.54 -51.62 68.72 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.54 1.136 . . . . 0.0 111.787 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -66.37 -27.17 67.66 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.255 -0.903 . . . . 0.0 113.108 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.95 -41.48 94.33 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.339 0.971 . . . . 0.0 112.936 167.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -69.71 -35.0 74.68 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 118.388 1.094 . . . . 0.0 111.792 171.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' C' ' 21' ' ' ALA . 87.0 t -65.83 -26.97 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 125.008 1.323 . . . . 0.0 113.706 177.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -35.89 123.0 0.69 Allowed Glycine 0 CA--C 1.54 1.64 0 C-N-CA 125.196 1.379 . . . . 0.0 114.412 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 78.9 -39.29 0.23 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 129.163 2.985 . . . . 0.0 114.611 -173.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -75.37 -17.41 60.23 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.205 1.002 . . . . 0.0 113.608 175.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -38.48 -54.47 1.49 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 127.395 2.278 . . . . 0.0 114.501 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.38 -32.48 64.99 Favored Glycine 0 N--CA 1.466 0.634 0 O-C-N 121.755 -0.591 . . . . 0.0 114.106 -178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -59.31 -45.98 89.82 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.995 0.918 . . . . 0.0 109.489 170.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . 0.515 ' HA ' HG21 ' C' ' 108' ' ' THR . 13.0 m-30 -65.93 -39.88 90.9 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.62 -46.98 93.39 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 123.182 0.42 . . . . 0.0 112.671 171.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.44 -45.77 90.64 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 117.956 0.878 . . . . 0.0 112.076 177.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.09 -41.15 97.9 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.197 0.599 . . . . 0.0 112.326 174.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.12 -45.87 89.96 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.87 -0.519 . . . . 0.0 112.15 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 74.9 mt -56.36 -54.21 48.19 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.147 0.979 . . . . 0.0 110.996 175.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -58.27 -40.79 82.82 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.881 0.472 . . . . 0.0 111.9 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.5 ttm105 -61.58 -35.17 77.05 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 117.337 -1.316 . . . . 0.0 113.017 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 13.3 mtm -61.29 -45.98 92.23 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 120.434 1.47 . . . . 0.0 111.486 171.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -66.45 -15.8 63.61 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -111.27 -22.73 11.22 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.744 1.217 . . . . 0.0 113.336 174.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 82.4 p -80.08 -36.47 35.45 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.894 1.225 . . . . 0.0 113.53 172.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -130.51 80.33 70.43 Favored Pre-proline 0 CA--C 1.541 0.63 0 C-N-CA 127.574 2.35 . . . . 0.0 109.354 -175.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.39 -17.09 3.85 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 123.755 2.97 . . . . 0.0 115.686 175.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 5.6 p -54.61 -31.37 57.01 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.269 1.427 . . . . 0.0 113.987 166.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . 0.452 HG22 ' ND2' ' C' ' 97' ' ' ASN . 12.4 p -63.09 -39.1 93.71 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.779 1.627 . . . . 0.0 111.572 174.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -56.23 -37.54 69.87 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.735 1.614 . . . . 0.0 112.703 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.25 -24.69 66.56 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 177.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -67.73 -12.54 60.75 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.272 -0.893 . . . . 0.0 112.509 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 32.46 57.5 1.32 Allowed Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 127.208 2.203 . . . . 0.0 112.906 -177.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -77.91 64.07 8.2 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 124.243 3.295 . . . . 0.0 112.625 -162.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.29 3.4 p-80 49.45 20.67 0.49 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 128.734 2.814 . . . . 0.0 115.957 -168.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -111.87 149.24 32.12 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.181 1.392 . . . . 0.0 112.075 -173.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.34 -18.53 6.75 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.928 1.691 . . . . 0.0 113.34 -173.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt 51.72 38.08 21.94 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.634 1.574 . . . . 0.0 113.754 175.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 66.4 p -67.28 22.49 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 127.977 2.511 . . . . 0.0 117.003 -172.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 m80 73.48 114.16 0.06 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 128.653 2.781 . . . . 0.0 112.832 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.97 25.64 70.9 Favored Glycine 0 CA--C 1.539 1.583 0 O-C-N 121.535 -0.728 . . . . 0.0 113.988 -174.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 88.0 p -64.96 142.06 58.57 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.382 1.073 . . . . 0.0 113.365 -169.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.94 -33.23 75.24 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.549 -0.719 . . . . 0.0 112.636 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -63.5 -40.95 98.41 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 95.7 t -71.13 -44.4 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 CA-C-N 119.863 1.21 . . . . 0.0 111.326 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.9 -44.52 95.88 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 118.732 0.696 . . . . 0.0 111.973 174.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.22 -51.64 57.61 Favored Glycine 0 N--CA 1.47 0.962 0 C-N-CA 124.042 0.829 . . . . 0.0 112.32 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -58.65 -41.51 86.21 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.654 -0.91 . . . . 0.0 111.724 174.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.84 -49.68 46.97 Favored Glycine 0 CA--C 1.532 1.117 0 O-C-N 121.537 -0.727 . . . . 0.0 113.277 170.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -44.6 87.39 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 118.355 1.078 . . . . 0.0 112.159 173.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . 0.478 ' HB3' HMA3 ' C' ' 201' ' ' HEC . 10.5 mmpt? -59.43 -54.19 49.5 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 119.499 1.045 . . . . 0.0 111.939 175.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 86.3 t -53.77 -42.0 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.112 0.965 . . . . 0.0 110.751 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . 0.595 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -65.8 -45.62 81.69 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 176.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -61.6 -35.59 78.28 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 120.098 1.317 . . . . 0.0 112.387 174.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.59 98.47 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.281 -0.887 . . . . 0.0 112.382 169.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.0 -43.21 86.52 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 118.92 -0.562 . . . . 0.0 111.334 170.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 21.1 m -59.12 -45.57 90.56 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.928 1.24 . . . . 0.0 111.877 173.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -34.39 78.3 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.575 1.079 . . . . 0.0 111.824 177.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.65 -48.77 79.32 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.033 169.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 97.1 t -56.79 -45.53 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 120.091 1.314 . . . . 0.0 111.463 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.59 -25.29 67.24 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -141.11 31.65 1.76 Allowed 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 124.236 1.014 . . . . 0.0 112.74 -167.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 6.3 p -61.24 -16.19 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 119.352 -2.093 . . . . 0.0 115.879 -162.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -102.17 -0.27 33.47 Favored 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 172.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -130.82 -0.67 4.25 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 128.216 2.606 . . . . 0.0 113.301 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -60.77 -15.86 0.31 Allowed Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 117.357 2.354 . . . . 0.0 117.357 -177.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -47.51 -29.43 10.31 Favored 'Trans proline' 0 C--N 1.358 1.046 0 CA-C-N 123.667 2.345 . . . . 0.0 115.69 163.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.48 -40.12 15.61 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.231 0.923 . . . . 0.0 113.14 170.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.73 -24.81 61.03 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 80.1 mt -97.35 2.65 50.83 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.975 1.31 . . . . 0.0 112.625 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -53.84 -40.86 66.83 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 120.066 1.303 . . . . 0.0 113.932 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.73 -15.47 29.64 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 175.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mt -109.41 -31.27 7.59 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.399 1.88 . . . . 0.0 111.092 -172.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 14.6 m -56.19 -42.46 77.18 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 119.255 -0.402 . . . . 0.0 110.353 153.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -61.97 -32.09 72.5 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.573 1.079 . . . . 0.0 112.968 172.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.2 -66.1 0.56 Allowed 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.052 1.297 . . . . 0.0 108.716 162.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -61.11 -10.12 5.75 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 116.054 1.872 . . . . 0.0 116.054 -173.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.9 -11.7 7.61 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.667 1.587 . . . . 0.0 114.715 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -134.69 -1.51 2.76 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 120.065 1.302 . . . . 0.0 114.359 175.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.81 98.62 2.21 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.822 1.249 . . . . 0.0 112.092 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 7.6 mt 69.93 81.22 0.17 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.349 1.459 . . . . 0.0 110.942 -175.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -63.63 -6.03 4.81 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 116.148 1.907 . . . . 0.0 116.148 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 24.7 t -1.58 114.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 130.001 3.32 . . . . 0.0 115.216 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -34.81 124.09 0.55 Allowed Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 124.976 1.311 . . . . 0.0 112.783 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -43.0 -13.16 0.04 OUTLIER 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 125.0 3.8 . . . . 0.0 116.965 168.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 5.4 p -42.28 -40.63 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 121.138 1.79 . . . . 0.0 112.808 161.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . 0.452 ' ND2' HG22 ' C' ' 39' ' ' THR . 27.0 m120 -73.68 -25.52 60.29 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 117.67 -1.157 . . . . 0.0 113.018 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -57.82 -52.62 64.7 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 120.124 1.329 . . . . 0.0 109.038 166.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -55.9 -38.07 69.71 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.011 0.924 . . . . 0.0 111.623 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 78.2 mt -69.7 -47.86 61.67 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 119.011 -0.519 . . . . 0.0 111.388 175.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.84 -42.94 98.76 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.332 0.969 . . . . 0.0 112.274 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 82.0 p -68.19 -45.95 72.01 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.211 0.914 . . . . 0.0 112.179 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -64.59 -44.44 90.65 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.514 1.052 . . . . 0.0 111.86 172.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 62.9 m -62.09 -38.65 89.65 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.186 -0.946 . . . . 0.0 112.446 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 22.1 mt -59.74 -54.8 42.08 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.705 1.139 . . . . 0.0 110.768 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 46.2 mt -49.45 -43.58 45.05 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.814 1.188 . . . . 0.0 111.746 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.91 -42.82 97.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 123.776 0.83 . . . . 0.0 112.321 175.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 108' ' ' THR . . . . . 0.515 HG21 ' HA ' ' C' ' 24' ' ' TYR . 3.0 m -63.79 -45.89 87.64 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.275 1.398 . . . . 0.0 112.482 171.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.11 -48.48 75.93 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.925 -0.56 . . . . 0.0 109.649 -177.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -48.77 -44.5 38.85 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.97 0.908 . . . . 0.0 113.09 171.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.1 -38.5 56.83 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -116.36 -34.67 4.54 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -168.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 3.1 tt -73.13 125.33 91.03 Favored Pre-proline 0 CA--C 1.546 0.797 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 171.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -70.88 71.95 2.04 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.245 2.63 . . . . 0.0 111.128 171.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.23 11.52 0.22 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.832 2.053 . . . . 0.0 113.461 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 49.68 21.23 0.62 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.413 2.285 . . . . 0.0 113.775 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 13.9 p90 36.94 27.08 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.454 2.302 . . . . 0.0 115.572 -165.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.92 155.23 92.25 Favored Pre-proline 0 N--CA 1.479 0.976 0 O-C-N 120.507 -1.37 . . . . 0.0 111.815 -173.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.87 -46.86 5.77 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.076 1.851 . . . . 0.0 110.968 173.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.07 98.93 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 118.939 -0.553 . . . . 0.0 112.092 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 90.4 t -65.94 -41.92 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 120.172 1.351 . . . . 0.0 112.348 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -37.55 87.88 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.351 0.978 . . . . 0.0 112.218 173.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.58 -55.24 37.62 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 117.969 0.349 . . . . 0.0 110.525 171.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 15.8 m -56.97 -48.04 79.33 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.469 1.508 . . . . 0.0 112.74 -177.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.87 -43.94 91.33 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.588 0.631 . . . . 0.0 111.916 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.44 -54.91 33.28 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.548 1.067 . . . . 0.0 112.022 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -27.92 67.96 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -66.42 -49.9 65.21 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.94 0.791 . . . . 0.0 111.442 169.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.15 -32.55 68.29 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.148 -0.97 . . . . 0.0 111.749 174.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.9 -32.91 73.72 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 171.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 93.1 p -74.01 -42.5 60.27 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.125 -1.609 . . . . 0.0 111.301 170.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 94.0 t -53.59 -50.27 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.961 0.904 . . . . 0.0 110.385 173.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 133' ' ' SER . . . . . 0.412 ' CB ' ' CD1' ' C' ' 98' ' ' PHE . 96.1 p -66.17 -45.04 82.31 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 177.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 23.2 m -52.45 -44.38 65.48 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.221 0.919 . . . . 0.0 110.567 175.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.94 -47.53 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 123.012 0.525 . . . . 0.0 112.289 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -19.98 63.19 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 177.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 98.5 m -101.79 -2.56 29.81 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.1 2.16 . . . . 0.0 112.172 177.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 3.9 p -70.1 175.41 4.53 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 120.569 -1.332 . . . . 0.0 112.601 175.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -135.86 77.25 1.65 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.821 1.248 . . . . 0.0 110.813 -178.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.82 -155.57 0.64 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.366 1.066 . . . . 0.0 111.542 171.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 . . . . . 0 C--O 1.255 1.356 0 C-N-CA 126.531 1.932 . . . . 0.0 113.06 -166.866 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.33 3.6 p . . . . . 0 N--CA 1.516 2.839 0 CA-C-O 116.79 -1.576 . . . . 0.0 112.881 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 m80 21.81 73.17 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 127.841 2.456 . . . . 0.0 114.61 -175.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.51 160.55 10.98 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.953 0.501 . . . . 0.0 111.391 -176.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p -62.81 150.82 86.45 Favored Pre-proline 0 N--CA 1.48 1.049 0 CA-C-O 118.297 -0.859 . . . . 0.0 109.071 168.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -53.32 -36.85 80.03 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 122.687 2.258 . . . . 0.0 114.201 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -64.29 -47.35 79.86 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.66 1.184 . . . . 0.0 112.086 173.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -71.94 -39.56 69.35 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 121.183 -0.948 . . . . 0.0 111.746 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -45.3 72.71 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 117.732 -1.127 . . . . 0.0 111.109 168.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 24.2 t -57.18 -51.77 68.0 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.603 1.092 . . . . 0.0 111.085 171.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.05 -49.96 65.28 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' VAL . . . . . 0.448 HG23 ' CE1' ' D' ' 130' ' ' TYR . 7.3 p -69.37 -57.55 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 121.494 -0.754 . . . . 0.0 112.287 174.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 4.3 m -68.35 -36.38 79.16 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.008 -1.058 . . . . 0.0 111.961 -167.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.68 -37.49 84.86 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.146 0.885 . . . . 0.0 111.992 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.74 -41.64 83.11 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.387 -0.821 . . . . 0.0 110.362 173.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -18.62 19.44 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 166.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.03 -34.08 43.23 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.991 1.281 . . . . 0.0 113.791 174.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.1 -15.24 19.07 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 118.866 1.333 . . . . 0.0 114.189 174.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.61 142.32 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.419 1.088 . . . . 0.0 112.885 -177.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -91.41 90.31 7.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.069 0.948 . . . . 0.0 108.873 177.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.18 -38.76 62.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -167.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -62.17 -47.74 83.15 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.702 0.683 . . . . 0.0 112.562 173.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -82.86 -50.98 8.06 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 122.66 0.384 . . . . 0.0 111.044 -169.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -32.79 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 O-C-N 121.552 -0.718 . . . . 0.0 111.657 172.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.03 -47.32 24.84 Favored Glycine 0 C--N 1.34 0.79 0 CA-C-N 119.18 0.9 . . . . 0.0 111.475 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.0 -38.5 95.61 Favored Glycine 0 N--CA 1.466 0.693 0 CA-C-N 117.774 0.787 . . . . 0.0 112.944 170.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -64.51 -42.49 95.76 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 117.847 -1.073 . . . . 0.0 111.857 170.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' ALA . . . . . 0.588 ' HA ' HG11 ' D' ' 113' ' ' VAL . . . -65.07 -53.15 50.13 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 121.867 2.121 . . . . 0.0 112.693 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.3 -34.05 74.1 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 118.494 -0.765 . . . . 0.0 111.264 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.88 -48.92 71.74 Favored Glycine 0 N--CA 1.465 0.568 0 CA-C-N 119.263 0.938 . . . . 0.0 112.235 171.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' ARG . . . . . 0.404 ' HB3' HG13 ' D' ' 109' ' ' VAL . 0.4 OUTLIER -51.74 -37.68 52.16 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 118.687 1.244 . . . . 0.0 111.591 173.383 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' D' ' 106' ' ' LEU . 23.4 tp -52.51 -45.63 66.31 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.327 1.421 . . . . 0.0 112.293 175.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . 0.671 HD13 HD12 ' D' ' 48' ' ' LEU . 6.9 mt -71.83 -32.95 68.06 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.116 1.766 . . . . 0.0 111.395 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -78.79 -48.06 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 118.29 0.496 . . . . 0.0 111.678 174.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.28 -43.06 98.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.812 1.645 . . . . 0.0 110.607 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -123.32 99.0 40.59 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 124.255 1.022 . . . . 0.0 110.97 174.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -67.44 -16.4 47.5 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.377 2.051 . . . . 0.0 113.102 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -45.26 69.15 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.608 1.094 . . . . 0.0 110.705 170.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.99 -14.34 9.06 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.56 1.544 . . . . 0.0 113.479 -176.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' GLN . . . . . 0.403 ' HG3' HD21 ' D' ' 48' ' ' LEU . 7.3 tt0 -53.25 -23.63 9.35 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.634 1.174 . . . . 0.0 113.366 170.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -39.63 64.66 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 121.772 2.078 . . . . 0.0 112.112 173.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -83.6 10.36 9.33 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' PHE . . . . . 0.463 ' HB2' HD22 ' D' ' 48' ' ' LEU . 0.4 OUTLIER -61.01 -15.26 29.86 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 171.457 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -52.82 -27.71 19.44 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 119.078 0.854 . . . . 0.0 112.814 172.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -84.37 -41.8 16.36 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.073 0.949 . . . . 0.0 113.268 167.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -69.07 -26.45 64.96 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.39 -43.92 1.87 Allowed Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.488 1.518 . . . . 0.0 116.348 168.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -96.93 -111.93 0.15 Allowed 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.629 1.214 . . . . 0.0 109.097 171.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 48' ' ' LEU . . . . . 0.671 HD12 HD13 ' D' ' 32' ' ' LEU . 0.0 OUTLIER 58.39 -9.0 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 116.069 1.877 . . . . 0.0 116.069 -177.423 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.29 -15.34 2.37 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.799 2.039 . . . . 0.0 116.204 -169.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 50' ' ' THR . . . . . 0.491 ' H ' ' HB3' ' D' ' 53' ' ' ALA . 19.3 p -140.0 162.14 51.99 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 127.228 2.211 . . . . 0.0 109.092 173.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.47 -43.62 56.01 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.743 2.295 . . . . 0.0 113.192 173.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.42 -43.08 99.68 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.528 -0.733 . . . . 0.0 111.936 174.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . 0.491 ' HB3' ' H ' ' D' ' 50' ' ' THR . . . -57.94 -44.98 87.27 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.071 175.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 38.6 t -50.16 -47.58 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 CA-C-N 119.92 1.236 . . . . 0.0 112.578 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mmt -75.42 -27.8 59.13 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -174.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.75 -6.42 56.24 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.202 0.906 . . . . 0.0 115.205 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.72 112.39 5.25 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 125.88 1.672 . . . . 0.0 112.416 -173.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.91 -41.15 56.21 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.133 2.556 . . . . 0.0 113.611 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -63.4 -36.56 84.13 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.976 -1.077 . . . . 0.0 112.553 174.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.96 -36.73 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 CA-C-N 120.408 1.458 . . . . 0.0 111.813 173.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -63.43 -51.38 65.97 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 119.303 0.956 . . . . 0.0 111.917 170.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.55 96.48 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.45 1.1 . . . . 0.0 113.612 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -70.97 -34.52 71.5 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.38 1.472 . . . . 0.0 111.076 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.59 -43.59 98.76 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 125.826 1.679 . . . . 0.0 113.051 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -56.31 -44.75 80.21 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.277 1.039 . . . . 0.0 111.675 166.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -52.11 66.64 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.261 0.937 . . . . 0.0 112.572 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 9.5 m -58.75 -39.87 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.681 1.128 . . . . 0.0 111.615 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 tt -71.65 -40.33 69.74 Favored 'General case' 0 C--O 1.222 -0.36 0 O-C-N 120.959 -1.088 . . . . 0.0 112.704 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.98 -40.61 50.93 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 124.35 0.976 . . . . 0.0 111.498 171.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.28 -49.46 71.76 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 169.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -57.6 -37.24 72.91 Favored 'General case' 0 CA--C 1.556 1.206 0 O-C-N 119.85 -1.781 . . . . 0.0 113.046 174.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 75.3 m -66.93 -46.26 75.33 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.777 1.631 . . . . 0.0 113.483 172.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -56.9 -27.49 60.8 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.891 0.769 . . . . 0.0 111.86 171.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.24 -60.78 7.07 Favored Glycine 0 C--N 1.34 0.768 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 168.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.62 -24.09 54.59 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.92 -15.46 41.59 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.733 1.613 . . . . 0.0 114.569 173.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -149.64 36.51 0.72 Allowed 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -170.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 89.0 mt -56.55 -18.11 10.67 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.429 1.492 . . . . 0.0 114.755 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -54.89 -38.35 67.44 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.627 1.571 . . . . 0.0 113.511 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.89 87.25 0.93 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.632 1.173 . . . . 0.0 111.158 176.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.47 -44.32 96.67 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.705 -0.622 . . . . 0.0 111.7 175.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -61.08 -15.9 37.93 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 120.557 -1.339 . . . . 0.0 113.82 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.66 -14.46 49.98 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 126.008 1.766 . . . . 0.0 115.637 176.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.9 m -113.09 -26.38 8.48 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 118.851 1.326 . . . . 0.0 112.403 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -95.23 4.75 53.2 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.563 1.145 . . . . 0.0 113.122 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.23 -38.91 71.73 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 7.1 p -67.22 -35.45 79.6 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.186 -0.947 . . . . 0.0 112.223 173.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 35.8 mt -77.39 -33.54 55.08 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 118.963 -0.541 . . . . 0.0 112.374 176.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 99.5 p -70.43 -38.54 74.57 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 120.491 1.496 . . . . 0.0 111.723 173.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.47 -47.2 86.42 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.031 0.533 . . . . 0.0 112.078 166.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 47.1 tp -55.79 -53.78 52.5 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 120.908 -1.12 . . . . 0.0 111.747 175.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -80.95 24.43 0.5 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.638 1.175 . . . . 0.0 113.831 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 42.5 t -145.73 -63.1 0.33 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.615 0.766 . . . . 0.0 112.46 169.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.56 -36.22 78.47 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.817 -1.177 . . . . 0.0 113.111 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.24 -35.5 12.43 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 174.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 17.1 mt -136.7 69.15 1.42 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.329 1.852 . . . . 0.0 109.986 -172.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -69.68 26.08 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.1 0 O-C-N 120.714 -1.241 . . . . 0.0 114.343 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 7.4 p -43.79 150.37 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 126.944 2.098 . . . . 0.0 111.568 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.34 128.38 1.74 Allowed Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 123.535 0.734 . . . . 0.0 112.155 171.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -64.57 -46.07 7.8 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 121.363 1.375 . . . . 0.0 110.973 -172.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.67 -40.04 0.85 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.381 1.872 . . . . 0.0 115.66 -177.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 102' ' ' ASN . . . . . 0.56 ' ND2' HBC2 ' D' ' 201' ' ' HEC . 61.1 t30 -56.91 -26.95 60.24 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 176.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 103' ' ' PHE . . . . . 0.415 ' CD2' ' HB1' ' D' ' 138' ' ' ALA . 0.0 OUTLIER -56.19 -38.27 70.73 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 120.311 1.414 . . . . 0.0 112.907 170.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -86.47 -38.05 17.68 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 125.244 1.418 . . . . 0.0 109.733 -176.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.27 -46.6 88.09 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.906 170.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . 0.423 ' HA ' HD13 ' D' ' 31' ' ' LEU . 5.0 tt -57.74 -45.15 86.22 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.408 1.004 . . . . 0.0 111.517 172.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.02 -53.64 42.98 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 115.029 0.772 . . . . 0.0 115.029 172.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.42 -23.95 63.77 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.668 -1.489 . . . . 0.0 112.195 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 109' ' ' VAL . . . . . 0.404 HG13 ' HB3' ' D' ' 30' ' ' ARG . 23.5 t -68.68 -48.82 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 121.037 -1.039 . . . . 0.0 111.087 163.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 48.5 tp -54.51 -48.44 71.91 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 123.737 0.815 . . . . 0.0 110.445 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 111' ' ' VAL . . . . . 0.549 HG12 ' HB3' ' D' ' 130' ' ' TYR . 3.1 m -60.85 -30.89 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 119.068 0.849 . . . . 0.0 112.113 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 9.2 t -76.66 -41.61 44.97 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.003 0.921 . . . . 0.0 112.305 -174.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 113' ' ' VAL . . . . . 0.588 HG11 ' HA ' ' D' ' 27' ' ' ALA . 0.1 OUTLIER -62.35 -40.06 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 O-C-N 120.952 -1.093 . . . . 0.0 112.101 172.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -44.87 95.41 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.712 1.597 . . . . 0.0 109.14 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.21 -30.78 64.85 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 171.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.26 -50.43 27.3 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.29 0.95 . . . . 0.0 112.576 173.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -74.81 -20.88 59.6 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.323 0.861 . . . . 0.0 113.323 -175.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -125.32 42.34 3.31 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.736 2.015 . . . . 0.0 110.857 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -53.59 -29.46 40.13 Favored Glycine 0 N--CA 1.476 1.327 0 C-N-CA 124.81 1.195 . . . . 0.0 115.828 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -80.39 -2.25 44.78 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.828 1.251 . . . . 0.0 114.081 174.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -138.11 2.69 2.35 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 127.061 2.145 . . . . 0.0 113.294 -170.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -71.55 20.13 0.06 Allowed 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -168.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 26.9 p -32.69 144.39 0.13 Allowed Pre-proline 0 N--CA 1.487 1.395 0 C-N-CA 127.692 2.397 . . . . 0.0 115.737 -158.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -42.89 -46.88 8.5 Favored 'Trans proline' 0 CA--C 1.55 1.29 0 C-N-CA 122.08 1.854 . . . . 0.0 115.864 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.76 -22.51 23.71 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.397 2.065 . . . . 0.0 115.774 173.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 1.1 t -51.14 -52.9 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 121.647 2.021 . . . . 0.0 110.337 170.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -43.99 97.47 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 121.366 -0.834 . . . . 0.0 112.022 -178.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.35 97.07 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 121.75 -0.594 . . . . 0.0 112.346 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.67 80.77 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.263 0.625 . . . . 0.0 110.905 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 130' ' ' TYR . . . . . 0.549 ' HB3' HG12 ' D' ' 111' ' ' VAL . 42.8 m-85 -56.6 -49.33 75.26 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 118.469 -0.777 . . . . 0.0 111.73 170.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -54.4 -37.18 64.77 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.741 1.155 . . . . 0.0 112.966 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -71.24 -41.81 69.67 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.613 1.551 . . . . 0.0 114.523 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 2.8 p -66.22 -42.88 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 CA-C-N 120.587 1.54 . . . . 0.0 111.117 171.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 29.0 t -58.66 -48.67 85.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 C-N-CA 124.453 1.101 . . . . 0.0 110.922 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.97 97.9 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.272 1.029 . . . . 0.0 112.138 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.16 -48.57 82.04 Favored Glycine 0 N--CA 1.471 0.974 0 O-C-N 121.741 -0.599 . . . . 0.0 112.882 175.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -42.12 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.118 0.959 . . . . 0.0 111.128 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . 0.415 ' HB1' ' CD2' ' D' ' 103' ' ' PHE . . . -58.1 -47.02 84.5 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.301 1.04 . . . . 0.0 111.057 174.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -59.51 -37.92 79.56 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.328 -0.857 . . . . 0.0 112.699 173.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.35 -43.72 96.9 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.657 0.662 . . . . 0.0 111.988 171.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 15.3 mt -61.47 -39.97 92.84 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.714 1.143 . . . . 0.0 112.197 174.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.95 -9.88 48.86 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 172.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -61.01 -26.68 67.78 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.566 1.53 . . . . 0.0 114.179 -174.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -84.3 -13.25 52.95 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.136 0.975 . . . . 0.0 113.524 173.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -95.58 -33.22 12.47 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.016 1.726 . . . . 0.0 111.923 179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.254 1.333 0 C-N-CA 129.832 3.253 . . . . 0.0 117.69 174.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.471 HMA3 ' HB3' ' A' ' 61' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 201' ' ' HEC . . . . . 0.559 HBC2 ' ND2' ' B' ' 102' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 201' ' ' HEC . . . . . 0.478 HMA3 ' HB3' ' C' ' 61' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 201' ' ' HEC . . . . . 0.56 HBC2 ' ND2' ' D' ' 102' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.253 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.684 HD13 HG22 ' A' ' 73' ' ' VAL . 1.4 mp -125.53 -134.54 0.26 Allowed 'General case' 0 CA--C 1.56 1.336 0 CA-C-N 122.68 2.491 . . . . 0.0 110.202 -171.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m 124.9 -30.07 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.98 0 C-N-CA 130.863 3.665 . . . . 0.0 117.099 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -57.87 -173.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 124.814 3.676 . . . . 0.0 116.652 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.24 -28.51 1.95 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.596 1.558 . . . . 0.0 114.587 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -57.4 -45.59 84.38 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.34 -0.85 . . . . 0.0 113.023 169.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.46 -49.65 64.23 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 120.368 1.44 . . . . 0.0 109.869 171.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.1 m -57.5 -43.43 84.19 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.764 0.711 . . . . 0.0 111.166 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -63.67 -37.67 88.24 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.629 0.772 . . . . 0.0 112.478 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.19 -47.26 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 119.645 1.111 . . . . 0.0 111.558 171.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -43.98 94.49 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 119.74 1.155 . . . . 0.0 110.855 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.21 -56.48 21.57 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.997 0.919 . . . . 0.0 110.467 173.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.421 ' HB1' HD11 ' A' ' 113' ' ' LEU . . . -53.65 -52.49 59.78 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.406 1.082 . . . . 0.0 112.053 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -65.9 -27.04 67.9 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 178.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.98 -38.04 95.41 Favored Glycine 0 CA--C 1.535 1.338 0 O-C-N 121.289 -0.882 . . . . 0.0 112.834 168.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -67.51 -40.51 85.13 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 117.906 0.853 . . . . 0.0 111.311 169.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.5 t -60.35 -48.15 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.187 0.995 . . . . 0.0 112.369 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 35.62 -119.14 0.4 Allowed Glycine 0 CA--C 1.539 1.594 0 C-N-CA 125.115 1.34 . . . . 0.0 114.919 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.1 -25.44 66.22 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -68.28 -14.56 63.08 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.296 1.039 . . . . 0.0 113.085 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.536 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -42.14 -48.97 4.87 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.977 1.311 . . . . 0.0 113.951 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.26 -31.86 65.83 Favored Glycine 0 C--N 1.338 0.64 0 CA-C-O 118.784 -1.009 . . . . 0.0 113.639 -177.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.26 -41.77 96.78 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.503 1.152 . . . . 0.0 109.995 172.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.9 m-30 -67.17 -39.89 86.53 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 120.851 -1.156 . . . . 0.0 113.048 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.49 -48.24 86.0 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-N 118.741 0.701 . . . . 0.0 112.237 172.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.72 -51.6 68.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.308 1.043 . . . . 0.0 111.715 176.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -25.44 66.4 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.877 0.871 . . . . 0.0 113.008 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.78 -43.48 58.81 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.242 0.928 . . . . 0.0 111.725 174.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.5 mt -58.57 -47.92 82.67 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.743 0.817 . . . . 0.0 111.105 174.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -59.54 -48.33 82.06 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 119.274 -0.394 . . . . 0.0 111.633 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.17 -47.35 68.87 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.959 0.904 . . . . 0.0 112.968 172.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.569 ' HG2' HG21 ' A' ' 39' ' ' THR . 39.6 ttp -58.95 -43.01 91.18 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.517 0.599 . . . . 0.0 111.975 176.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -59.21 -56.11 26.28 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.808 0.731 . . . . 0.0 111.866 175.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.61 -23.98 61.01 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -174.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.8 p -82.6 -29.5 30.14 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.892 1.224 . . . . 0.0 113.612 172.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.49 ' O ' HG22 ' A' ' 39' ' ' THR . 14.4 m-85 -140.44 67.46 31.07 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 126.085 1.754 . . . . 0.0 110.841 -175.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -61.63 -22.01 73.42 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.882 2.388 . . . . 0.0 114.37 -170.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.7 p -55.59 -33.68 64.14 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.348 1.459 . . . . 0.0 113.318 168.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.569 HG21 ' HG2' ' A' ' 32' ' ' MET . 3.9 t -56.07 -30.54 62.14 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.525 1.13 . . . . 0.0 113.567 175.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -59.49 -30.91 68.89 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.172 1.389 . . . . 0.0 113.022 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 t -61.19 -24.42 66.3 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.534 ' CE1' ' HA ' ' A' ' 93' ' ' VAL . 0.1 OUTLIER -66.3 -15.23 63.07 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 175.01 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -146.52 84.35 7.8 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 124.285 1.034 . . . . 0.0 111.813 175.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -74.01 44.28 0.96 Allowed 'Trans proline' 0 CA--C 1.554 1.494 1 C-N-CA 125.538 4.159 . . . . 0.0 114.295 -174.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -160.55 91.06 0.89 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.689 2.396 . . . . 0.0 108.404 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -176.67 116.34 0.11 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.046 1.338 . . . . 0.0 110.225 167.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.507 ' HB2' HE22 ' A' ' 54' ' ' GLN . 7.2 m-20 -70.08 121.32 17.24 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.23 -0.919 . . . . 0.0 109.593 164.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.4 mt -106.83 25.73 10.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.592 1.157 . . . . 0.0 112.123 -175.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.8 p -57.0 153.33 11.46 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.649 1.18 . . . . 0.0 112.362 175.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -59.44 122.27 13.56 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.652 -0.655 . . . . 0.0 110.599 176.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.98 18.47 72.28 Favored Glycine 0 CA--C 1.539 1.557 0 CA-C-O 118.931 -0.927 . . . . 0.0 114.923 -175.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -47.18 123.15 5.11 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.081 1.44 . . . . 0.0 113.61 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.68 -18.08 61.74 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.449 1.099 . . . . 0.0 113.639 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.507 HE22 ' HB2' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -89.57 -41.54 11.94 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.405 1.002 . . . . 0.0 111.702 173.517 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.1 t -63.12 -38.48 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 O-C-N 121.425 -0.797 . . . . 0.0 111.461 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.79 -41.63 97.97 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 119.355 0.979 . . . . 0.0 113.512 171.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.28 -42.38 50.08 Favored Glycine 0 N--CA 1.474 1.215 0 C-N-CA 124.026 0.822 . . . . 0.0 112.386 -177.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -61.68 -44.22 97.36 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.858 -0.789 . . . . 0.0 110.694 168.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -49.92 -52.78 24.84 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 121.121 -0.987 . . . . 0.0 113.685 172.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -55.5 -35.67 65.84 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 118.858 1.329 . . . . 0.0 113.037 174.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -70.84 -49.75 42.86 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.431 1.093 . . . . 0.0 113.539 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 49.0 t -54.65 -41.13 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 O-C-N 120.923 -1.111 . . . . 0.0 110.729 171.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.536 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -60.51 -49.96 75.45 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 173.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -34.68 75.09 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 120.377 1.444 . . . . 0.0 111.845 177.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.85 97.96 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 170.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.56 -43.11 97.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 118.023 -0.989 . . . . 0.0 111.3 171.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.4 m -56.38 -49.02 75.67 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.554 1.524 . . . . 0.0 111.921 170.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -29.76 70.18 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.504 1.502 . . . . 0.0 112.439 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.55 -50.43 51.98 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 118.899 0.772 . . . . 0.0 110.961 170.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.0 t -58.19 -43.41 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 120.059 1.3 . . . . 0.0 111.423 177.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.85 -24.72 67.93 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.018 1.327 . . . . 0.0 113.593 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -138.68 34.02 2.22 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 124.26 1.024 . . . . 0.0 111.142 -173.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.684 HG22 HD13 ' A' ' 2' ' ' LEU . 5.9 p -57.58 -20.5 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 O-C-N 120.719 -1.238 . . . . 0.0 113.712 -167.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -111.38 -0.69 16.23 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.538 1.535 . . . . 0.0 114.379 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.77 23.2 5.0 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 129.405 3.082 . . . . 0.0 110.162 -172.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -109.12 30.02 0.08 OUTLIER Pre-proline 0 CA--C 1.547 0.827 0 C-N-CA 125.895 1.678 . . . . 0.0 114.577 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -64.85 -22.82 63.01 Favored 'Trans proline' 0 C--N 1.355 0.885 0 CA-C-N 123.657 2.342 . . . . 0.0 113.268 -174.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.88 5.94 2.4 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.293 1.437 . . . . 0.0 113.527 175.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.72 -27.06 66.48 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.001 -1.687 . . . . 0.0 113.303 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.6 mt -93.17 5.42 51.56 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.056 0.942 . . . . 0.0 112.01 173.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.6 m -60.85 -36.97 80.51 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 120.14 1.336 . . . . 0.0 113.742 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.5 -32.38 70.22 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.893 1.224 . . . . 0.0 112.291 173.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.76 -44.64 48.67 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.771 0.828 . . . . 0.0 110.061 173.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.7 t -54.46 -44.05 72.21 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.12 0.418 . . . . 0.0 111.63 172.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -60.14 -42.07 94.07 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.636 -1.29 . . . . 0.0 112.759 175.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tp -59.15 -59.38 5.55 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.646 -1.284 . . . . 0.0 111.4 170.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -69.76 -28.58 65.89 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.235 -0.915 . . . . 0.0 113.275 -173.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.08 -14.11 18.73 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.577 1.551 . . . . 0.0 114.167 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -124.99 -48.86 1.74 Allowed 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.701 1.137 . . . . 0.0 113.518 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -67.87 -34.71 77.21 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 119.897 1.226 . . . . 0.0 112.217 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.9 mt -118.78 -26.17 6.15 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.424 ' HE ' ' HA ' ' D' ' 40' ' ' ARG 0.327 1.3 mtt-85 42.1 53.18 4.35 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 127.806 2.442 . . . . 0.0 114.156 -170.843 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.534 ' HA ' ' CE1' ' A' ' 42' ' ' TYR . 72.1 t -76.84 125.89 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 127.361 2.265 . . . . 0.0 112.317 177.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -51.55 125.55 28.09 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 125.371 1.468 . . . . 0.0 111.052 164.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -39.41 -23.98 0.1 Allowed 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 124.806 3.671 . . . . 0.0 116.775 168.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.5 p -46.11 -42.02 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 120.494 1.497 . . . . 0.0 113.148 171.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.491 ' HB3' HMC1 ' A' ' 201' ' ' HEC . 8.2 m-20 -65.39 -33.77 76.73 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.171 -0.955 . . . . 0.0 112.537 177.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -55.97 -47.34 77.83 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 119.377 0.99 . . . . 0.0 109.178 171.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -56.09 -43.45 78.04 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.786 0.721 . . . . 0.0 110.356 -176.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.0 mt -63.02 -55.03 29.17 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.085 0.954 . . . . 0.0 111.008 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 23.3 tp -56.17 -43.23 78.18 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.482 0.713 . . . . 0.0 112.606 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.4 t -66.53 -44.45 82.42 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.382 1.473 . . . . 0.0 112.828 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -57.01 -46.98 81.93 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.596 -0.69 . . . . 0.0 111.22 169.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 74.4 m -65.55 -33.89 76.98 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 118.522 -0.751 . . . . 0.0 112.891 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.84 -50.78 70.89 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 119.708 1.14 . . . . 0.0 110.866 167.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.8 mt -53.0 -40.58 63.91 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 120.181 1.355 . . . . 0.0 112.038 175.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.5 t -60.8 -53.23 51.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 118.881 -0.58 . . . . 0.0 112.423 171.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.2 p -68.57 -42.09 78.77 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.601 1.091 . . . . 0.0 112.413 -175.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -55.35 -61.69 2.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 118.106 -0.949 . . . . 0.0 108.821 170.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -50.87 -38.66 50.74 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.851 1.205 . . . . 0.0 112.937 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.31 -23.26 57.28 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 117.522 2.415 . . . . 0.0 117.522 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -127.02 -41.55 1.79 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.72 1.146 . . . . 0.0 112.929 -173.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.421 HD11 ' HB1' ' A' ' 13' ' ' ALA . 3.7 tt -65.57 123.08 83.56 Favored Pre-proline 0 CA--C 1.545 0.761 0 N-CA-C 107.513 -1.292 . . . . 0.0 107.513 168.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.87 75.65 1.66 Allowed 'Trans proline' 0 CA--C 1.537 0.668 0 C-N-CA 123.057 2.505 . . . . 0.0 110.292 171.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.76 10.17 0.22 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.004 1.322 . . . . 0.0 112.672 174.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 42.67 25.78 0.05 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.751 2.42 . . . . 0.0 113.016 -164.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 21.2 p90 39.01 14.36 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.812 2.445 . . . . 0.0 116.564 -162.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.78 155.32 82.98 Favored Pre-proline 0 N--CA 1.472 0.658 0 CA-C-N 120.001 1.273 . . . . 0.0 111.869 -161.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.441 ' HA ' HG21 ' B' ' 33' ' ' VAL . 63.6 Cg_endo -63.02 -45.8 11.9 Favored 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 121.282 1.321 . . . . 0.0 110.855 175.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.79 -24.73 66.99 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.861 -1.149 . . . . 0.0 113.471 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.8 t -86.96 -37.47 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 CA-C-N 119.959 1.254 . . . . 0.0 112.721 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -66.98 -35.46 80.0 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 120.086 -1.634 . . . . 0.0 111.574 169.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.82 -53.51 57.36 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 118.766 -0.635 . . . . 0.0 110.424 169.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.2 p -58.91 -47.0 86.57 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.37 -44.05 95.88 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.511 -0.757 . . . . 0.0 111.774 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.26 -56.48 12.5 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 120.291 1.405 . . . . 0.0 111.855 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -33.53 70.32 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.127 0.421 . . . . 0.0 111.464 -177.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -66.91 -54.5 21.48 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 118.449 -0.786 . . . . 0.0 111.26 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.84 -37.21 70.96 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.692 0.678 . . . . 0.0 111.085 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.24 -30.51 71.15 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 171.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.5 m -81.34 -37.25 28.61 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 120.275 -1.516 . . . . 0.0 112.481 170.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.2 t -52.16 -50.98 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 119.363 0.983 . . . . 0.0 108.796 169.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.0 p -63.75 -48.79 75.56 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-O 117.05 -1.452 . . . . 0.0 113.025 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 52.3 m -51.53 -38.15 52.84 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 121.039 1.745 . . . . 0.0 112.158 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 58.6 t -71.11 -48.92 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 O-C-N 121.065 -1.022 . . . . 0.0 111.184 172.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -3.26 1.97 Allowed 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 44.1 p -126.37 3.46 6.99 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 127.276 2.23 . . . . 0.0 111.267 176.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.0 t -56.91 147.59 23.24 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.156 1.382 . . . . 0.0 111.429 171.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -128.51 104.32 7.62 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.283 1.433 . . . . 0.0 109.006 -171.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -68.68 -34.34 75.51 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 . . . . . 0 C--O 1.25 1.128 0 C-N-CA 124.058 0.943 . . . . 0.0 111.475 173.11 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.288 2.2 p . . . . . 0 N--CA 1.516 2.841 0 CA-C-O 117.93 -1.033 . . . . 0.0 113.041 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 35.62 80.72 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 127.759 2.424 . . . . 0.0 116.084 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.3 159.06 15.85 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.086 -1.009 . . . . 0.0 111.996 177.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.5 141.85 93.65 Favored Pre-proline 0 N--CA 1.478 0.971 0 CA-C-O 117.941 -1.028 . . . . 0.0 109.632 168.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -47.63 -43.85 27.24 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.453 3.435 . . . . 0.0 116.387 -175.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.5 -39.94 94.72 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.372 -0.83 . . . . 0.0 112.487 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.87 -44.25 66.76 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.653 176.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -47.7 65.3 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.531 1.132 . . . . 0.0 111.453 169.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.5 t -55.7 -52.12 64.95 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.858 0.753 . . . . 0.0 110.755 173.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.22 -49.72 73.3 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.532 HG23 ' CZ ' ' B' ' 130' ' ' TYR . 2.6 p -65.69 -55.51 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-N 119.644 1.111 . . . . 0.0 111.78 175.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -68.01 -36.13 79.47 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 118.93 0.786 . . . . 0.0 111.63 -169.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.69 94.42 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.143 0.883 . . . . 0.0 111.741 175.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.44 -39.54 88.94 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.617 -0.677 . . . . 0.0 110.515 173.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -22.03 58.73 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 166.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.87 -37.08 45.38 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.151 0.882 . . . . 0.0 113.162 173.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -88.05 -21.71 24.6 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.021 0.911 . . . . 0.0 113.378 175.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.96 135.56 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 124.613 1.165 . . . . 0.0 111.919 -173.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.13 87.0 7.18 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 90.1 t -53.79 -35.16 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 CA-C-N 119.58 1.082 . . . . 0.0 113.793 -168.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -63.0 -51.08 68.19 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.2 1.0 . . . . 0.0 112.568 172.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -86.14 -45.93 10.9 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.296 -0.878 . . . . 0.0 111.354 -170.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.68 -32.45 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-N 119.142 0.883 . . . . 0.0 110.882 169.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.93 -45.22 17.0 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 119.025 0.829 . . . . 0.0 111.941 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.45 -42.01 99.15 Favored Glycine 0 N--CA 1.468 0.795 0 CA-C-N 118.599 1.2 . . . . 0.0 112.585 170.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.56 -49.59 75.88 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.351 169.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.81 -48.45 25.24 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 121.074 1.761 . . . . 0.0 114.85 -172.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.9 tp -62.71 -46.96 85.69 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-O 117.823 -1.084 . . . . 0.0 109.248 172.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -48.18 -55.62 10.15 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 119.439 1.018 . . . . 0.0 111.573 171.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.428 ' O ' HG23 ' B' ' 34' ' ' VAL . 0.0 OUTLIER -46.93 -43.87 19.41 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 126.941 2.096 . . . . 0.0 111.31 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 tp -49.63 -49.94 45.02 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 120.53 1.513 . . . . 0.0 110.095 177.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.579 HD22 ' H ' ' B' ' 32' ' ' LEU . 1.9 mm? -68.84 -32.35 71.98 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.988 0.915 . . . . 0.0 111.771 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.441 HG21 ' HA ' ' A' ' 119' ' ' PRO . 0.9 OUTLIER -70.35 17.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 C-N-CA 124.476 1.11 . . . . 0.0 113.221 164.481 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 30' ' ' ARG . 2.3 t -111.49 17.51 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 119.084 -2.26 . . . . 0.0 111.167 166.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 2.8 t80 46.02 49.57 6.79 Favored Pre-proline 0 CA--C 1.555 1.169 0 O-C-N 120.817 -1.177 . . . . 0.0 112.23 -170.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -79.07 142.89 17.49 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 121.631 1.554 . . . . 0.0 109.265 -173.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -26.09 44.82 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.869 1.268 . . . . 0.0 113.031 172.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 23.0 p -57.11 -20.67 26.9 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 171.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -48.8 -26.78 2.57 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.396 1.078 . . . . 0.0 113.409 170.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.427 ' HA ' ' HE ' ' C' ' 92' ' ' ARG . 5.5 ptm180 -51.25 -31.94 22.61 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 121.22 1.827 . . . . 0.0 115.225 170.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.56 10.56 32.09 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.05 0.94 . . . . 0.0 112.164 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.54 -14.65 21.08 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 175.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -45.42 -31.53 1.73 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.66 1.184 . . . . 0.0 112.735 173.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -96.2 -31.2 13.08 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 170.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -61.43 -27.81 68.82 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 119.978 -1.701 . . . . 0.0 113.121 173.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.18 179.23 7.57 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.114 0.864 . . . . 0.0 113.812 -177.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 33.24 -108.09 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.377 1.871 . . . . 0.0 111.839 -167.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.52 HD12 ' HG ' ' B' ' 32' ' ' LEU . 8.8 tt 59.15 -18.93 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 127.686 2.395 . . . . 0.0 117.163 176.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 15.0 m -50.17 -21.51 1.34 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.466 1.906 . . . . 0.0 114.861 -175.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 4.7 p -132.98 157.93 77.12 Favored Pre-proline 0 CA--C 1.542 0.648 0 C-N-CA 125.641 1.576 . . . . 0.0 109.52 165.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.32 -46.41 31.51 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.696 2.264 . . . . 0.0 112.716 170.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -59.49 -41.39 89.74 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.146 -0.971 . . . . 0.0 112.16 176.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.28 -37.48 80.62 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.144 0.578 . . . . 0.0 111.819 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.72 -36.63 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 120.186 1.357 . . . . 0.0 113.25 177.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -32.06 68.83 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.928 0.785 . . . . 0.0 112.764 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.51 -6.79 62.31 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.413 1.006 . . . . 0.0 115.435 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -65.48 120.87 71.62 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-N 119.075 1.437 . . . . 0.0 112.432 -175.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -60.55 -32.44 93.51 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.385 2.723 . . . . 0.0 113.614 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.52 -33.5 66.94 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.659 -1.276 . . . . 0.0 112.84 173.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.11 -36.08 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 119.911 1.232 . . . . 0.0 110.948 171.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -59.8 -52.19 66.5 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 119.263 0.938 . . . . 0.0 111.897 167.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.5 98.63 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -37.29 77.95 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.42 -1.425 . . . . 0.0 110.971 172.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.39 -45.38 75.71 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 126.965 2.222 . . . . 0.0 113.945 171.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -57.33 -43.39 83.32 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.712 0.805 . . . . 0.0 112.393 169.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -53.63 33.08 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.843 0.857 . . . . 0.0 112.288 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.421 HG23 ' C2B' ' B' ' 201' ' ' HEC . 7.8 p -55.02 -43.65 70.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 119.197 0.908 . . . . 0.0 111.804 174.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.413 ' O ' HD23 ' B' ' 68' ' ' LEU . 5.1 tt -72.52 -36.37 68.31 Favored 'General case' 0 C--O 1.223 -0.304 0 O-C-N 120.937 -1.102 . . . . 0.0 113.18 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.64 -35.41 45.72 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 124.895 1.236 . . . . 0.0 112.6 170.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.72 -45.77 67.46 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 117.919 0.86 . . . . 0.0 112.479 169.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -58.58 -39.45 80.38 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 120.17 -1.581 . . . . 0.0 112.865 173.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 89.0 p -73.76 -39.73 64.0 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.613 -1.305 . . . . 0.0 113.276 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -54.74 -32.43 59.78 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.401 1.0 . . . . 0.0 111.309 164.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.9 -63.27 5.22 Favored Glycine 0 C--N 1.341 0.81 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 172.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mt -55.52 -21.57 17.4 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 177.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.55 -27.42 31.65 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.404 1.482 . . . . 0.0 114.552 171.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -147.61 52.09 1.05 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.951 1.7 . . . . 0.0 112.661 -171.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.6 -20.19 64.49 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.411 -1.43 . . . . 0.0 114.32 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -82.22 -9.12 59.61 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.176 1.791 . . . . 0.0 113.828 172.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -130.85 29.04 4.78 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.355 1.862 . . . . 0.0 112.133 -172.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.8 mt -58.09 -17.5 18.54 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 178.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -0.13 29.61 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 120.388 1.449 . . . . 0.0 113.778 174.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.09 -32.98 4.45 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.34 1.448 . . . . 0.0 114.282 -177.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.67 -16.25 21.04 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.137 0.975 . . . . 0.0 113.302 175.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -107.37 3.5 25.36 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.813 0.845 . . . . 0.0 113.164 -169.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.31 -34.5 72.4 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.4 p -65.74 -42.2 91.25 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.951 -1.093 . . . . 0.0 111.969 169.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 19.2 mt -69.57 -38.53 77.42 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 123.459 0.703 . . . . 0.0 111.966 177.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 84.2 p -67.08 -40.59 87.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 120.198 1.363 . . . . 0.0 111.566 176.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -61.22 -42.04 97.91 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.423 0.689 . . . . 0.0 112.071 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 30.5 tp -57.49 -60.04 4.26 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.118 -0.989 . . . . 0.0 111.71 170.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -74.25 18.63 0.14 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.123 1.369 . . . . 0.0 114.071 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 48.8 t -131.52 -87.66 0.47 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.173 1.389 . . . . 0.0 108.837 164.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.66 -19.89 29.74 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 -170.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.16 -42.33 6.74 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.885 0.874 . . . . 0.0 112.472 169.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.42 67.5 1.13 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.433 1.893 . . . . 0.0 112.082 -173.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.649 ' H ' ' CD2' ' B' ' 97' ' ' HIS . 0.0 OUTLIER -59.77 33.11 0.01 OUTLIER 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 128.427 2.691 . . . . 0.0 114.746 162.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 2.1 m -47.17 146.03 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 120.543 -1.348 . . . . 0.0 111.324 167.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.24 138.99 66.24 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 123.755 0.822 . . . . 0.0 111.677 -174.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -50.7 -34.42 43.86 Favored 'Trans proline' 0 CA--C 1.536 0.59 0 C-N-CA 123.152 2.568 . . . . 0.0 115.442 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -50.83 -35.97 35.08 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.693 -1.254 . . . . 0.0 112.782 173.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -65.72 -35.79 81.75 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 118.25 -0.881 . . . . 0.0 113.271 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . 0.505 ' CD1' ' HB1' ' B' ' 138' ' ' ALA . 0.2 OUTLIER -56.76 -48.18 78.41 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.507 1.049 . . . . 0.0 109.106 168.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . 0.413 ' N ' ' CD1' ' B' ' 103' ' ' PHE . 20.0 ttm-85 -66.09 -45.19 82.08 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 118.839 -0.6 . . . . 0.0 109.4 -171.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 7.0 mp -53.69 -44.68 69.96 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 118.19 -0.91 . . . . 0.0 112.169 173.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.06 -48.26 79.44 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.041 1.291 . . . . 0.0 111.126 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . 0.421 ' HA3' HG11 ' B' ' 134' ' ' VAL . . . -54.85 -53.59 38.71 Favored Glycine 0 CA--C 1.536 1.402 0 O-C-N 121.527 -0.733 . . . . 0.0 114.289 173.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -56.03 -36.74 68.34 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.168 1.787 . . . . 0.0 112.308 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.21 -42.24 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 O-C-N 120.643 -1.285 . . . . 0.0 111.811 176.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 47.2 tp -56.56 -50.16 72.71 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.208 0.603 . . . . 0.0 109.737 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.503 HG21 HE22 ' B' ' 131' ' ' GLN . 26.1 m -57.41 -33.23 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 176.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 97.4 m -67.4 -39.1 85.55 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.36 0.982 . . . . 0.0 112.199 175.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -68.84 -43.93 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 120.74 -1.225 . . . . 0.0 111.841 178.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -41.49 97.5 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.983 1.265 . . . . 0.0 109.816 175.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.17 -37.14 66.64 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 118.752 -0.642 . . . . 0.0 112.486 173.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -72.93 -58.86 3.02 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.028 0.831 . . . . 0.0 113.001 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -67.61 -22.85 65.33 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -173.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -124.28 39.46 3.96 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.319 1.848 . . . . 0.0 110.54 176.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -49.81 163.18 0.71 Allowed Glycine 0 CA--C 1.54 1.611 0 C-N-CA 123.648 0.642 . . . . 0.0 111.831 157.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt 61.88 -24.26 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 126.028 1.731 . . . . 0.0 115.373 -158.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -116.84 -3.74 11.64 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.581 1.152 . . . . 0.0 113.439 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . 0.41 ' O ' ' CG ' ' B' ' 122' ' ' PHE . 0.8 OUTLIER -68.57 39.72 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 127.911 2.484 . . . . 0.0 115.131 179.583 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.41 144.5 1.68 Allowed Pre-proline 0 N--CA 1.487 1.403 0 O-C-N 120.707 -1.245 . . . . 0.0 113.389 -166.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -46.32 -50.29 10.4 Favored 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 122.487 2.125 . . . . 0.0 115.507 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -64.39 -23.88 64.87 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.481 2.121 . . . . 0.0 115.595 172.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.43 -43.54 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 120.905 1.684 . . . . 0.0 112.369 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -69.66 -38.77 77.23 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 120.203 1.365 . . . . 0.0 112.335 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.13 95.59 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.544 1.065 . . . . 0.0 111.575 172.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.75 -48.64 80.48 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.738 0.815 . . . . 0.0 111.139 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.532 ' CZ ' HG23 ' B' ' 11' ' ' VAL . 33.6 m-85 -55.56 -49.9 71.48 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 118.57 -0.729 . . . . 0.0 112.051 168.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.503 HE22 HG21 ' B' ' 111' ' ' VAL . 1.2 mp0 -54.76 -37.17 65.66 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.858 1.208 . . . . 0.0 113.2 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -67.92 -42.15 81.52 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.76 1.618 . . . . 0.0 112.658 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.49 -36.86 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.867 -1.145 . . . . 0.0 112.763 176.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.421 HG11 ' HA3' ' B' ' 107' ' ' GLY . 32.2 t -62.33 -49.5 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.933 1.693 . . . . 0.0 110.699 172.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.31 -50.25 74.72 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.919 0.888 . . . . 0.0 110.917 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.72 -52.5 50.27 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-N 118.779 0.718 . . . . 0.0 113.072 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -41.65 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 118.381 1.091 . . . . 0.0 110.485 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . 0.505 ' HB1' ' CD1' ' B' ' 103' ' ' PHE . . . -72.86 -36.72 67.46 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -178.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -60.56 -32.43 71.51 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.288 0.949 . . . . 0.0 110.899 168.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -71.18 -37.78 72.15 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 169.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 7.4 mt -64.67 -37.11 86.46 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.308 -1.495 . . . . 0.0 111.347 172.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.48 -8.71 35.68 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.733 1.213 . . . . 0.0 113.675 168.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -66.87 -26.44 66.89 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 119.545 -1.972 . . . . 0.0 113.907 -173.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -80.37 -17.85 50.73 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 121.177 -0.952 . . . . 0.0 113.102 168.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.16 -22.82 22.64 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.873 2.069 . . . . 0.0 112.995 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.372 0 C-N-CA 128.969 2.908 . . . . 0.0 117.008 -172.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.251 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.694 HD13 HG22 ' C' ' 73' ' ' VAL . 1.4 mp -125.57 -134.58 0.26 Allowed 'General case' 0 CA--C 1.56 1.333 0 CA-C-N 122.685 2.493 . . . . 0.0 110.198 -171.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 46.4 m 125.06 -30.12 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.921 0 C-N-CA 130.871 3.669 . . . . 0.0 117.073 174.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -57.74 -173.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 124.843 3.695 . . . . 0.0 116.719 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.3 -28.48 2.01 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.617 1.567 . . . . 0.0 114.637 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -57.46 -45.56 84.65 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.333 -0.855 . . . . 0.0 112.961 169.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.46 -49.62 64.27 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 120.358 1.435 . . . . 0.0 109.896 171.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 49.7 m -57.41 -43.5 83.8 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 118.858 0.754 . . . . 0.0 111.252 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -63.71 -37.68 88.25 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.563 0.745 . . . . 0.0 112.387 173.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.31 -47.17 93.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.617 1.099 . . . . 0.0 111.492 171.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -43.98 94.28 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 119.647 1.112 . . . . 0.0 110.843 -179.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.06 -56.59 20.11 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.892 0.877 . . . . 0.0 110.487 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . 0.426 ' HB1' HD11 ' C' ' 113' ' ' LEU . . . -53.57 -52.52 59.49 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.361 1.064 . . . . 0.0 112.066 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -65.76 -27.07 68.03 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.01 -37.98 95.32 Favored Glycine 0 CA--C 1.534 1.273 0 O-C-N 121.181 -0.949 . . . . 0.0 112.879 168.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -67.53 -40.67 85.04 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 117.96 0.88 . . . . 0.0 111.212 169.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 97.0 t -60.1 -48.25 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.227 1.011 . . . . 0.0 112.392 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 35.7 -119.21 0.41 Allowed Glycine 0 CA--C 1.54 1.641 0 C-N-CA 125.064 1.316 . . . . 0.0 114.977 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.09 -25.31 66.16 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -68.32 -14.51 63.05 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.465 1.106 . . . . 0.0 113.14 178.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.533 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -42.16 -49.0 4.9 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.911 1.285 . . . . 0.0 114.014 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.13 -32.03 66.02 Favored Glycine 0 C--N 1.339 0.715 0 CA-C-O 118.785 -1.008 . . . . 0.0 113.69 -177.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -41.67 96.95 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.446 1.123 . . . . 0.0 109.952 172.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 9.8 m-30 -67.24 -39.86 86.22 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 120.794 -1.191 . . . . 0.0 113.015 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.65 -48.26 85.52 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-N 118.717 0.689 . . . . 0.0 112.201 172.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.65 -51.65 67.9 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.244 1.018 . . . . 0.0 111.685 176.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.08 -25.21 66.12 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.83 0.852 . . . . 0.0 112.935 179.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.81 -43.42 58.85 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.405 1.002 . . . . 0.0 111.787 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 27.6 mt -58.71 -47.79 83.34 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.762 0.825 . . . . 0.0 111.061 174.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -59.65 -48.32 82.12 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 119.202 -0.427 . . . . 0.0 111.57 177.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.31 -47.23 69.43 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.912 0.885 . . . . 0.0 113.006 172.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' MET . . . . . 0.596 ' HG2' HG21 ' C' ' 39' ' ' THR . 39.6 ttp -59.03 -42.83 91.13 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.472 0.578 . . . . 0.0 112.029 176.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -59.29 -56.01 27.52 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.868 0.758 . . . . 0.0 111.794 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -73.05 -23.79 60.62 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 83.9 p -82.65 -29.5 29.97 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.829 1.195 . . . . 0.0 113.592 172.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' PHE . . . . . 0.494 ' O ' HG22 ' C' ' 39' ' ' THR . 14.7 m-85 -140.4 67.54 31.43 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 126.185 1.794 . . . . 0.0 110.87 -175.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -61.57 -22.29 74.09 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.933 2.422 . . . . 0.0 114.194 -171.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 7.7 p -55.58 -33.05 63.55 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.355 1.462 . . . . 0.0 113.397 168.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . 0.596 HG21 ' HG2' ' C' ' 32' ' ' MET . 3.8 t -56.29 -30.65 62.79 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.445 1.098 . . . . 0.0 113.701 174.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -59.59 -31.1 69.14 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.213 1.405 . . . . 0.0 113.048 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 4.0 t -61.1 -24.3 66.14 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' TYR . . . . . 0.538 ' CE1' ' HA ' ' C' ' 93' ' ' VAL . 0.1 OUTLIER -66.35 -15.2 63.08 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 174.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -146.48 84.33 7.83 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 124.332 1.053 . . . . 0.0 111.84 175.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -73.98 44.36 0.97 Allowed 'Trans proline' 0 CA--C 1.554 1.499 1 C-N-CA 125.401 4.067 . . . . 0.0 114.268 -174.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -160.64 91.21 0.89 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.798 2.439 . . . . 0.0 108.349 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -176.71 116.2 0.11 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.985 1.314 . . . . 0.0 110.293 167.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . 0.489 ' HB2' HE22 ' C' ' 54' ' ' GLN . 7.2 m-20 -70.09 121.19 17.0 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.281 -0.887 . . . . 0.0 109.677 164.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 61.6 mt -106.72 25.81 10.78 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.6 1.16 . . . . 0.0 112.143 -175.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 75.1 p -57.05 153.39 11.53 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.61 1.164 . . . . 0.0 112.305 175.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -59.43 122.21 13.41 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.642 -0.661 . . . . 0.0 110.638 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.96 18.41 72.49 Favored Glycine 0 CA--C 1.541 1.702 0 CA-C-O 118.803 -0.999 . . . . 0.0 114.969 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 12.0 t -47.06 123.07 4.93 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.017 1.408 . . . . 0.0 113.623 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.6 -18.03 61.35 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.329 1.052 . . . . 0.0 113.624 175.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . 0.489 HE22 ' HB2' ' C' ' 47' ' ' ASP . 0.0 OUTLIER -89.61 -41.66 11.84 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.437 1.017 . . . . 0.0 111.708 173.464 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.01 -38.46 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 O-C-N 121.459 -0.776 . . . . 0.0 111.547 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -41.69 97.94 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 119.445 1.02 . . . . 0.0 113.507 171.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.44 -42.35 49.01 Favored Glycine 0 N--CA 1.474 1.21 0 C-N-CA 124.006 0.812 . . . . 0.0 112.357 -177.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -61.49 -44.26 97.4 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.891 -0.77 . . . . 0.0 110.783 168.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -49.82 -52.84 24.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 121.13 -0.981 . . . . 0.0 113.668 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -55.62 -35.6 66.06 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 118.802 1.301 . . . . 0.0 112.946 174.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -70.97 -49.71 42.45 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.568 1.147 . . . . 0.0 113.602 174.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 49.1 t -54.74 -40.95 53.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 O-C-N 120.909 -1.119 . . . . 0.0 110.653 171.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . 0.533 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -60.42 -50.15 74.73 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 173.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -34.67 75.17 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 120.217 1.371 . . . . 0.0 111.775 177.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.75 98.02 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 170.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.59 -43.2 97.65 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 118.02 -0.99 . . . . 0.0 111.213 171.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 27.7 m -56.33 -49.14 75.2 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 120.58 1.536 . . . . 0.0 111.91 170.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -29.69 70.15 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.578 1.535 . . . . 0.0 112.534 178.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.58 -50.48 51.4 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 118.954 0.797 . . . . 0.0 110.98 170.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 83.9 t -58.05 -43.23 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 120.005 1.275 . . . . 0.0 111.382 177.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.05 -24.64 68.0 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.883 1.273 . . . . 0.0 113.735 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -138.86 34.01 2.18 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 124.289 1.035 . . . . 0.0 111.227 -173.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.694 HG22 HD13 ' C' ' 2' ' ' LEU . 5.9 p -57.62 -20.42 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 O-C-N 120.628 -1.295 . . . . 0.0 113.644 -167.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -111.48 -0.73 16.13 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.54 1.536 . . . . 0.0 114.253 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.71 23.05 5.03 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 129.475 3.11 . . . . 0.0 110.18 -172.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -108.81 29.4 0.07 OUTLIER Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 125.842 1.657 . . . . 0.0 114.737 -178.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -64.62 -22.79 64.38 Favored 'Trans proline' 0 C--N 1.356 0.964 0 CA-C-N 123.613 2.326 . . . . 0.0 113.248 -174.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.91 6.41 2.42 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.354 1.462 . . . . 0.0 113.5 175.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.19 -27.29 66.27 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.186 -1.571 . . . . 0.0 113.17 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 28.5 mt -92.83 5.24 51.94 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.181 0.992 . . . . 0.0 112.002 173.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 41.0 m -60.73 -36.99 80.25 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.166 1.348 . . . . 0.0 113.792 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.32 70.28 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.956 1.253 . . . . 0.0 112.339 173.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.88 -44.49 48.6 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.779 0.831 . . . . 0.0 110.02 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 4.7 t -54.52 -44.01 72.39 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.309 0.504 . . . . 0.0 111.579 172.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -60.26 -42.22 94.87 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.606 -1.309 . . . . 0.0 112.565 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tp -59.19 -59.17 5.88 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.653 -1.279 . . . . 0.0 111.377 170.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -69.95 -28.41 65.54 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.201 -0.937 . . . . 0.0 113.264 -174.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.19 -14.1 18.64 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.628 1.571 . . . . 0.0 114.105 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -125.02 -48.92 1.73 Allowed 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.663 1.12 . . . . 0.0 113.59 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -67.87 -34.61 77.01 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 119.915 1.234 . . . . 0.0 112.26 174.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 20.9 mt -118.86 -26.15 6.12 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 -177.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . 0.427 ' HE ' ' HA ' ' B' ' 40' ' ' ARG 0.324 1.4 mtt-85 41.93 53.42 4.15 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 127.792 2.437 . . . . 0.0 114.093 -170.753 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . 0.538 ' HA ' ' CE1' ' C' ' 42' ' ' TYR . 71.6 t -77.11 125.96 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 127.271 2.228 . . . . 0.0 112.269 177.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -51.54 125.57 28.06 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 125.399 1.48 . . . . 0.0 110.941 164.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -39.4 -24.07 0.1 Allowed 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 124.761 3.641 . . . . 0.0 116.796 168.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 7.6 p -46.0 -41.99 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 120.576 1.535 . . . . 0.0 113.158 171.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . 0.5 ' HB3' HMC1 ' C' ' 201' ' ' HEC . 8.1 m-20 -65.38 -33.87 76.98 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.237 -0.914 . . . . 0.0 112.511 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -56.0 -47.53 77.59 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 119.272 0.942 . . . . 0.0 109.083 171.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -55.94 -43.44 77.46 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.876 0.762 . . . . 0.0 110.336 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.02 -55.05 29.03 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.216 1.006 . . . . 0.0 110.975 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 23.2 tp -56.27 -43.24 78.58 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.454 0.702 . . . . 0.0 112.572 175.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 43.7 t -66.5 -44.5 82.43 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.393 1.477 . . . . 0.0 112.832 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -56.88 -46.99 81.49 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.597 -0.69 . . . . 0.0 111.293 169.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 74.7 m -65.6 -33.84 76.83 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.73 -51.1 69.74 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 119.682 1.128 . . . . 0.0 110.93 167.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 31.6 mt -52.66 -40.67 63.09 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.226 1.375 . . . . 0.0 112.167 175.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 34.3 t -60.85 -53.13 53.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 118.807 -0.616 . . . . 0.0 112.449 171.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 40.3 p -68.58 -42.19 78.63 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.707 1.14 . . . . 0.0 112.449 -175.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 8.1 mt -55.25 -61.7 2.16 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 118.181 -0.914 . . . . 0.0 108.867 170.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -50.74 -38.86 50.09 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.88 1.218 . . . . 0.0 112.921 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.27 -23.17 57.4 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 117.553 2.427 . . . . 0.0 117.553 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -126.97 -41.43 1.8 Allowed 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.626 1.103 . . . . 0.0 113.1 -173.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . 0.426 HD11 ' HB1' ' C' ' 13' ' ' ALA . 3.7 tt -65.68 122.95 83.2 Favored Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 168.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -70.87 75.68 1.65 Allowed 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.178 2.585 . . . . 0.0 110.237 171.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.77 10.2 0.22 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.928 1.291 . . . . 0.0 112.657 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 42.69 25.64 0.05 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.657 2.383 . . . . 0.0 113.162 -164.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 21.1 p90 39.02 14.52 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.831 2.452 . . . . 0.0 116.517 -162.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.78 155.19 83.47 Favored Pre-proline 0 N--CA 1.471 0.594 0 CA-C-N 120.053 1.297 . . . . 0.0 111.963 -161.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 119' ' ' PRO . . . . . 0.47 ' HA ' HG21 ' D' ' 33' ' ' VAL . 63.5 Cg_endo -63.0 -45.77 12.01 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 121.26 1.307 . . . . 0.0 110.907 175.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.65 -24.85 67.13 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 120.916 -1.115 . . . . 0.0 113.465 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 47.8 t -87.04 -37.25 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 CA-C-N 119.922 1.237 . . . . 0.0 112.662 178.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -67.11 -35.55 80.01 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 120.045 -1.66 . . . . 0.0 111.451 169.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.86 -53.65 55.85 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.335 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 54.0 p -58.67 -46.99 85.98 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 113.35 0.871 . . . . 0.0 113.35 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.4 -44.19 95.41 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.519 -0.753 . . . . 0.0 111.812 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -64.98 -56.59 12.28 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 120.198 1.363 . . . . 0.0 111.878 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -33.32 70.34 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.057 0.39 . . . . 0.0 111.417 -177.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -66.93 -54.56 20.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 118.446 -0.787 . . . . 0.0 111.268 174.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -37.33 70.82 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.717 0.69 . . . . 0.0 111.114 177.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.25 -30.61 71.23 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 171.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 32.3 m -81.37 -36.97 28.97 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.386 -1.446 . . . . 0.0 112.448 171.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 47.4 t -52.45 -50.81 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 119.452 1.024 . . . . 0.0 108.732 169.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 84.0 p -63.78 -48.84 75.29 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 117.007 -1.473 . . . . 0.0 112.98 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 52.5 m -51.56 -38.07 52.57 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 121.072 1.76 . . . . 0.0 112.217 177.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 58.8 t -71.08 -48.9 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 O-C-N 121.052 -1.03 . . . . 0.0 111.22 172.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -3.16 2.04 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.012 1.325 . . . . 0.0 114.486 177.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 44.2 p -126.33 3.33 7.03 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.295 2.238 . . . . 0.0 111.343 176.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 22.9 t -56.64 147.61 22.08 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.157 1.383 . . . . 0.0 111.505 171.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -128.65 104.27 7.56 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.325 1.45 . . . . 0.0 108.989 -171.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -68.77 -34.24 75.23 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 176.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 . . . . . 0 C--O 1.249 1.074 0 C-N-CA 124.2 1.0 . . . . 0.0 111.403 173.09 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.29 2.2 p . . . . . 0 N--CA 1.516 2.85 0 CA-C-O 118.057 -0.973 . . . . 0.0 113.025 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 35.68 80.69 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 127.681 2.392 . . . . 0.0 116.103 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 159.03 16.0 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 121.227 -0.921 . . . . 0.0 112.053 177.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.47 141.86 93.73 Favored Pre-proline 0 N--CA 1.478 0.97 0 CA-C-O 117.919 -1.039 . . . . 0.0 109.633 168.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -47.69 -43.85 27.56 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 124.486 3.457 . . . . 0.0 116.35 -175.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.53 -39.99 94.78 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.348 -0.845 . . . . 0.0 112.461 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.76 -44.26 67.1 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 118.403 -0.808 . . . . 0.0 110.594 176.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -47.9 65.37 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.534 1.134 . . . . 0.0 111.469 169.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 14.8 t -55.51 -52.04 65.0 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.881 0.764 . . . . 0.0 110.828 173.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.16 -49.76 73.08 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' VAL . . . . . 0.523 HG23 ' CZ ' ' D' ' 130' ' ' TYR . 2.6 p -65.69 -55.41 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 119.547 1.067 . . . . 0.0 111.786 175.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -68.12 -36.14 79.25 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.938 0.79 . . . . 0.0 111.712 -169.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.58 94.12 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.978 0.808 . . . . 0.0 111.701 175.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.59 -39.35 88.37 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.639 -0.663 . . . . 0.0 110.51 173.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -21.95 57.68 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 166.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.14 -37.12 43.74 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.216 0.912 . . . . 0.0 113.047 174.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt -87.97 -21.68 24.72 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 118.021 0.91 . . . . 0.0 113.347 175.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.97 135.67 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 124.579 1.152 . . . . 0.0 111.826 -173.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.16 87.0 7.18 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 95.6 t -53.91 -35.05 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 CA-C-N 119.683 1.129 . . . . 0.0 113.778 -167.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -63.04 -50.8 69.24 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.196 0.998 . . . . 0.0 112.68 172.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -86.45 -45.97 10.64 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.256 -0.902 . . . . 0.0 111.314 -170.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -32.58 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 119.099 0.863 . . . . 0.0 110.852 169.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.88 -45.25 17.13 Favored Glycine 0 C--N 1.34 0.764 0 CA-C-N 119.102 0.865 . . . . 0.0 111.982 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.46 -41.86 99.17 Favored Glycine 0 N--CA 1.467 0.725 0 CA-C-N 118.587 1.194 . . . . 0.0 112.642 170.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.73 -49.65 75.85 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.406 169.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.68 -48.39 26.36 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 121.023 1.738 . . . . 0.0 114.833 -173.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 44.3 tp -63.06 -46.76 85.98 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 117.599 -1.191 . . . . 0.0 109.174 172.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -48.26 -55.52 10.38 Favored Glycine 0 C--N 1.336 0.569 0 CA-C-N 119.591 1.087 . . . . 0.0 111.612 171.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' ARG . . . . . 0.432 ' O ' HG23 ' D' ' 34' ' ' VAL . 0.0 OUTLIER -47.03 -43.56 19.75 Favored 'General case' 0 C--O 1.215 -0.715 0 C-N-CA 126.949 2.1 . . . . 0.0 111.37 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 tp -49.97 -49.79 49.1 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.628 1.558 . . . . 0.0 110.065 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . 0.584 HD22 ' H ' ' D' ' 32' ' ' LEU . 1.9 mm? -68.95 -32.37 71.93 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.123 0.969 . . . . 0.0 111.641 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' VAL . . . . . 0.47 HG21 ' HA ' ' C' ' 119' ' ' PRO . 0.9 OUTLIER -70.47 17.79 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.34 1.056 . . . . 0.0 113.19 164.56 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' VAL . . . . . 0.432 HG23 ' O ' ' D' ' 30' ' ' ARG . 2.4 t -111.49 17.48 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 O-C-N 119.243 -2.161 . . . . 0.0 111.168 166.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 2.8 t80 46.22 49.38 6.61 Favored Pre-proline 0 CA--C 1.554 1.132 0 O-C-N 120.876 -1.14 . . . . 0.0 112.22 -170.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -79.04 142.93 17.58 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 121.606 1.537 . . . . 0.0 109.302 -173.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -26.02 45.75 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.79 1.236 . . . . 0.0 113.039 172.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 23.1 p -57.06 -20.69 26.29 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 171.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -48.8 -26.81 2.58 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.25 1.02 . . . . 0.0 113.472 170.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . 0.424 ' HA ' ' HE ' ' A' ' 92' ' ' ARG . 5.5 ptm180 -51.18 -31.97 21.86 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 121.092 1.769 . . . . 0.0 115.304 170.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.47 10.57 31.83 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.955 0.902 . . . . 0.0 112.31 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -14.58 20.77 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 175.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -45.49 -31.57 1.82 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.613 1.165 . . . . 0.0 112.683 173.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -96.17 -31.12 13.13 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 170.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -61.42 -27.81 68.81 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 120.816 1.644 . . . . 0.0 113.182 173.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.19 179.13 7.5 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 123.98 0.8 . . . . 0.0 113.842 -177.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 33.34 -108.17 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.396 1.878 . . . . 0.0 111.796 -167.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 48' ' ' LEU . . . . . 0.529 HD12 ' HG ' ' D' ' 32' ' ' LEU . 8.9 tt 59.26 -18.92 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.611 2.365 . . . . 0.0 117.169 176.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 14.9 m -50.2 -21.64 1.41 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.456 1.902 . . . . 0.0 114.904 -175.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 4.7 p -132.64 158.03 76.79 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 125.691 1.596 . . . . 0.0 109.705 164.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.42 -46.5 31.11 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.803 2.335 . . . . 0.0 112.651 170.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -59.35 -41.56 89.48 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.215 -0.928 . . . . 0.0 112.232 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.51 80.13 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.077 0.551 . . . . 0.0 111.943 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.7 -36.7 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-N 119.995 1.27 . . . . 0.0 113.122 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -31.99 68.64 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.102 0.865 . . . . 0.0 112.725 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.63 -6.56 62.3 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.446 1.022 . . . . 0.0 115.477 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -65.67 120.91 72.43 Favored Pre-proline 0 CA--C 1.548 0.897 0 CA-C-N 119.147 1.474 . . . . 0.0 112.394 -175.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -60.63 -32.41 93.28 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.394 2.73 . . . . 0.0 113.634 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.51 -33.38 66.87 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.617 -1.302 . . . . 0.0 112.888 173.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.11 -36.13 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 119.95 1.25 . . . . 0.0 111.021 171.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -59.91 -52.12 66.8 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.127 0.876 . . . . 0.0 111.868 167.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.84 97.8 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.06 -37.33 78.46 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.41 -1.431 . . . . 0.0 110.973 172.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.43 -45.55 75.57 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 126.981 2.229 . . . . 0.0 113.894 171.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -57.09 -43.52 82.26 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.692 0.797 . . . . 0.0 112.353 169.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -53.59 34.34 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.769 0.827 . . . . 0.0 112.297 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . 0.421 HG23 ' C2B' ' D' ' 201' ' ' HEC . 7.6 p -55.19 -43.47 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 119.154 0.888 . . . . 0.0 111.75 174.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . 0.401 ' O ' HD23 ' D' ' 68' ' ' LEU . 5.1 tt -72.57 -36.51 68.21 Favored 'General case' 0 C--O 1.224 -0.241 0 O-C-N 120.852 -1.155 . . . . 0.0 113.107 177.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.58 -35.66 45.91 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 125.054 1.312 . . . . 0.0 112.454 170.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.37 -45.93 68.18 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 117.987 0.893 . . . . 0.0 112.451 169.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -58.5 -39.52 80.28 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.189 -1.569 . . . . 0.0 112.976 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 88.7 p -73.65 -39.85 64.18 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.637 -1.29 . . . . 0.0 113.299 175.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -54.53 -32.51 58.36 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.422 1.01 . . . . 0.0 111.361 164.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.92 -63.21 5.28 Favored Glycine 0 C--N 1.339 0.74 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 172.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mt -55.72 -21.44 18.69 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.55 -27.55 31.56 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.385 1.474 . . . . 0.0 114.505 171.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -147.53 52.09 1.06 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.044 1.737 . . . . 0.0 112.791 -171.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.43 -20.3 64.37 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 120.373 -1.454 . . . . 0.0 114.25 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -82.37 -9.09 59.59 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.196 1.798 . . . . 0.0 113.775 172.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -130.92 29.12 4.76 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.378 1.871 . . . . 0.0 112.134 -172.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 83.1 mt -58.23 -17.3 18.15 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.88 -0.06 29.58 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 120.385 1.448 . . . . 0.0 113.709 174.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.09 -33.34 4.33 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.276 1.417 . . . . 0.0 114.188 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.15 -16.73 21.32 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.132 0.973 . . . . 0.0 113.305 175.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -107.0 3.45 26.03 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.843 0.857 . . . . 0.0 113.162 -169.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.23 -34.53 72.3 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -175.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 4.1 p -65.88 -42.12 90.72 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 120.995 -1.066 . . . . 0.0 111.855 169.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 19.2 mt -69.71 -38.36 76.9 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 123.447 0.699 . . . . 0.0 111.947 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -67.19 -40.45 86.52 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 120.2 1.364 . . . . 0.0 111.647 176.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -61.32 -42.06 98.04 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.313 0.645 . . . . 0.0 112.083 172.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 31.1 tp -57.29 -60.12 4.1 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.056 -1.028 . . . . 0.0 111.797 170.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -74.38 18.74 0.14 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.103 1.361 . . . . 0.0 114.076 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 48.8 t -131.54 -87.63 0.47 Allowed 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.164 1.386 . . . . 0.0 108.904 164.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.65 -19.91 29.85 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.729 1.752 . . . . 0.0 115.729 -170.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.16 -42.17 6.81 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.901 0.88 . . . . 0.0 112.58 169.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.55 67.71 1.12 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.3 1.84 . . . . 0.0 111.973 -173.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 97' ' ' HIS . . . . . 0.648 ' H ' ' CD2' ' D' ' 97' ' ' HIS . 0.0 OUTLIER -59.8 32.99 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 128.455 2.702 . . . . 0.0 114.802 162.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 2.0 m -47.22 146.01 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 O-C-N 120.506 -1.371 . . . . 0.0 111.267 167.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.19 138.95 65.86 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 123.807 0.843 . . . . 0.0 111.596 -174.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -50.84 -34.23 44.3 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.127 2.551 . . . . 0.0 115.395 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -50.79 -36.06 35.09 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.811 -1.181 . . . . 0.0 112.724 173.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -65.76 -35.88 81.97 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 118.288 -0.863 . . . . 0.0 113.237 177.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 103' ' ' PHE . . . . . 0.508 ' CD1' ' HB1' ' D' ' 138' ' ' ALA . 0.1 OUTLIER -56.66 -48.2 78.12 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.544 1.065 . . . . 0.0 109.096 168.839 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 104' ' ' ARG . . . . . 0.416 ' N ' ' CD1' ' D' ' 103' ' ' PHE . 20.0 ttm-85 -66.3 -44.92 82.12 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-O 118.597 -0.716 . . . . 0.0 109.344 -171.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 7.0 mp -53.74 -44.57 70.04 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.983 0.913 . . . . 0.0 112.188 173.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.34 -48.01 79.78 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.933 1.242 . . . . 0.0 111.149 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 107' ' ' GLY . . . . . 0.436 ' HA3' HG11 ' D' ' 134' ' ' VAL . . . -55.05 -53.32 41.0 Favored Glycine 0 CA--C 1.536 1.372 0 O-C-N 121.551 -0.718 . . . . 0.0 114.326 173.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -56.12 -36.79 68.62 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.39 1.876 . . . . 0.0 112.403 174.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.3 -42.18 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 O-C-N 120.709 -1.244 . . . . 0.0 111.917 176.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 47.7 tp -56.43 -50.12 72.59 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.28 0.632 . . . . 0.0 109.891 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 111' ' ' VAL . . . . . 0.492 HG21 HE22 ' D' ' 131' ' ' GLN . 26.4 m -57.54 -33.27 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 176.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 97.2 m -67.28 -39.16 86.01 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.26 0.937 . . . . 0.0 112.249 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -68.84 -43.77 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 O-C-N 120.801 -1.187 . . . . 0.0 112.004 178.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -41.61 97.73 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.86 1.209 . . . . 0.0 109.734 175.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.14 -37.13 66.55 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 118.782 -0.628 . . . . 0.0 112.53 173.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -73.0 -58.84 3.03 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.997 0.817 . . . . 0.0 112.937 174.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -67.49 -22.97 65.43 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -173.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -124.24 39.48 3.96 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.336 1.854 . . . . 0.0 110.546 176.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -49.87 163.2 0.72 Allowed Glycine 0 CA--C 1.541 1.664 0 C-N-CA 123.593 0.616 . . . . 0.0 111.844 157.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt 61.72 -24.02 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 126.143 1.777 . . . . 0.0 115.342 -158.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -117.16 -3.56 11.5 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.521 1.128 . . . . 0.0 113.419 -175.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -68.53 39.5 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 127.958 2.503 . . . . 0.0 115.054 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.51 144.51 1.72 Allowed Pre-proline 0 N--CA 1.486 1.346 0 O-C-N 120.682 -1.262 . . . . 0.0 113.324 -166.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -46.09 -50.5 9.84 Favored 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 122.453 2.102 . . . . 0.0 115.633 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -63.94 -24.23 67.58 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.48 2.12 . . . . 0.0 115.595 172.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -43.58 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-N 120.934 1.697 . . . . 0.0 112.364 179.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -69.58 -38.83 77.53 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 120.207 1.367 . . . . 0.0 112.413 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.91 96.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.412 1.006 . . . . 0.0 111.611 172.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.57 -48.9 79.38 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.89 0.876 . . . . 0.0 111.098 176.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 130' ' ' TYR . . . . . 0.523 ' CZ ' HG23 ' D' ' 11' ' ' VAL . 33.5 m-85 -55.58 -49.99 71.29 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 118.625 -0.702 . . . . 0.0 112.027 168.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 131' ' ' GLN . . . . . 0.492 HE22 HG21 ' D' ' 111' ' ' VAL . 1.2 mp0 -54.58 -37.31 65.36 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.883 1.219 . . . . 0.0 113.294 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -67.9 -42.15 81.59 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.75 1.614 . . . . 0.0 112.63 176.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 35.7 m -72.54 -36.88 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 CA-C-N 119.652 1.114 . . . . 0.0 112.788 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 134' ' ' VAL . . . . . 0.436 HG11 ' HA3' ' D' ' 107' ' ' GLY . 32.2 t -62.28 -49.52 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 125.979 1.712 . . . . 0.0 110.706 172.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.29 -50.15 75.1 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.98 0.912 . . . . 0.0 110.885 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.88 -52.41 51.18 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-N 118.706 0.684 . . . . 0.0 113.045 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.44 -41.77 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 118.389 1.094 . . . . 0.0 110.532 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . 0.508 ' HB1' ' CD1' ' D' ' 103' ' ' PHE . . . -72.75 -36.74 67.77 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -60.43 -32.62 71.53 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 119.394 0.997 . . . . 0.0 110.903 168.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.91 -37.99 72.96 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 169.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 7.4 mt -64.65 -37.21 86.8 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.271 -1.518 . . . . 0.0 111.274 173.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.55 -8.63 35.65 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.584 1.154 . . . . 0.0 113.656 168.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -66.75 -26.62 67.07 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 119.519 -1.988 . . . . 0.0 113.884 -173.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -80.29 -17.75 51.24 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 121.143 -0.973 . . . . 0.0 113.255 168.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.15 -22.86 22.63 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.93 2.092 . . . . 0.0 113.066 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.256 1.421 0 C-N-CA 128.942 2.897 . . . . 0.0 117.1 -172.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.491 HMC1 ' HB3' ' A' ' 97' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 201' ' ' HEC . . . . . 0.667 ' HHD' HBC3 ' B' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 201' ' ' HEC . . . . . 0.5 HMC1 ' HB3' ' C' ' 97' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 201' ' ' HEC . . . . . 0.662 HBC3 ' HHD' ' D' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.269 5.8 p . . . . . 0 N--CA 1.508 2.453 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 58.0 mt -136.35 -172.42 3.14 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 120.556 1.525 . . . . 0.0 112.698 -174.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.46 158.75 60.52 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 126.908 2.083 . . . . 0.0 112.511 -173.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.05 -30.1 9.28 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.018 2.479 . . . . 0.0 113.55 -173.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.2 -33.13 56.37 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.641 -0.662 . . . . 0.0 112.573 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.66 -41.21 79.62 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.409 -0.807 . . . . 0.0 112.818 -173.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -58.2 -45.38 87.68 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-O 118.184 -0.912 . . . . 0.0 111.676 171.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.0 m -57.45 -45.83 84.29 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 120.046 1.294 . . . . 0.0 111.912 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -66.61 -39.7 88.48 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -73.65 -37.97 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-O 118.297 -0.859 . . . . 0.0 111.728 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 mptm? -55.87 -48.38 75.67 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.151 1.341 . . . . 0.0 110.879 169.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.13 -52.47 65.18 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.373 0.669 . . . . 0.0 111.454 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.0 -48.91 77.34 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -63.99 -30.34 71.43 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.15 -43.71 95.11 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.664 1.126 . . . . 0.0 113.317 171.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -66.17 -37.06 84.72 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 118.215 1.008 . . . . 0.0 111.764 172.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.1 -49.78 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 124.885 1.274 . . . . 0.0 112.821 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.71 -145.51 6.51 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 123.919 0.771 . . . . 0.0 114.535 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.38 -22.91 55.47 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -67.09 -7.98 27.19 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 174.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -45.33 -43.09 10.55 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.719 1.208 . . . . 0.0 114.003 174.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.09 -37.26 92.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 121.977 -0.452 . . . . 0.0 113.478 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -44.53 82.67 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.295 1.038 . . . . 0.0 111.113 174.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.48 -39.88 95.61 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.166 0.587 . . . . 0.0 112.029 175.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.05 -59.65 10.47 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.208 0.909 . . . . 0.0 111.658 170.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.25 -53.43 43.9 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.572 1.149 . . . . 0.0 112.942 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -61.3 -35.59 77.76 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.417 0.687 . . . . 0.0 112.193 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.434 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -60.74 -40.39 92.23 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 118.887 0.767 . . . . 0.0 111.955 175.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mt -65.83 -45.71 81.26 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 118.392 0.542 . . . . 0.0 111.127 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -57.06 -42.62 80.92 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.921 0.888 . . . . 0.0 110.023 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -44.64 93.44 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-O 117.013 -1.47 . . . . 0.0 111.536 174.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.6 mtm -57.04 -51.25 70.01 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 119.787 1.176 . . . . 0.0 112.173 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.51 -48.8 71.47 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.443 0.697 . . . . 0.0 110.371 -178.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.9 mt -71.34 -40.16 70.87 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.034 0.534 . . . . 0.0 111.789 -177.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.2 p -82.59 -30.7 29.39 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -172.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -142.86 66.85 17.65 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 125.312 1.445 . . . . 0.0 109.508 -167.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -48.11 -26.87 8.38 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 124.879 3.719 . . . . 0.0 116.057 -169.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -37.48 -44.53 0.66 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 127.307 2.243 . . . . 0.0 113.22 166.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 t -58.08 -34.55 70.27 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -58.82 -22.26 58.26 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.185 1.394 . . . . 0.0 113.329 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -51.84 -28.78 16.95 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 173.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -57.98 -19.13 28.35 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 56.68 64.59 4.57 Favored Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 125.598 1.559 . . . . 0.0 112.387 -176.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -53.94 157.54 10.39 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.87 2.38 . . . . 0.0 113.585 173.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -79.67 1.42 26.44 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.04 177.59 5.99 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.439 1.496 . . . . 0.0 113.959 -168.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -118.82 154.05 33.49 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.602 1.961 . . . . 0.0 111.333 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.8 mt -116.23 23.32 12.23 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.474 1.11 . . . . 0.0 112.751 -161.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.7 m -65.34 21.3 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 128.839 2.855 . . . . 0.0 117.626 -166.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 m80 58.23 144.08 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 127.875 2.47 . . . . 0.0 113.991 -161.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.28 22.37 60.86 Favored Glycine 0 CA--C 1.542 1.725 0 O-C-N 121.345 -0.847 . . . . 0.0 115.182 -176.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.3 t -65.4 115.08 5.29 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.994 1.318 . . . . 0.0 113.493 -170.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.13 75.99 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.664 1.186 . . . . 0.0 113.5 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -62.64 -40.87 98.38 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.661 -0.649 . . . . 0.0 111.935 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.6 t -66.16 -35.04 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.308 0.643 . . . . 0.0 111.083 177.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -62.9 -51.58 66.41 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 119.594 1.088 . . . . 0.0 111.714 171.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.33 -42.65 99.83 Favored Glycine 0 N--CA 1.472 1.084 0 C-N-CA 123.798 0.714 . . . . 0.0 112.903 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -63.64 -45.37 90.55 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.628 -0.924 . . . . 0.0 111.858 171.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.82 -45.92 69.0 Favored Glycine 0 CA--C 1.533 1.169 0 O-C-N 121.186 -0.946 . . . . 0.0 113.349 173.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -56.37 -43.98 79.71 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.586 1.154 . . . . 0.0 111.748 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -63.38 -47.45 82.0 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.049 0.939 . . . . 0.0 112.913 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.5 t -54.9 -44.84 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 118.969 0.804 . . . . 0.0 110.794 172.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.441 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -63.24 -47.06 84.06 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 177.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -59.71 -39.01 83.21 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.638 1.108 . . . . 0.0 112.156 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.8 -44.09 97.55 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 171.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.82 -39.58 89.53 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.334 -0.854 . . . . 0.0 111.793 172.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 85.3 m -59.54 -46.52 88.65 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 120.858 -1.151 . . . . 0.0 111.646 170.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -27.75 67.96 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.532 1.06 . . . . 0.0 112.353 177.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.63 -49.76 65.21 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 119.473 1.033 . . . . 0.0 110.721 166.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 76.4 t -55.36 -37.32 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 119.863 1.21 . . . . 0.0 111.915 176.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.61 -25.56 68.02 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 175.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -145.55 23.25 1.45 Allowed 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -163.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.464 HG21 ' CE2' ' A' ' 128' ' ' PHE . 3.1 p -60.61 -24.76 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 CA-C-N 122.234 2.288 . . . . 0.0 115.869 -157.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.4 -6.79 57.47 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.577 -1.327 . . . . 0.0 113.98 174.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -129.51 1.06 5.02 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 128.755 2.822 . . . . 0.0 112.811 -172.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -69.94 -9.93 0.17 Allowed Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 118.224 2.676 . . . . 0.0 118.224 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.58 ' HA ' HG13 ' A' ' 135' ' ' VAL . 6.8 Cg_exo -38.71 -42.28 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 123.842 3.028 . . . . 0.0 116.869 176.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -101.26 -7.92 22.61 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 175.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.6 -22.84 56.55 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.424 -1.422 . . . . 0.0 112.951 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.6 mt -92.41 10.57 29.43 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.009 0.822 . . . . 0.0 113.039 170.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.3 m -56.94 -32.83 66.4 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 120.362 1.437 . . . . 0.0 114.237 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.75 -29.98 70.48 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 119.766 1.166 . . . . 0.0 112.894 171.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mt -82.72 -36.76 25.54 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.421 1.089 . . . . 0.0 111.203 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.2 t -59.7 -41.94 91.9 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 122.222 -0.298 . . . . 0.0 111.402 167.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.53 -47.81 84.53 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.564 1.146 . . . . 0.0 112.115 173.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tp -47.57 -52.53 17.34 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.3 0.955 . . . . 0.0 111.783 166.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -34.93 76.04 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.456 -0.778 . . . . 0.0 113.012 -174.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.61 -26.44 17.86 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -175.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -104.33 -10.59 17.69 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.155 1.382 . . . . 0.0 113.283 -174.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -124.01 -57.2 1.62 Allowed 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 116.843 -1.551 . . . . 0.0 115.067 -174.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 mp -136.46 -77.48 0.42 Allowed 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 116.383 -1.77 . . . . 0.0 114.28 175.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 147.39 68.91 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.466 0 C-N-CA 131.039 3.736 . . . . 0.0 113.199 175.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 73.2 t -38.04 110.95 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 C-N-CA 126.515 1.926 . . . . 0.0 112.784 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -67.01 123.61 86.67 Favored Pre-proline 0 CA--C 1.54 0.56 0 C-N-CA 122.849 0.46 . . . . 0.0 112.233 -172.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.94 -38.83 44.57 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.327 2.018 . . . . 0.0 112.193 -177.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 52.5 t -64.93 -31.64 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 119.871 -1.768 . . . . 0.0 111.768 176.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -65.25 -30.18 71.03 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.202 0.91 . . . . 0.0 112.209 173.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -47.01 82.02 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.434 1.016 . . . . 0.0 111.71 172.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -57.11 -37.06 71.42 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 118.919 0.781 . . . . 0.0 111.737 -177.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 100' ' ' LEU . 5.1 mt -61.2 -59.37 5.42 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.798 0.839 . . . . 0.0 109.245 173.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.435 HD21 HBB3 ' A' ' 201' ' ' HEC . 0.1 OUTLIER -56.9 -38.07 72.31 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.789 0.836 . . . . 0.0 112.345 -179.573 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.6 t -57.2 -56.75 17.81 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.614 1.166 . . . . 0.0 112.515 171.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -30.53 71.57 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.097 -1.002 . . . . 0.0 111.379 178.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 79.7 m -69.54 -33.0 72.14 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 172.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 mt -69.75 -47.93 61.2 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 119.897 1.226 . . . . 0.0 110.841 169.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.5 mt -50.55 -40.99 53.44 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.572 -0.705 . . . . 0.0 111.611 171.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.0 t -57.35 -53.23 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 169.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.6 p -68.99 -30.86 69.36 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.454 1.024 . . . . 0.0 112.731 -177.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.6 -49.35 54.88 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.021 0.828 . . . . 0.0 110.5 173.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.47 -33.67 60.12 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 172.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.1 -9.3 45.25 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -131.3 -31.82 1.61 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -176.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.3 mp -83.34 173.01 8.1 Favored Pre-proline 0 CA--C 1.559 1.322 0 C-N-CA 124.379 1.072 . . . . 0.0 110.9 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -58.64 -138.9 0.0 OUTLIER 'Trans proline' 0 CA--C 1.552 1.391 1 C-N-CA 125.918 4.412 . . . . 0.0 114.857 167.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.88 39.51 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.695 1.998 . . . . 0.0 115.218 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -38.46 -28.95 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 130.46 3.504 . . . . 0.0 115.633 -176.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -71.97 8.39 1.25 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.925 2.09 . . . . 0.0 116.439 171.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.25 159.4 1.55 Allowed Pre-proline 0 N--CA 1.491 1.599 0 CA-C-N 121.361 1.891 . . . . 0.0 113.242 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -56.0 -44.68 44.8 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.103 1.868 . . . . 0.0 112.84 171.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.16 -59.75 3.76 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 119.31 -0.376 . . . . 0.0 110.288 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 24.5 t -68.05 -43.93 85.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 120.249 -1.532 . . . . 0.0 113.22 -171.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -69.73 -48.45 59.42 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 120.065 1.302 . . . . 0.0 112.358 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.06 84.88 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.853 1.206 . . . . 0.0 110.612 175.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.9 m -62.44 -51.76 66.24 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.49 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.85 -41.94 95.29 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 120.473 1.488 . . . . 0.0 112.809 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -58.32 -50.58 73.11 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 120.086 1.312 . . . . 0.0 111.848 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.35 -28.93 59.78 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.464 ' CE2' HG21 ' A' ' 73' ' ' VAL . 5.8 t80 -70.22 -46.12 65.14 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.565 1.075 . . . . 0.0 110.928 172.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.95 -37.19 81.5 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 120.243 -1.535 . . . . 0.0 110.523 172.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.18 -44.59 96.27 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 170.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 96.1 p -67.23 -40.39 86.34 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 120.598 1.545 . . . . 0.0 111.853 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 44.9 t -52.85 -49.19 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.613 1.165 . . . . 0.0 109.678 170.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.6 t -57.82 -54.58 45.26 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 172.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 96.8 m -51.53 -34.12 34.97 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.469 1.031 . . . . 0.0 112.303 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.58 HG13 ' HA ' ' A' ' 77' ' ' PRO . 58.9 t -79.45 -42.44 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 172.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.81 -32.65 65.93 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.182 -1.574 . . . . 0.0 112.744 173.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 44.4 p -97.48 -1.48 44.04 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.67 1.988 . . . . 0.0 112.787 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 14.7 t -160.81 126.88 3.95 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 120.552 1.524 . . . . 0.0 113.756 177.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -56.18 -29.01 60.26 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.868 1.432 . . . . 0.0 114.868 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -161.28 -61.3 0.05 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.917 0.887 . . . . 0.0 112.739 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 . . . . . 0 C--O 1.254 1.333 0 C-N-CA 125.74 1.616 . . . . 0.0 113.752 -177.857 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.312 2.4 p . . . . . 0 N--CA 1.514 2.744 0 CA-C-O 117.643 -1.17 . . . . 0.0 112.877 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 27.5 80.28 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 128.012 2.525 . . . . 0.0 116.475 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 mt -57.67 163.45 2.51 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.061 1.345 . . . . 0.0 111.962 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.36 156.4 81.32 Favored Pre-proline 0 N--CA 1.485 1.322 0 CA-C-O 118.489 -0.767 . . . . 0.0 109.577 161.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -56.93 -45.79 33.76 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.659 2.239 . . . . 0.0 114.767 175.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.71 -35.21 76.88 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.223 -0.923 . . . . 0.0 111.954 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.493 ' HG2' ' HB2' ' B' ' 129' ' ' ALA . 8.0 tt0 -69.47 -40.62 76.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.09 0.956 . . . . 0.0 110.865 176.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -60.62 -45.1 95.29 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.046 1.339 . . . . 0.0 111.492 171.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.1 t -54.66 -48.09 72.76 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.933 0.493 . . . . 0.0 110.659 175.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.22 -53.27 60.23 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 175.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.425 HG23 ' CE2' ' B' ' 130' ' ' TYR . 6.6 p -65.21 -43.1 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 CA-C-N 119.787 1.176 . . . . 0.0 111.903 -176.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -76.85 -31.15 56.65 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.713 -0.617 . . . . 0.0 111.706 -175.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.49 -40.68 76.9 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.331 1.423 . . . . 0.0 112.504 170.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.06 -29.31 68.24 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.272 -0.892 . . . . 0.0 111.41 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -65.1 -45.02 86.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.29 0.636 . . . . 0.0 112.079 164.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.67 -35.77 58.02 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.183 1.373 . . . . 0.0 115.075 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -90.01 -10.45 44.89 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 174.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.74 135.61 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.032 0.933 . . . . 0.0 112.005 -169.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -83.02 80.67 8.97 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 46.6 t -49.95 -40.32 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 124.447 1.099 . . . . 0.0 113.727 -168.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -70.37 -35.88 73.81 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.89 0.876 . . . . 0.0 113.125 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -89.81 -49.82 6.4 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.312 -0.867 . . . . 0.0 111.346 -175.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.431 HG22 HG13 ' B' ' 113' ' ' VAL . 0.5 OUTLIER -59.52 -35.02 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 123.485 0.714 . . . . 0.0 111.002 169.2 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.43 -46.75 67.53 Favored Glycine 0 C--N 1.339 0.747 0 O-C-N 120.79 -1.194 . . . . 0.0 111.765 176.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.74 -44.18 95.96 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-N 117.51 0.655 . . . . 0.0 112.684 172.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -65.6 -34.92 79.37 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 124.003 0.921 . . . . 0.0 112.692 173.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.61 ' HB2' HG11 ' B' ' 113' ' ' VAL . . . -65.33 -54.74 24.48 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 120.718 1.599 . . . . 0.0 109.822 176.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 tp -68.62 -40.96 80.15 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.153 -174.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.403 ' O ' HG13 ' B' ' 33' ' ' VAL . . . -49.42 -58.12 8.49 Favored Glycine 0 CA--C 1.528 0.844 0 CA-C-O 119.052 -0.86 . . . . 0.0 112.515 163.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 37.7 ttt-85 -49.93 -31.86 13.43 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 125.441 1.496 . . . . 0.0 114.15 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tt -79.59 -51.12 9.69 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.177 1.353 . . . . 0.0 112.137 171.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.426 ' HB3' HD11 ' B' ' 48' ' ' LEU . 6.3 mp -73.68 -14.38 61.14 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.373 -0.829 . . . . 0.0 111.881 -171.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.403 HG13 ' O ' ' B' ' 29' ' ' GLY . 34.5 m -85.88 -12.31 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -65.31 11.58 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 CA-C-N 122.07 2.214 . . . . 0.0 113.296 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . 0.402 ' H ' ' C ' ' B' ' 33' ' ' VAL . 1.5 t80 36.54 41.24 0.23 Allowed Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 128.54 2.736 . . . . 0.0 114.413 -157.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -76.5 165.1 29.64 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 121.577 1.518 . . . . 0.0 110.061 -174.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 31.5 p90 -51.69 -30.45 22.13 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.266 -0.896 . . . . 0.0 112.261 166.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.63 -31.34 24.92 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.059 1.344 . . . . 0.0 114.081 172.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -59.59 -19.37 48.32 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.777 1.171 . . . . 0.0 113.21 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -62.87 -16.86 60.41 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 120.312 -1.492 . . . . 0.0 113.956 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.33 -1.21 57.9 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 172.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 0.505 ' HB2' HD13 ' B' ' 48' ' ' LEU . 1.6 p90 -62.79 -10.05 11.6 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 117.168 2.284 . . . . 0.0 117.168 -163.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -51.59 -26.35 8.61 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 176.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.414 ' O ' ' HE3' ' B' ' 59' ' ' LYS . 34.2 p -86.86 8.57 22.36 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.249 1.42 . . . . 0.0 114.622 174.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -115.33 -14.88 11.63 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.676 1.19 . . . . 0.0 113.822 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.29 -146.25 24.85 Favored Glycine 0 CA--C 1.536 1.368 0 CA-C-N 120.917 1.689 . . . . 0.0 112.904 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.62 117.93 3.76 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.647 0.779 . . . . 0.0 112.004 176.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.505 HD13 ' HB2' ' B' ' 42' ' ' PHE . 8.7 tt -153.83 -23.51 0.14 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -174.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 4.0 m -58.2 -8.1 1.01 Allowed 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -169.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 34.1 p -142.55 163.6 37.94 Favored Pre-proline 0 N--CA 1.474 0.732 0 C-N-CA 127.573 2.349 . . . . 0.0 109.578 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -57.26 -49.25 14.48 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.074 1.849 . . . . 0.0 112.6 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.37 -38.54 84.23 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.912 0.885 . . . . 0.0 111.867 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.78 -60.62 3.54 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 122.867 0.467 . . . . 0.0 111.257 173.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 p -66.14 -39.02 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -171.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 44.0 mtt -77.72 -21.91 51.2 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -173.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.86 -19.6 19.17 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 124.357 0.979 . . . . 0.0 114.639 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.699 HD22 HG23 ' B' ' 60' ' ' VAL . 13.4 t30 -68.14 125.69 91.81 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 124.642 1.177 . . . . 0.0 113.811 -172.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -63.65 -39.07 36.98 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.136 2.558 . . . . 0.0 113.532 -171.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.414 ' HE3' ' O ' ' B' ' 44' ' ' SER . 44.1 tttp -63.96 -34.93 79.08 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.653 1.115 . . . . 0.0 113.102 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.699 HG23 HD22 ' B' ' 57' ' ' ASN . 63.3 t -65.18 -46.17 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.946 0.899 . . . . 0.0 110.7 169.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -64.49 -40.05 94.94 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.169 0.895 . . . . 0.0 112.252 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.88 -33.71 72.59 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.569 1.548 . . . . 0.0 114.044 175.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.2 -38.67 82.22 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.404 -1.435 . . . . 0.0 111.022 164.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.18 -51.06 32.1 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 125.165 1.364 . . . . 0.0 113.445 168.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -52.92 -40.55 63.66 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.329 1.452 . . . . 0.0 113.204 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -52.09 11.23 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.756 0.822 . . . . 0.0 112.473 -178.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 16.5 m -56.7 -40.78 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 CA-C-N 119.545 1.066 . . . . 0.0 111.433 174.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tt -84.51 -35.1 23.15 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.032 -1.043 . . . . 0.0 112.905 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.09 -40.19 82.33 Favored Glycine 0 CA--C 1.535 1.31 0 O-C-N 121.235 -0.916 . . . . 0.0 112.002 165.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.89 -46.54 74.59 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.837 -0.802 . . . . 0.0 112.859 170.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -54.27 -33.62 59.03 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 121.147 1.794 . . . . 0.0 112.528 170.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -41.19 74.95 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 170.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -55.01 -33.3 62.5 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.799 1.181 . . . . 0.0 111.697 169.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.14 -63.72 4.92 Favored Glycine 0 C--N 1.339 0.729 0 CA-C-O 119.275 -0.736 . . . . 0.0 111.38 166.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.5 mt -53.14 -22.08 5.85 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.2 -25.5 25.61 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.726 1.61 . . . . 0.0 114.886 174.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -144.34 43.96 1.41 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.631 1.572 . . . . 0.0 112.824 -170.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.54 -18.76 32.04 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.43 -38.37 71.5 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.241 1.416 . . . . 0.0 114.084 176.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -158.04 90.65 1.07 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.967 0.907 . . . . 0.0 112.706 177.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.8 mt -65.55 -27.07 68.17 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -67.36 4.28 1.03 Allowed 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 -174.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -122.01 -42.02 0.46 Allowed Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.736 1.636 . . . . 0.0 112.999 176.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 5.7 p -71.11 -24.84 62.37 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.382 1.091 . . . . 0.0 113.562 173.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -106.37 -3.52 20.99 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.45 -41.28 65.95 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 120.212 1.369 . . . . 0.0 114.51 -171.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 14.9 p -64.94 -34.59 78.77 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.371 1.068 . . . . 0.0 112.695 173.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 43.4 mt -74.49 -37.38 63.18 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.534 1.134 . . . . 0.0 111.286 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -60.98 -44.61 97.13 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.457 1.026 . . . . 0.0 111.017 169.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -60.17 -38.86 84.46 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.666 0.786 . . . . 0.0 112.01 171.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.1 tp -69.4 -57.54 5.15 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.211 -0.93 . . . . 0.0 111.809 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -73.52 -12.54 60.81 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -176.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 79.4 m -109.72 -90.51 0.47 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.126 0.971 . . . . 0.0 110.5 167.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -51.7 -34.59 39.36 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -166.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -86.92 -53.31 4.97 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.306 1.042 . . . . 0.0 113.627 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 51.6 mt -105.48 -33.24 8.19 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.061 1.344 . . . . 0.0 113.176 -170.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 42.04 30.84 0.2 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 128.039 2.536 . . . . 0.0 115.516 -174.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -57.8 145.99 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 121.284 -0.885 . . . . 0.0 110.687 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -58.66 130.66 85.43 Favored Pre-proline 0 CA--C 1.547 0.855 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -160.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -62.85 -37.46 54.91 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 122.53 2.153 . . . . 0.0 114.367 -164.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.81 -28.04 5.82 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 120.404 -1.435 . . . . 0.0 114.364 171.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.84 -34.86 76.72 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.18 -0.95 . . . . 0.0 112.114 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . 0.574 ' CE1' ' HB1' ' B' ' 138' ' ' ALA . 1.4 p90 -64.45 -40.91 96.62 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.776 1.625 . . . . 0.0 111.053 175.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -63.41 -47.14 83.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.035 0.534 . . . . 0.0 109.698 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 96.8 mt -56.08 -49.16 74.58 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.92 174.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.66 -43.32 97.77 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.608 1.095 . . . . 0.0 110.859 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.99 -56.03 27.38 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.262 0.934 . . . . 0.0 113.91 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.91 -40.36 88.58 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.212 1.006 . . . . 0.0 111.086 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 14.3 t -59.91 -42.47 89.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 118.421 -0.8 . . . . 0.0 112.443 175.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.402 ' O ' HG12 ' B' ' 113' ' ' VAL . 6.9 tp -57.0 -52.98 63.11 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 118.722 0.692 . . . . 0.0 110.809 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.413 HG12 ' HB3' ' B' ' 130' ' ' TYR . 0.9 OUTLIER -54.93 -39.55 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 118.473 0.578 . . . . 0.0 109.809 -177.605 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 11.0 t -73.18 -33.12 65.25 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . 0.61 HG11 ' HB2' ' B' ' 27' ' ' ALA . 1.9 p -61.94 -37.26 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 121.291 1.86 . . . . 0.0 111.747 171.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 mt -63.89 -35.93 82.25 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.812 -0.555 . . . . 0.0 110.073 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.33 -34.02 74.02 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 170.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -59.01 -60.33 4.05 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 120.641 1.564 . . . . 0.0 110.268 168.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -71.22 -26.27 62.86 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -167.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -130.34 40.47 3.52 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.609 1.164 . . . . 0.0 112.381 -176.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -55.55 -5.34 0.79 Allowed Glycine 0 CA--C 1.541 1.69 0 C-N-CA 126.505 2.002 . . . . 0.0 117.328 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -84.96 -21.71 29.46 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.833 1.317 . . . . 0.0 113.264 170.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -135.64 6.01 3.19 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.777 1.631 . . . . 0.0 113.17 -170.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -61.64 30.03 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 128.907 2.883 . . . . 0.0 116.98 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 16.3 p -42.41 148.15 0.54 Allowed Pre-proline 0 N--CA 1.481 1.121 0 C-N-CA 125.74 1.616 . . . . 0.0 115.211 -167.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -43.93 -46.75 10.64 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 122.591 2.194 . . . . 0.0 114.633 172.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.6 -32.58 18.96 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.724 1.616 . . . . 0.0 114.773 173.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.53 -39.56 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-N 122.25 2.296 . . . . 0.0 112.061 177.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -63.32 -41.58 98.92 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.286 0.634 . . . . 0.0 110.808 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.75 -41.1 96.16 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 173.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . 0.493 ' HB2' ' HG2' ' B' ' 7' ' ' GLU . . . -59.18 -47.76 84.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 119.233 0.924 . . . . 0.0 111.962 172.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.425 ' CE2' HG23 ' B' ' 11' ' ' VAL . 10.8 m-85 -52.08 -50.33 61.78 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 118.865 -0.588 . . . . 0.0 111.026 167.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -57.14 -38.18 73.11 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.543 1.065 . . . . 0.0 113.357 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -72.31 -44.02 63.32 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.617 1.553 . . . . 0.0 112.268 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 23.0 m -63.1 -38.57 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 119.921 1.237 . . . . 0.0 110.992 172.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 22.4 t -61.12 -43.29 96.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 124.962 1.305 . . . . 0.0 111.849 172.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -70.08 -34.67 73.47 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.633 1.106 . . . . 0.0 112.477 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.05 -49.19 77.59 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 121.392 -0.818 . . . . 0.0 111.357 167.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 22.6 t -56.83 -46.07 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.755 0.822 . . . . 0.0 112.192 175.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . 0.574 ' HB1' ' CE1' ' B' ' 103' ' ' PHE . . . -51.54 -54.89 22.64 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.533 1.133 . . . . 0.0 111.971 173.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -58.79 -39.85 82.31 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 176.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.34 -50.43 67.78 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.845 0.748 . . . . 0.0 112.321 177.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.68 -42.26 99.53 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.175 -0.953 . . . . 0.0 111.47 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.75 -11.52 37.32 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 174.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -62.71 -18.44 62.49 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 120.563 1.529 . . . . 0.0 114.264 -173.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -87.08 1.55 52.59 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.31 1.444 . . . . 0.0 113.906 171.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -135.96 -18.17 1.6 Allowed 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 125.929 1.692 . . . . 0.0 114.768 -177.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 79.5 m80 . . . . . 0 C--O 1.257 1.497 0 C-N-CA 128.302 2.641 . . . . 0.0 114.08 179.152 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.269 5.7 p . . . . . 0 N--CA 1.508 2.464 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 57.7 mt -136.33 -172.48 3.15 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.499 1.5 . . . . 0.0 112.724 -174.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.39 158.68 60.59 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 126.902 2.081 . . . . 0.0 112.467 -172.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.02 -30.01 9.44 Favored 'Trans proline' 0 CA--C 1.537 0.637 0 C-N-CA 123.047 2.498 . . . . 0.0 113.616 -173.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.32 -33.03 55.62 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.643 -0.661 . . . . 0.0 112.547 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.69 -41.24 79.45 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.338 -0.851 . . . . 0.0 112.686 -173.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -58.26 -45.33 88.03 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 118.069 -0.967 . . . . 0.0 111.683 171.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 40.2 m -57.41 -45.86 84.14 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 120.08 1.309 . . . . 0.0 111.951 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -66.74 -39.63 88.01 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 178.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 58.0 t -73.62 -38.13 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.727 177.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -55.81 -48.29 75.67 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 120.181 1.355 . . . . 0.0 110.936 169.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.25 -52.36 65.66 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.233 0.613 . . . . 0.0 111.397 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.13 -48.8 77.76 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -64.09 -30.19 71.28 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.39 -43.66 94.6 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.733 1.159 . . . . 0.0 113.239 171.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -66.07 -37.13 85.04 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 118.288 1.044 . . . . 0.0 111.749 172.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.13 -49.79 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 124.915 1.286 . . . . 0.0 112.706 177.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.57 -145.44 6.36 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 123.947 0.784 . . . . 0.0 114.572 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.37 -22.8 54.94 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -67.28 -7.8 27.05 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 174.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.425 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -45.54 -43.02 11.54 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.769 1.227 . . . . 0.0 113.853 175.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.11 -37.18 92.83 Favored Glycine 0 CA--C 1.528 0.857 0 O-C-N 122.024 -0.422 . . . . 0.0 113.591 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -44.61 82.7 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.293 1.037 . . . . 0.0 111.081 174.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -63.58 -39.78 95.26 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.167 0.587 . . . . 0.0 112.035 175.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.97 -59.69 10.4 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 124.289 0.947 . . . . 0.0 111.621 169.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.47 -53.28 47.75 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.58 1.152 . . . . 0.0 112.903 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -61.23 -35.74 78.04 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 123.497 0.719 . . . . 0.0 112.166 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.439 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -60.57 -40.58 92.2 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 118.939 0.79 . . . . 0.0 111.971 175.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mt -65.77 -45.61 81.87 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.345 0.521 . . . . 0.0 111.045 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -57.21 -42.48 81.39 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.944 0.898 . . . . 0.0 109.961 177.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -44.59 93.82 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 117.045 -1.455 . . . . 0.0 111.529 174.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 45.2 mtm -56.99 -51.4 69.36 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 119.751 1.159 . . . . 0.0 112.262 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.33 -49.06 70.61 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.596 0.758 . . . . 0.0 110.363 -178.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 41.0 mt -71.0 -40.54 71.76 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.26 0.624 . . . . 0.0 111.835 -177.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 93.2 p -82.2 -30.88 30.64 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -172.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -142.8 66.9 17.99 Favored Pre-proline 0 CA--C 1.542 0.635 0 C-N-CA 125.329 1.452 . . . . 0.0 109.598 -167.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -48.28 -26.92 8.93 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 124.918 3.745 . . . . 0.0 116.002 -169.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -37.16 -44.58 0.57 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 127.362 2.265 . . . . 0.0 113.291 166.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 5.0 t -58.12 -34.48 70.28 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.855 1.058 . . . . 0.0 113.855 -178.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -58.88 -22.38 59.16 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.363 1.465 . . . . 0.0 113.33 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 4.8 t -51.87 -28.65 16.76 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 173.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -57.99 -19.26 29.45 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 56.71 64.52 4.61 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 125.468 1.507 . . . . 0.0 112.562 -176.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -53.84 157.65 9.93 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 C-N-CA 122.897 2.398 . . . . 0.0 113.518 173.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -79.8 1.37 27.07 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -124.95 177.54 5.99 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.455 1.502 . . . . 0.0 114.014 -168.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -118.67 154.12 33.23 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.65 1.98 . . . . 0.0 111.327 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 20.4 mt -116.19 23.27 12.28 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.502 1.121 . . . . 0.0 112.8 -161.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 16.8 m -65.3 21.21 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 128.943 2.897 . . . . 0.0 117.539 -166.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 m80 58.16 144.0 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.934 2.494 . . . . 0.0 114.044 -160.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.4 22.44 61.23 Favored Glycine 0 CA--C 1.543 1.798 0 O-C-N 121.264 -0.897 . . . . 0.0 115.024 -176.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 48.1 t -65.46 115.06 5.31 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.017 1.327 . . . . 0.0 113.56 -170.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -40.26 76.1 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.733 1.213 . . . . 0.0 113.437 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -62.51 -41.02 98.56 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.655 -0.653 . . . . 0.0 111.888 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 41.2 t -65.99 -35.21 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 123.332 0.653 . . . . 0.0 111.111 177.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -62.78 -51.65 66.25 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 119.596 1.089 . . . . 0.0 111.634 171.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.38 -42.66 99.83 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 123.974 0.797 . . . . 0.0 112.818 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -63.74 -45.31 90.46 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.694 -0.886 . . . . 0.0 111.897 171.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.75 -45.9 68.42 Favored Glycine 0 CA--C 1.534 1.226 0 O-C-N 121.178 -0.951 . . . . 0.0 113.375 173.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -56.55 -43.83 80.29 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.564 1.146 . . . . 0.0 111.699 172.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -63.44 -47.49 81.66 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.003 0.921 . . . . 0.0 112.86 175.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 91.7 t -54.84 -44.94 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 119.043 0.838 . . . . 0.0 110.757 172.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . 0.425 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -63.06 -47.02 84.71 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 176.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -59.88 -39.04 83.96 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.654 1.116 . . . . 0.0 112.119 175.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' ALA . . . . . 0.405 ' HB1' HD11 ' C' ' 83' ' ' LEU . . . -61.55 -44.25 97.37 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 170.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -39.47 88.6 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.422 -0.799 . . . . 0.0 111.849 172.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 85.1 m -59.58 -46.64 88.32 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.873 -1.142 . . . . 0.0 111.566 170.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -27.81 68.07 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.545 1.066 . . . . 0.0 112.455 177.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.57 -49.76 65.32 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 119.489 1.041 . . . . 0.0 110.758 166.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 77.4 t -55.32 -37.38 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 119.961 1.255 . . . . 0.0 111.833 176.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.75 -25.38 67.9 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -145.41 22.64 1.49 Allowed 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -163.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.468 HG21 ' CE2' ' C' ' 128' ' ' PHE . 3.1 p -60.34 -24.64 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 CA-C-N 122.264 2.302 . . . . 0.0 115.946 -156.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.61 -6.71 57.35 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 120.558 -1.339 . . . . 0.0 113.999 174.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -129.59 1.16 4.98 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 128.777 2.831 . . . . 0.0 112.804 -172.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -69.81 -10.2 0.18 Allowed Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 118.203 2.668 . . . . 0.0 118.203 -178.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . 0.596 ' HA ' HG13 ' C' ' 135' ' ' VAL . 7.0 Cg_exo -38.74 -41.97 1.78 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 123.712 2.942 . . . . 0.0 117.002 176.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -101.47 -7.93 22.41 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 175.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.55 -22.8 56.73 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.398 -1.439 . . . . 0.0 113.11 175.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 17.6 mt -92.48 10.59 29.52 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 118.917 0.78 . . . . 0.0 112.954 170.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 39.0 m -56.88 -32.76 66.17 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.454 1.479 . . . . 0.0 114.218 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.78 -30.11 70.58 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 119.749 1.159 . . . . 0.0 112.891 171.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 83' ' ' LEU . . . . . 0.405 HD11 ' HB1' ' C' ' 65' ' ' ALA . 8.3 mt -82.56 -36.79 25.94 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.597 1.159 . . . . 0.0 111.208 177.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 17.6 t -59.82 -41.95 92.43 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 122.196 -0.315 . . . . 0.0 111.341 167.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.5 -47.82 84.48 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.495 1.118 . . . . 0.0 112.11 173.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 tp -47.7 -52.43 18.38 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.144 0.884 . . . . 0.0 111.741 166.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -34.93 76.07 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -174.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.75 -26.28 17.81 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -175.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -104.46 -10.59 17.58 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.14 1.376 . . . . 0.0 113.251 -174.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -123.97 -57.24 1.62 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -174.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 1.5 mp -136.51 -77.54 0.42 Allowed 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 116.258 -1.829 . . . . 0.0 114.282 175.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 147.52 69.02 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 130.992 3.717 . . . . 0.0 113.012 175.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 72.6 t -38.12 110.93 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 C-N-CA 126.592 1.957 . . . . 0.0 112.803 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -66.93 123.81 87.1 Favored Pre-proline 0 CA--C 1.54 0.587 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -172.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -63.25 -38.73 42.47 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.307 2.005 . . . . 0.0 112.156 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.91 -31.56 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 119.946 -1.721 . . . . 0.0 111.75 176.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -65.43 -30.07 70.83 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.226 0.921 . . . . 0.0 112.272 173.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -46.83 82.54 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.407 1.003 . . . . 0.0 111.786 172.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -57.2 -36.82 71.32 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.926 0.785 . . . . 0.0 111.811 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.42 -59.29 5.48 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.764 0.826 . . . . 0.0 109.274 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . 0.452 HD21 HBB3 ' C' ' 201' ' ' HEC . 0.1 OUTLIER -56.8 -38.24 72.28 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.829 0.852 . . . . 0.0 112.38 -179.713 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 29.3 t -57.16 -57.14 13.91 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.686 1.194 . . . . 0.0 112.346 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -30.09 71.14 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.332 -0.855 . . . . 0.0 111.324 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 104' ' ' CYS . . . . . 0.439 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 78.8 m -69.81 -32.61 71.15 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 172.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.07 -48.01 59.58 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 119.862 1.21 . . . . 0.0 110.876 169.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 6.6 mt -50.3 -41.05 50.28 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.667 -0.646 . . . . 0.0 111.708 171.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 4.0 t -57.41 -53.18 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 169.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 4.3 p -69.02 -30.81 69.25 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.359 0.981 . . . . 0.0 112.742 -177.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.55 -49.41 54.63 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.944 0.793 . . . . 0.0 110.569 173.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.63 -33.18 60.18 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 172.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.5 -9.12 46.91 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 176.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -131.51 -31.72 1.57 Allowed 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -176.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 9.3 mp -83.4 172.99 8.11 Favored Pre-proline 0 CA--C 1.56 1.341 0 C-N-CA 124.308 1.043 . . . . 0.0 110.904 176.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -58.71 -138.89 0.0 OUTLIER 'Trans proline' 0 CA--C 1.55 1.32 1 C-N-CA 125.817 4.345 . . . . 0.0 114.926 167.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.76 39.32 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.706 2.003 . . . . 0.0 115.222 175.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -38.43 -28.89 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 130.369 3.468 . . . . 0.0 115.679 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -72.0 8.52 1.22 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.721 2.008 . . . . 0.0 116.414 171.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.24 159.4 1.55 Allowed Pre-proline 0 N--CA 1.493 1.717 0 CA-C-N 121.478 1.944 . . . . 0.0 113.197 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -56.05 -44.59 45.48 Favored 'Trans proline' 0 C--N 1.355 0.902 0 C-N-CA 122.059 1.839 . . . . 0.0 112.86 171.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.16 -59.64 3.88 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 119.366 -0.349 . . . . 0.0 110.353 174.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 24.4 t -68.16 -43.88 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 120.321 -1.487 . . . . 0.0 113.184 -171.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -69.8 -48.49 58.94 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 120.024 1.284 . . . . 0.0 112.323 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.47 -43.36 84.0 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 119.852 1.205 . . . . 0.0 110.616 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 54.6 m -62.34 -51.85 66.01 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.468 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.8 -42.0 95.36 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 120.537 1.517 . . . . 0.0 112.757 177.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.35 -50.48 73.51 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 120.091 1.314 . . . . 0.0 111.816 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 -29.1 59.87 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 128' ' ' PHE . . . . . 0.468 ' CE2' HG21 ' C' ' 73' ' ' VAL . 5.7 t80 -70.16 -46.14 65.31 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.576 1.08 . . . . 0.0 110.896 172.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.99 -37.13 81.42 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.396 -1.44 . . . . 0.0 110.413 172.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.55 96.34 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.817 1.044 . . . . 0.0 113.817 171.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 95.3 p -67.38 -40.48 85.72 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 120.413 1.461 . . . . 0.0 111.891 176.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 45.5 t -52.57 -49.37 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.641 1.177 . . . . 0.0 109.701 169.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 30.6 t -57.83 -54.58 45.25 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 172.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 96.9 m -51.38 -34.3 33.68 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.471 1.032 . . . . 0.0 112.247 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 135' ' ' VAL . . . . . 0.596 HG13 ' HA ' ' C' ' 77' ' ' PRO . 58.1 t -79.37 -42.58 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 123.715 0.806 . . . . 0.0 112.961 173.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -32.49 66.01 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.129 -1.607 . . . . 0.0 112.794 173.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 44.5 p -97.57 -1.37 44.04 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.658 1.983 . . . . 0.0 112.724 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 14.1 t -160.84 126.76 3.91 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.609 1.55 . . . . 0.0 113.81 177.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -56.09 -29.07 60.06 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.88 1.437 . . . . 0.0 114.88 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -161.34 -61.27 0.05 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.878 0.871 . . . . 0.0 112.768 -178.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 125.798 1.639 . . . . 0.0 113.771 -177.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.314 2.4 p . . . . . 0 N--CA 1.514 2.738 0 CA-C-O 117.571 -1.204 . . . . 0.0 112.964 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 27.57 80.07 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 127.851 2.46 . . . . 0.0 116.585 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 mt -57.5 163.44 2.39 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.037 1.335 . . . . 0.0 111.961 174.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.31 156.45 81.44 Favored Pre-proline 0 N--CA 1.485 1.283 0 CA-C-O 118.453 -0.784 . . . . 0.0 109.5 161.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -57.05 -45.83 33.13 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 122.661 2.241 . . . . 0.0 114.754 175.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.58 -35.33 77.23 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.294 -0.879 . . . . 0.0 111.986 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' GLU . . . . . 0.489 ' HG2' ' HB2' ' D' ' 129' ' ' ALA . 7.9 tt0 -69.3 -40.85 77.45 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.263 1.025 . . . . 0.0 111.022 176.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -60.45 -45.19 94.57 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.879 1.272 . . . . 0.0 111.587 171.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 34.0 t -54.47 -48.06 72.24 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 122.924 0.49 . . . . 0.0 110.764 175.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.25 -53.11 62.02 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' VAL . . . . . 0.427 HG23 ' CE2' ' D' ' 130' ' ' TYR . 6.3 p -65.59 -42.82 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 119.865 1.211 . . . . 0.0 111.781 -176.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -76.8 -31.32 56.88 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 118.414 0.552 . . . . 0.0 111.752 -175.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.4 -40.84 77.11 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.48 -1.387 . . . . 0.0 112.585 171.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tt -67.72 -29.5 68.75 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.159 -0.963 . . . . 0.0 111.635 173.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -64.95 -45.17 86.85 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.374 0.669 . . . . 0.0 112.08 164.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.6 -35.83 57.79 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.381 1.467 . . . . 0.0 115.007 -176.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -89.91 -10.59 44.61 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 174.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.75 135.67 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 123.917 0.887 . . . . 0.0 111.955 -169.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -83.01 80.96 8.88 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 172.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 46.7 t -50.22 -40.27 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 124.452 1.101 . . . . 0.0 113.653 -168.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.32 -35.56 73.72 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.867 0.867 . . . . 0.0 113.245 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -90.3 -49.68 6.4 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.36 -0.837 . . . . 0.0 111.311 -175.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . 0.433 HG22 HG13 ' D' ' 113' ' ' VAL . 0.5 OUTLIER -59.64 -35.1 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 123.559 0.744 . . . . 0.0 110.843 169.053 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.18 -46.95 67.15 Favored Glycine 0 N--CA 1.468 0.773 0 CA-C-N 119.934 1.243 . . . . 0.0 111.695 176.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.61 -44.13 95.76 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 117.573 0.686 . . . . 0.0 112.744 172.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -65.75 -34.76 78.92 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 124.104 0.962 . . . . 0.0 112.671 174.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' ALA . . . . . 0.609 ' HB2' HG11 ' D' ' 113' ' ' VAL . . . -65.59 -54.54 26.36 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.57 1.532 . . . . 0.0 109.925 176.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' D' ' 28' ' ' LEU . 8.3 tp -68.65 -40.87 80.03 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.17 -174.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -49.33 -58.67 7.79 Favored Glycine 0 N--CA 1.469 0.845 0 CA-C-O 119.031 -0.871 . . . . 0.0 112.421 163.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 -49.44 -31.92 10.8 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.587 1.555 . . . . 0.0 114.185 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tt -79.72 -51.07 9.67 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.251 1.387 . . . . 0.0 112.028 171.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . 0.426 ' HB3' HD11 ' D' ' 48' ' ' LEU . 6.3 mp -73.66 -14.58 61.18 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.399 -0.813 . . . . 0.0 111.842 -171.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' VAL . . . . . 0.401 ' C ' ' H ' ' D' ' 35' ' ' TYR . 34.9 m -85.67 -12.19 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -65.47 11.7 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 CA-C-N 122.13 2.241 . . . . 0.0 113.246 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' TYR . . . . . 0.401 ' H ' ' C ' ' D' ' 33' ' ' VAL . 1.5 t80 36.47 41.37 0.24 Allowed Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 128.554 2.742 . . . . 0.0 114.401 -157.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -76.52 165.04 29.71 Favored 'Trans proline' 0 C--N 1.357 1.026 0 C-N-CA 121.62 1.547 . . . . 0.0 109.968 -174.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 31.7 p90 -51.62 -30.24 20.61 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.233 -0.917 . . . . 0.0 112.349 166.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -31.32 27.9 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.993 1.317 . . . . 0.0 114.057 172.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -59.41 -19.53 47.94 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.823 1.192 . . . . 0.0 113.237 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -62.88 -16.85 60.43 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 120.328 -1.482 . . . . 0.0 113.884 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.32 -1.29 57.94 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 172.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 42' ' ' PHE . . . . . 0.519 ' HB2' HD13 ' D' ' 48' ' ' LEU . 1.6 p90 -62.91 -9.9 11.48 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 117.081 2.252 . . . . 0.0 117.081 -163.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -51.7 -26.3 9.03 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . 0.417 ' O ' ' HE3' ' D' ' 59' ' ' LYS . 34.0 p -86.74 8.47 22.49 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.278 1.431 . . . . 0.0 114.688 174.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -115.35 -14.97 11.6 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.639 1.175 . . . . 0.0 113.815 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 82.3 -146.27 24.85 Favored Glycine 0 CA--C 1.535 1.322 0 CA-C-N 120.709 1.595 . . . . 0.0 112.865 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.61 117.79 3.65 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.692 0.797 . . . . 0.0 112.04 176.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 48' ' ' LEU . . . . . 0.519 HD13 ' HB2' ' D' ' 42' ' ' PHE . 8.7 tt -153.63 -23.55 0.14 Allowed 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 -174.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 4.0 m -58.32 -7.91 1.0 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 116.38 1.992 . . . . 0.0 116.38 -169.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 50' ' ' THR . . . . . 0.402 ' HB ' ' HD2' ' D' ' 51' ' ' PRO . 34.4 p -142.8 163.68 36.95 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 127.561 2.345 . . . . 0.0 109.453 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 51' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' D' ' 50' ' ' THR . 5.6 Cg_endo -57.36 -49.26 14.28 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 121.973 1.782 . . . . 0.0 112.649 176.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.38 -38.51 84.15 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.9 0.88 . . . . 0.0 111.958 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.67 -60.72 3.38 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.88 0.472 . . . . 0.0 111.284 173.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 1.3 p -66.14 -39.01 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -171.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 44.2 mtt -77.62 -22.0 51.42 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -173.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.63 -19.73 19.31 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.364 0.983 . . . . 0.0 114.481 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 57' ' ' ASN . . . . . 0.698 HD22 HG23 ' D' ' 60' ' ' VAL . 13.1 t30 -68.14 125.73 91.85 Favored Pre-proline 0 CA--C 1.548 0.893 0 CA-C-N 118.57 1.185 . . . . 0.0 113.835 -172.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.75 -38.91 37.02 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.079 2.519 . . . . 0.0 113.61 -171.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 59' ' ' LYS . . . . . 0.417 ' HE3' ' O ' ' D' ' 44' ' ' SER . 44.0 tttp -63.99 -35.0 79.28 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.621 1.101 . . . . 0.0 113.146 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 60' ' ' VAL . . . . . 0.698 HG23 HD22 ' D' ' 57' ' ' ASN . 64.6 t -64.96 -46.37 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.914 0.885 . . . . 0.0 110.695 169.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -64.31 -40.03 95.11 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 119.171 0.896 . . . . 0.0 112.42 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.9 -33.6 72.4 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.435 1.494 . . . . 0.0 114.203 175.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.13 -38.72 82.52 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.472 -1.392 . . . . 0.0 111.165 164.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.13 -51.04 31.92 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.205 1.383 . . . . 0.0 113.416 168.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -52.94 -40.5 63.7 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.297 1.439 . . . . 0.0 113.232 171.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -51.95 11.5 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.715 0.806 . . . . 0.0 112.473 -178.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 16.7 m -56.87 -40.58 72.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 CA-C-N 119.533 1.06 . . . . 0.0 111.389 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tt -84.73 -35.1 22.7 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.964 -1.085 . . . . 0.0 112.756 -175.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.09 -40.39 82.96 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 121.424 -0.798 . . . . 0.0 111.852 165.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.73 -46.57 75.02 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 117.835 0.818 . . . . 0.0 112.986 170.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -54.23 -33.69 58.95 Favored 'General case' 0 CA--C 1.556 1.194 0 CA-C-N 121.002 1.728 . . . . 0.0 112.586 170.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -41.18 75.26 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 170.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -55.21 -33.15 62.82 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.748 1.158 . . . . 0.0 111.72 169.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.07 -63.96 4.71 Favored Glycine 0 C--N 1.338 0.676 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 166.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.5 mt -53.08 -21.97 5.42 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.18 -25.59 25.59 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.821 1.648 . . . . 0.0 114.93 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -144.29 44.01 1.42 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.537 1.535 . . . . 0.0 112.902 -170.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.64 -18.64 32.24 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.36 -38.56 71.57 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.212 1.405 . . . . 0.0 114.085 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -157.97 90.76 1.08 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.928 0.891 . . . . 0.0 112.77 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 71.4 mt -65.55 -27.06 68.17 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -67.33 4.34 1.0 Allowed 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -174.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -122.0 -42.23 0.45 Allowed Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.738 1.637 . . . . 0.0 112.98 176.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 5.8 p -70.96 -24.97 62.52 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 118.352 1.076 . . . . 0.0 113.481 173.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -106.19 -3.72 21.05 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.42 -41.18 65.76 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 120.099 1.318 . . . . 0.0 114.522 -171.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 15.0 p -64.89 -34.61 78.79 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.325 1.05 . . . . 0.0 112.788 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 43.3 mt -74.35 -37.6 63.46 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.455 1.102 . . . . 0.0 111.286 175.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -60.8 -44.68 96.54 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.391 0.996 . . . . 0.0 111.045 170.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -60.22 -38.77 84.4 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.621 0.768 . . . . 0.0 111.971 171.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 15.1 tp -69.36 -57.52 5.19 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.087 -1.008 . . . . 0.0 111.87 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -73.7 -12.44 60.73 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -176.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 78.4 m -109.7 -90.35 0.47 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.032 0.933 . . . . 0.0 110.538 167.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -51.7 -34.61 39.44 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 116.196 1.925 . . . . 0.0 116.196 -167.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -87.02 -53.24 4.98 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.381 1.072 . . . . 0.0 113.77 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 52.4 mt -105.44 -33.24 8.2 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.067 1.347 . . . . 0.0 113.223 -170.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 41.94 31.02 0.2 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 128.152 2.581 . . . . 0.0 115.437 -174.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -57.72 145.85 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 O-C-N 121.267 -0.896 . . . . 0.0 110.772 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -58.57 130.6 85.09 Favored Pre-proline 0 CA--C 1.549 0.927 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -160.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.73 -37.45 56.35 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 122.572 2.182 . . . . 0.0 114.354 -164.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.97 -27.9 6.06 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.369 -1.457 . . . . 0.0 114.381 171.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.9 -34.97 77.01 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.147 -0.971 . . . . 0.0 112.06 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 103' ' ' PHE . . . . . 0.572 ' CE1' ' HB1' ' D' ' 138' ' ' ALA . 1.3 p90 -64.25 -41.19 97.06 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.791 1.632 . . . . 0.0 111.065 175.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -63.3 -47.1 83.68 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.973 0.509 . . . . 0.0 109.819 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 96.8 mt -56.03 -49.25 74.22 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.826 174.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -43.37 98.15 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.566 1.075 . . . . 0.0 110.74 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.67 -56.21 26.33 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 124.217 0.913 . . . . 0.0 113.986 176.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.91 -40.35 88.51 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.179 0.99 . . . . 0.0 111.036 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 13.7 t -59.89 -42.51 89.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 118.499 -0.762 . . . . 0.0 112.512 175.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 6.9 tp -57.16 -52.57 64.76 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 118.608 0.64 . . . . 0.0 110.637 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 111' ' ' VAL . . . . . 0.416 HG12 ' HB3' ' D' ' 130' ' ' TYR . 0.9 OUTLIER -55.33 -39.09 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 CA-C-N 118.575 0.625 . . . . 0.0 109.826 -177.611 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 10.6 t -73.05 -33.33 65.63 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 113' ' ' VAL . . . . . 0.609 HG11 ' HB2' ' D' ' 27' ' ' ALA . 1.6 p -61.67 -37.6 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 121.136 1.789 . . . . 0.0 111.719 171.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 mt -64.11 -35.75 81.77 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.922 -0.486 . . . . 0.0 110.076 177.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.19 -34.26 74.63 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 170.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -59.15 -60.31 4.06 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 120.413 1.461 . . . . 0.0 110.198 168.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -71.09 -26.22 62.95 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -167.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -130.55 40.57 3.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.468 1.107 . . . . 0.0 112.271 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -55.5 -5.21 0.74 Allowed Glycine 0 CA--C 1.541 1.659 0 C-N-CA 126.369 1.938 . . . . 0.0 117.41 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -85.28 -21.72 28.89 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.732 1.266 . . . . 0.0 113.117 170.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -135.64 6.13 3.2 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.792 1.637 . . . . 0.0 113.174 -170.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -61.62 29.99 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 128.974 2.91 . . . . 0.0 117.027 176.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 16.2 p -42.31 147.9 0.55 Allowed Pre-proline 0 N--CA 1.482 1.136 0 C-N-CA 125.836 1.654 . . . . 0.0 115.263 -167.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -43.62 -46.89 9.94 Favored 'Trans proline' 0 CA--C 1.547 1.162 0 C-N-CA 122.687 2.258 . . . . 0.0 114.64 171.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.45 -32.91 18.91 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 121.706 1.604 . . . . 0.0 114.745 173.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.33 -39.57 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 122.288 2.313 . . . . 0.0 112.093 177.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -63.4 -41.56 98.75 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.261 0.624 . . . . 0.0 110.815 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.56 -41.21 96.47 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 173.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . 0.489 ' HB2' ' HG2' ' D' ' 7' ' ' GLU . . . -59.36 -47.58 84.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 119.139 0.882 . . . . 0.0 111.959 172.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 130' ' ' TYR . . . . . 0.427 ' CE2' HG23 ' D' ' 11' ' ' VAL . 10.6 m-85 -52.19 -50.25 62.25 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 118.826 -0.607 . . . . 0.0 111.043 167.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -57.29 -37.93 73.19 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.4 1.0 . . . . 0.0 113.508 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -72.33 -44.03 63.24 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 120.473 1.488 . . . . 0.0 112.359 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 23.1 m -63.23 -38.54 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 CA-C-N 119.822 1.192 . . . . 0.0 111.051 172.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 22.5 t -61.08 -43.27 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.972 1.309 . . . . 0.0 111.955 172.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -69.99 -34.99 74.04 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.569 1.077 . . . . 0.0 112.407 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -61.89 -49.09 79.21 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 121.445 -0.785 . . . . 0.0 111.365 167.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 22.3 t -56.9 -46.17 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 123.732 0.813 . . . . 0.0 112.187 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . 0.572 ' HB1' ' CE1' ' D' ' 103' ' ' PHE . . . -51.55 -54.71 24.58 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.356 1.063 . . . . 0.0 112.007 173.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -58.78 -39.97 82.61 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 176.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.44 -50.42 67.62 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.703 0.683 . . . . 0.0 112.331 177.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.59 -42.36 99.52 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.181 0.9 . . . . 0.0 111.549 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.45 -11.78 36.89 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -62.75 -18.26 62.3 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 120.423 1.465 . . . . 0.0 114.275 -173.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -87.29 1.78 52.18 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.324 1.45 . . . . 0.0 113.863 171.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -136.16 -18.16 1.56 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.858 1.663 . . . . 0.0 114.744 -177.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 79.2 m80 . . . . . 0 C--O 1.257 1.489 0 C-N-CA 128.354 2.662 . . . . 0.0 114.079 179.071 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.435 HBB3 HD21 ' A' ' 101' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 201' ' ' HEC . . . . . 0.54 ' HHC' HBB3 ' B' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 201' ' ' HEC . . . . . 0.452 HBB3 HD21 ' C' ' 101' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 201' ' ' HEC . . . . . 0.54 ' HHC' HBB3 ' D' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.512 2.647 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mp -147.81 176.07 10.42 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 126.551 1.941 . . . . 0.0 111.408 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.76 151.48 71.09 Favored Pre-proline 0 N--CA 1.478 0.973 0 CA-C-N 119.289 0.95 . . . . 0.0 112.132 175.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -51.3 -43.12 51.12 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.162 3.241 . . . . 0.0 114.868 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.38 93.83 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 122.832 0.453 . . . . 0.0 111.457 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -58.08 -45.38 87.26 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 122.987 0.515 . . . . 0.0 110.805 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -58.92 -51.57 69.47 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.76 0.824 . . . . 0.0 109.956 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.1 m -57.13 -47.18 81.76 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.103 0.865 . . . . 0.0 112.041 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -61.83 -43.34 99.05 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.101 0.56 . . . . 0.0 111.606 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 36.5 t -63.25 -47.41 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 124.53 1.132 . . . . 0.0 112.217 175.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.64 -44.37 96.46 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.568 1.077 . . . . 0.0 111.07 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -52.21 66.59 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.113 0.565 . . . . 0.0 111.222 174.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.31 -52.36 63.72 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.0 0.92 . . . . 0.0 112.133 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -62.94 -29.24 70.64 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.661 0.785 . . . . 0.0 113.065 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.58 -41.91 99.66 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.494 1.045 . . . . 0.0 113.323 169.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -33.13 67.77 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.502 1.151 . . . . 0.0 111.898 172.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.84 -49.2 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 123.604 0.761 . . . . 0.0 111.489 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.48 -139.63 9.01 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 123.854 0.74 . . . . 0.0 113.844 -177.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.41 -21.13 59.5 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 114.468 1.285 . . . . 0.0 114.468 177.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -67.27 -10.25 48.81 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.35 -47.06 37.33 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.452 1.101 . . . . 0.0 113.501 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.27 -36.2 92.91 Favored Glycine 0 C--N 1.341 0.855 0 CA-C-O 119.742 -0.476 . . . . 0.0 113.169 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -62.27 -50.59 71.11 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.93 0.892 . . . . 0.0 110.451 172.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -63.98 -37.43 87.39 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 122.988 0.515 . . . . 0.0 111.977 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.52 -50.52 58.79 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 124.016 0.817 . . . . 0.0 112.814 172.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.36 -48.23 77.25 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.592 1.196 . . . . 0.0 111.568 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -62.26 -37.89 87.19 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.881 0.873 . . . . 0.0 112.851 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.03 -39.93 87.12 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 119.31 0.959 . . . . 0.0 111.964 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.4 mt -64.02 -51.05 66.03 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.978 0.911 . . . . 0.0 110.909 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.07 -50.11 73.77 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.678 0.391 . . . . 0.0 110.709 175.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -50.98 -48.6 61.13 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 117.832 -1.08 . . . . 0.0 111.732 173.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -55.62 -40.23 71.85 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.289 0.949 . . . . 0.0 112.938 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -66.4 -32.42 73.79 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.181 1.355 . . . . 0.0 114.292 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.424 ' H ' ' HG ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -90.91 -35.24 14.85 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 177.365 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.0 p -76.7 -34.72 58.15 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.41 1.084 . . . . 0.0 112.39 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.14 66.3 59.61 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 125.585 1.554 . . . . 0.0 109.506 -175.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -45.6 -28.48 4.38 Favored 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 124.534 3.49 . . . . 0.0 115.557 -171.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -41.27 -36.25 0.76 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.238 1.415 . . . . 0.0 113.804 170.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.6 p -65.45 -26.99 68.2 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 119.89 -1.756 . . . . 0.0 114.929 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -28.28 69.55 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 120.343 1.429 . . . . 0.0 112.143 168.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -23.23 67.24 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.328 1.051 . . . . 0.0 112.993 176.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -68.53 -7.81 35.73 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 173.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 t80 63.42 58.31 2.0 Allowed Pre-proline 0 CA--C 1.56 1.339 0 C-N-CA 124.97 1.308 . . . . 0.0 113.744 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -56.66 169.52 1.72 Allowed 'Trans proline' 0 CA--C 1.546 1.078 0 C-N-CA 123.943 3.095 . . . . 0.0 115.125 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -128.54 6.42 5.7 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.575 1.695 . . . . 0.0 115.575 -173.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -81.26 23.02 0.62 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -172.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.93 -39.91 0.27 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 128.362 2.665 . . . . 0.0 115.69 -173.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.0 mt 56.68 18.93 3.96 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 127.44 2.296 . . . . 0.0 114.911 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.9 m -70.38 20.99 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 127.484 2.314 . . . . 0.0 115.938 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 61.81 141.56 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 128.027 2.531 . . . . 0.0 113.723 -162.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.9 32.91 67.01 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.34 0.972 . . . . 0.0 114.612 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 t -53.24 121.23 7.14 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.574 1.15 . . . . 0.0 113.432 -172.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.17 -21.02 65.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.975 0.91 . . . . 0.0 113.17 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -80.83 -41.57 23.03 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.674 -0.641 . . . . 0.0 110.593 174.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.7 t -62.52 -43.88 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 O-C-N 121.446 -0.784 . . . . 0.0 111.964 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -61.5 -40.85 96.1 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 119.818 1.19 . . . . 0.0 112.512 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.66 -53.23 32.68 Favored Glycine 0 N--CA 1.47 0.924 0 C-N-CA 124.377 0.989 . . . . 0.0 111.583 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -52.24 -46.55 65.78 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.592 0.757 . . . . 0.0 111.481 172.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.11 -46.01 62.53 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.221 0.915 . . . . 0.0 114.282 173.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -37.36 78.39 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 119.205 1.502 . . . . 0.0 112.731 172.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.432 ' HB3' HMA3 ' A' ' 201' ' ' HEC . 18.0 mmtt -72.88 -42.92 63.12 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.603 0.761 . . . . 0.0 110.835 179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.3 t -54.59 -47.09 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 119.346 0.976 . . . . 0.0 110.716 168.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.03 83.6 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -62.21 -38.31 88.64 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.967 0.803 . . . . 0.0 112.136 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.68 -38.36 87.5 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 170.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.76 -46.36 88.38 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.595 0.758 . . . . 0.0 111.303 170.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.8 m -57.28 -43.99 83.62 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.713 1.142 . . . . 0.0 112.011 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -60.17 -43.88 95.49 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.44 1.096 . . . . 0.0 111.397 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.81 -42.52 97.82 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 118.318 -0.849 . . . . 0.0 112.167 172.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.9 t -62.97 -46.6 95.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 119.994 1.27 . . . . 0.0 111.397 174.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.02 -28.07 69.32 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.304 1.441 . . . . 0.0 113.65 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -129.68 36.23 4.1 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 125.507 1.523 . . . . 0.0 111.689 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.5 p -66.64 -11.9 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 120.103 -1.623 . . . . 0.0 114.686 -171.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -88.5 -10.2 49.8 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 120.438 -1.414 . . . . 0.0 114.098 168.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -140.42 2.36 1.84 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.072 1.749 . . . . 0.0 114.191 -165.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . 0.328 0.0 OUTLIER -63.92 -17.29 0.4 Allowed Pre-proline 0 CA--C 1.545 0.777 0 CA-C-O 114.609 -2.615 . . . . 0.0 117.848 -177.664 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.482 ' HA ' HG13 ' A' ' 135' ' ' VAL . 4.4 Cg_exo -38.05 -29.44 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 124.995 3.797 . . . . 0.0 118.482 171.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -115.37 -16.12 11.48 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.01 -17.74 63.96 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 120.555 -1.341 . . . . 0.0 114.388 177.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.6 mt -100.28 10.21 41.56 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.937 0.895 . . . . 0.0 112.573 171.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.9 t -55.62 -41.51 73.6 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.394 1.078 . . . . 0.0 113.083 -178.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.3 -27.17 67.08 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.034 -1.041 . . . . 0.0 113.481 173.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mt -82.63 -38.84 22.96 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.865 0.866 . . . . 0.0 111.033 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.0 t -55.01 -44.93 75.02 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 119.301 -0.381 . . . . 0.0 110.811 162.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -61.14 -50.33 73.64 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.849 0.86 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.71 -38.07 80.62 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.326 -0.859 . . . . 0.0 112.023 175.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -68.05 -65.64 0.67 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.458 0.572 . . . . 0.0 109.987 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.77 -51.37 56.83 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.386 1.474 . . . . 0.0 113.033 -174.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -73.44 -3.83 29.9 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -174.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -139.63 -44.48 0.44 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -172.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.76 -41.84 0.28 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 -167.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 48.09 37.74 8.48 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.701 1.6 . . . . 0.0 114.284 165.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.4 t -56.08 139.68 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.675 1.19 . . . . 0.0 110.271 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.61 132.94 93.24 Favored Pre-proline 0 CA--C 1.544 0.712 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -173.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -39.6 -31.24 0.38 Allowed 'Trans proline' 0 C--N 1.353 0.784 1 C-N-CA 126.324 4.683 . . . . 0.0 117.765 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.0 t -44.1 -34.58 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 121.703 2.047 . . . . 0.0 112.734 171.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.573 ' HB3' HMC1 ' A' ' 201' ' ' HEC . 36.2 m-80 -56.89 -36.93 70.7 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 174.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 133' ' ' SER . 0.0 OUTLIER -54.69 -44.53 73.47 Favored 'General case' 0 C--O 1.221 -0.428 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 171.688 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -61.35 -36.76 81.09 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.444 0.698 . . . . 0.0 110.492 -170.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 mt -65.15 -55.37 19.05 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.388 1.475 . . . . 0.0 109.775 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.403 HD23 HMC3 ' A' ' 201' ' ' HEC . 0.1 OUTLIER -59.01 -37.66 77.42 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.782 0.833 . . . . 0.0 111.366 177.06 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.3 m -73.49 -36.96 65.87 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.898 1.279 . . . . 0.0 114.227 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -56.4 -46.73 80.01 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.147 0.885 . . . . 0.0 110.548 162.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 74.3 m -62.91 -38.59 91.56 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.709 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.0 mt -57.5 -55.87 29.28 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 124.401 1.08 . . . . 0.0 110.349 168.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.3 mt -52.2 -38.56 58.27 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.851 1.205 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.2 t -58.93 -56.42 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.138 0.975 . . . . 0.0 112.348 169.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -36.18 81.43 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.433 1.015 . . . . 0.0 111.995 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.6 mt -59.52 -59.58 5.22 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 123.92 0.888 . . . . 0.0 108.614 172.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.09 -27.19 19.17 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.882 1.219 . . . . 0.0 114.276 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.15 -29.1 31.78 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 176.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -131.8 -18.28 2.74 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -166.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 tt -105.14 128.47 26.58 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 128.408 2.683 . . . . 0.0 106.655 173.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -69.83 74.44 1.32 Allowed 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 122.996 2.464 . . . . 0.0 110.681 170.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.36 -15.72 63.84 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.287 1.035 . . . . 0.0 112.545 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 56.94 9.62 0.65 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.932 1.693 . . . . 0.0 113.344 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 8.9 p90 44.0 24.53 0.08 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 128.666 2.786 . . . . 0.0 115.048 177.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.57 160.21 77.76 Favored Pre-proline 0 N--CA 1.468 0.465 0 C-N-CA 125.068 1.347 . . . . 0.0 111.088 -175.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -59.51 -44.81 29.77 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 121.843 1.695 . . . . 0.0 112.346 168.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.9 -49.03 76.8 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 117.98 0.354 . . . . 0.0 111.062 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.9 t -75.04 -50.68 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 120.661 -1.275 . . . . 0.0 112.31 -177.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -65.92 -41.2 91.68 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 120.625 -1.297 . . . . 0.0 111.557 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.56 -57.6 9.62 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.05 173.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 91.4 p -55.5 -43.48 75.7 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 117.155 -1.402 . . . . 0.0 112.714 -175.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.74 -49.28 66.48 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 120.574 1.534 . . . . 0.0 111.132 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -59.25 -50.57 73.51 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.555 1.07 . . . . 0.0 112.204 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -28.76 64.67 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -63.07 -49.04 76.08 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 119.73 1.15 . . . . 0.0 110.422 169.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.45 -33.38 75.44 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.194 0.906 . . . . 0.0 111.092 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.18 -39.54 86.82 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 119.632 1.106 . . . . 0.0 113.112 167.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.3 t -66.56 -45.28 79.87 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.727 -1.233 . . . . 0.0 112.655 173.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 64.0 t -54.08 -45.85 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.021 0.928 . . . . 0.0 109.899 171.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.432 ' HB2' ' CD1' ' A' ' 98' ' ' PHE . 32.1 t -60.29 -54.6 43.84 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.667 1.187 . . . . 0.0 113.632 174.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 21.2 m -50.54 -42.27 55.0 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.531 1.06 . . . . 0.0 110.547 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.482 HG13 ' HA ' ' A' ' 77' ' ' PRO . 70.7 t -68.88 -47.14 77.56 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 118.316 -0.85 . . . . 0.0 112.801 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -29.19 65.48 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.627 1.558 . . . . 0.0 112.925 174.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 89.2 m -76.56 -15.21 59.91 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 128.042 2.537 . . . . 0.0 113.034 175.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.4 m -119.4 157.87 27.32 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.273 1.429 . . . . 0.0 112.748 -173.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.58 -30.36 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 -173.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -145.17 120.34 10.14 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 125.742 1.617 . . . . 0.0 109.521 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 . . . . . 0 C--O 1.256 1.415 0 C-N-CA 125.549 1.54 . . . . 0.0 113.936 -175.068 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.32 3.5 p . . . . . 0 N--CA 1.516 2.864 0 CA-C-O 116.928 -1.511 . . . . 0.0 112.787 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 22.27 73.47 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 127.831 2.453 . . . . 0.0 115.227 -176.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.29 163.31 13.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.932 0.493 . . . . 0.0 111.731 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.56 152.03 90.48 Favored Pre-proline 0 N--CA 1.48 1.041 0 CA-C-O 118.504 -0.76 . . . . 0.0 109.581 166.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -53.51 -38.41 83.38 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.881 2.387 . . . . 0.0 114.658 173.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -71.79 -43.22 66.05 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.534 -0.729 . . . . 0.0 112.216 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.51 -42.87 95.54 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.679 -0.638 . . . . 0.0 111.364 175.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.09 -52.86 59.63 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.792 1.237 . . . . 0.0 110.827 170.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -54.19 -45.91 72.26 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 118.722 0.692 . . . . 0.0 111.353 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.04 -52.77 64.14 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.56 HG23 ' CE1' ' B' ' 130' ' ' TYR . 4.0 p -65.12 -50.16 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-N 119.76 1.164 . . . . 0.0 112.467 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -70.68 -36.07 73.14 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.167 0.894 . . . . 0.0 112.171 -172.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.26 -37.7 88.43 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.503 1.047 . . . . 0.0 111.989 172.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.92 -39.4 87.35 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.44 -0.788 . . . . 0.0 111.202 172.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -25.8 61.34 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 164.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.82 -38.89 85.83 Favored Glycine 0 CA--C 1.535 1.284 0 CA-C-N 118.847 0.749 . . . . 0.0 113.239 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -89.49 -19.4 25.12 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -53.6 133.73 16.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 124.34 1.056 . . . . 0.0 113.139 -169.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -87.19 85.03 7.17 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.937 0.895 . . . . 0.0 108.851 174.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.4 t -52.26 -35.56 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 124.305 1.042 . . . . 0.0 113.485 -169.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -44.09 86.41 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.944 1.297 . . . . 0.0 113.046 174.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -95.51 -38.39 10.46 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.658 -0.651 . . . . 0.0 111.444 -167.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -34.98 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 O-C-N 121.382 -0.824 . . . . 0.0 110.613 165.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.29 -46.81 67.79 Favored Glycine 0 N--CA 1.468 0.797 0 CA-C-O 119.478 -0.623 . . . . 0.0 111.61 174.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.32 -42.83 95.75 Favored Glycine 0 N--CA 1.47 0.931 0 CA-C-N 118.044 0.922 . . . . 0.0 113.746 170.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -64.5 -38.27 90.42 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 123.533 0.733 . . . . 0.0 112.195 173.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.95 -51.49 39.12 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 119.605 1.093 . . . . 0.0 111.801 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.449 HD21 ' CD2' ' B' ' 63' ' ' HIS . 1.0 OUTLIER -75.77 -22.44 56.43 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.37 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.576 ' O ' HG13 ' B' ' 33' ' ' VAL . . . -68.93 -58.93 6.32 Favored Glycine 0 N--CA 1.464 0.541 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 164.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.527 ' HA ' HG22 ' B' ' 33' ' ' VAL . 39.6 mtt180 -53.87 -33.98 58.03 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.65 -1.5 . . . . 0.0 112.623 176.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.457 ' HA ' HG21 ' B' ' 109' ' ' VAL . 58.9 tp -49.85 -39.77 40.19 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.504 1.122 . . . . 0.0 113.184 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.04 -11.19 8.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 118.624 -0.703 . . . . 0.0 112.217 -168.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.576 HG13 ' O ' ' B' ' 29' ' ' GLY . 15.2 m -62.34 -24.86 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 119.598 1.09 . . . . 0.0 111.8 166.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -58.68 1.53 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 173.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.69 38.19 0.45 Allowed Pre-proline 0 CA--C 1.557 1.22 0 C-N-CA 126.533 1.933 . . . . 0.0 114.397 -168.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -77.51 178.92 7.03 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 122.809 2.339 . . . . 0.0 110.733 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 13.9 p90 -50.09 -31.74 14.03 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 120.918 -1.114 . . . . 0.0 113.063 167.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.27 -25.12 61.41 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.855 1.262 . . . . 0.0 113.956 174.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -27.1 59.94 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.221 0.919 . . . . 0.0 111.153 173.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 ptt-85 -48.9 -38.91 24.06 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.925 1.239 . . . . 0.0 113.894 174.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.04 0.33 45.38 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.603 1.161 . . . . 0.0 112.087 -174.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.57 -35.2 40.16 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.528 -1.358 . . . . 0.0 114.513 177.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -59.92 -16.42 29.49 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 18.1 t -85.0 -23.44 28.67 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.756 ' HB2' HD11 ' B' ' 48' ' ' LEU . 12.0 m-85 -96.15 -2.59 46.11 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.893 -1.129 . . . . 0.0 113.344 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.1 31.51 75.06 Favored Glycine 0 N--CA 1.478 1.459 0 N-CA-C 116.321 1.288 . . . . 0.0 116.321 162.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.556 ' C ' HD12 ' B' ' 48' ' ' LEU . 0.5 OUTLIER -165.76 -129.6 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.85 1.66 . . . . 0.0 108.715 -172.797 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' B' ' 45' ' ' PHE . 0.2 OUTLIER 63.3 -8.06 0.15 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 127.855 2.462 . . . . 0.0 116.71 168.407 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 41.8 m -57.0 -18.41 13.57 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.302 1.841 . . . . 0.0 114.401 172.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 1.4 p -141.16 162.69 46.57 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 125.748 1.619 . . . . 0.0 110.78 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -55.48 -54.65 3.94 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.825 2.35 . . . . 0.0 112.082 172.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -61.74 -39.29 91.06 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.011 0.925 . . . . 0.0 111.853 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.07 -46.81 78.84 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 123.22 0.608 . . . . 0.0 110.913 173.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.467 HG11 ' CG1' ' B' ' 33' ' ' VAL . 0.3 OUTLIER -70.93 -46.56 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 119.964 1.256 . . . . 0.0 113.35 -178.644 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 1.7 mtt -70.43 -23.3 62.7 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.801 0.728 . . . . 0.0 112.037 -173.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.58 -11.0 49.01 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.884 1.231 . . . . 0.0 115.268 174.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -61.6 120.16 53.65 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-N 119.882 1.841 . . . . 0.0 111.658 -176.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -63.72 -24.76 68.84 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.91 2.407 . . . . 0.0 113.488 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -76.11 -47.27 25.06 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.029 1.286 . . . . 0.0 112.885 -178.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -66.4 -34.1 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 CA-C-N 119.264 0.938 . . . . 0.0 112.444 170.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -57.86 -57.51 12.47 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.465 1.03 . . . . 0.0 111.419 167.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.75 -50.84 69.31 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.414 1.486 . . . . 0.0 112.905 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' HIS . . . . . 0.449 ' CD2' HD21 ' B' ' 28' ' ' LEU . 0.9 OUTLIER -64.63 -33.98 77.2 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.53 -0.732 . . . . 0.0 111.674 174.786 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.79 -40.48 64.38 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 125.386 1.469 . . . . 0.0 112.815 168.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.28 -41.02 98.96 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.766 -0.844 . . . . 0.0 111.777 173.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -63.7 -52.41 60.69 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.443 0.697 . . . . 0.0 111.105 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.408 HG12 ' C1B' ' B' ' 201' ' ' HEC . 30.7 m -59.48 -46.93 92.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 122.591 0.356 . . . . 0.0 111.029 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.38 -38.26 68.53 Favored 'General case' 0 C--O 1.224 -0.275 0 O-C-N 121.26 -0.9 . . . . 0.0 111.768 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.07 -42.6 55.02 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.009 0.814 . . . . 0.0 111.64 172.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.97 -47.27 81.05 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 170.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.449 ' CE2' HD23 ' B' ' 110' ' ' LEU . 2.3 m-30 -55.46 -37.07 67.28 Favored 'General case' 0 CA--C 1.554 1.098 0 O-C-N 120.195 -1.566 . . . . 0.0 111.655 175.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.1 t -67.72 -42.89 81.24 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.335 1.454 . . . . 0.0 113.254 172.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -56.15 -31.58 63.48 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.01 0.823 . . . . 0.0 111.886 167.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.25 -61.97 6.35 Favored Glycine 0 C--N 1.337 0.637 0 C-N-CA 124.482 1.039 . . . . 0.0 110.986 169.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 mt -54.13 -27.81 35.76 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.88 -27.35 54.99 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 172.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -143.03 54.8 1.37 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.221 1.808 . . . . 0.0 112.477 -171.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.06 -11.49 59.09 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.809 -1.182 . . . . 0.0 113.813 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -59.29 -38.47 80.28 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.895 1.278 . . . . 0.0 113.661 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -153.91 107.47 2.96 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.537 1.535 . . . . 0.0 110.374 175.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.3 mt -83.01 -21.76 33.79 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 173.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -69.31 -7.59 38.46 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.575 -1.328 . . . . 0.0 113.888 -174.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -115.71 -46.42 0.56 Allowed Glycine 0 CA--C 1.536 1.367 0 C-N-CA 125.779 1.657 . . . . 0.0 113.577 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.2 p -60.67 -26.75 67.32 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 118.669 1.235 . . . . 0.0 113.386 173.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -108.55 -1.98 19.25 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 118.012 -0.994 . . . . 0.0 113.362 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.74 -38.8 67.58 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 120.637 1.562 . . . . 0.0 114.239 -174.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 6.5 p -64.38 -35.48 81.03 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.426 1.09 . . . . 0.0 112.666 172.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 45.3 mt -73.03 -39.63 65.8 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.821 0.848 . . . . 0.0 111.046 173.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 1.5 m -56.26 -47.86 77.71 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.827 -1.171 . . . . 0.0 111.077 171.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -62.41 -43.92 97.68 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.978 1.311 . . . . 0.0 112.83 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 44.6 tp -58.8 -53.06 62.6 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.29 -0.881 . . . . 0.0 111.84 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -77.12 6.06 7.16 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 18.8 p -119.63 -76.49 0.58 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.724 0.693 . . . . 0.0 110.988 161.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.38 -22.78 65.28 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 115.211 1.559 . . . . 0.0 115.211 -167.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.26 -28.6 11.79 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.159 0.984 . . . . 0.0 113.126 173.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 52.5 mt -142.11 38.05 1.58 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.703 1.201 . . . . 0.0 113.438 -163.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -6.07 -60.45 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 118.816 2.895 . . . . 0.0 118.816 -167.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 2.7 p 24.41 98.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 129.204 3.002 . . . . 0.0 116.089 173.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -9.48 110.41 0.04 OUTLIER Pre-proline 0 CA--C 1.553 1.088 0 C-N-CA 125.465 1.506 . . . . 0.0 114.861 155.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -53.2 -24.5 26.54 Favored 'Trans proline' 0 CA--C 1.547 1.147 0 C-N-CA 122.231 1.954 . . . . 0.0 114.494 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -46.29 -36.09 5.92 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 119.445 -2.034 . . . . 0.0 114.296 166.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -68.24 -27.45 66.36 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 117.549 -1.215 . . . . 0.0 114.214 174.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . 0.681 ' CE1' ' HB1' ' B' ' 138' ' ' ALA . 0.3 OUTLIER -60.4 -40.85 92.43 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 121.069 1.759 . . . . 0.0 109.355 166.11 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . 0.401 ' N ' ' CD1' ' B' ' 103' ' ' PHE . 31.0 ttp85 -71.77 -42.68 66.87 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.876 -0.515 . . . . 0.0 110.509 -168.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 mp -54.67 -46.3 74.04 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.606 166.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.458 HD13 HBB2 ' B' ' 201' ' ' HEC . 0.6 OUTLIER -56.28 -44.43 79.78 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.86 1.209 . . . . 0.0 112.028 176.066 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.64 -60.67 8.49 Favored Glycine 0 CA--C 1.523 0.59 0 C-N-CA 123.002 0.334 . . . . 0.0 113.371 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -56.21 -34.94 66.75 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.741 0.817 . . . . 0.0 112.484 178.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.457 HG21 ' HA ' ' B' ' 31' ' ' LEU . 43.0 t -71.09 -46.71 65.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 121.05 -1.031 . . . . 0.0 111.613 176.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.449 HD23 ' CE2' ' B' ' 71' ' ' PHE . 51.1 tp -58.22 -41.39 83.95 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.816 1.189 . . . . 0.0 111.439 -178.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 m -65.14 -30.55 50.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 121.21 -0.931 . . . . 0.0 111.659 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 29.6 t -71.95 -39.4 69.4 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.146 -0.971 . . . . 0.0 113.339 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -41.99 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 120.381 -1.449 . . . . 0.0 111.834 171.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.8 -39.7 89.89 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.288 0.495 . . . . 0.0 110.728 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.38 -28.94 63.64 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 169.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -79.15 -56.24 4.51 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 120.623 1.556 . . . . 0.0 112.849 171.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.09 -24.92 66.79 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -170.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -134.36 27.67 3.75 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.34 1.456 . . . . 0.0 112.503 -176.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -51.09 -39.88 42.59 Favored Glycine 0 N--CA 1.475 1.253 0 N-CA-C 116.806 1.482 . . . . 0.0 116.806 -168.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -67.52 -13.96 62.52 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -114.87 1.14 13.98 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.984 2.113 . . . . 0.0 111.313 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -94.21 68.04 3.62 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.083 1.353 . . . . 0.0 112.08 -174.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 30.8 p -57.73 156.69 16.99 Favored Pre-proline 0 N--CA 1.474 0.761 0 C-N-CA 124.364 1.065 . . . . 0.0 112.332 -175.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -46.46 -52.64 7.07 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 121.728 1.619 . . . . 0.0 113.226 168.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -64.35 -28.83 63.25 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 CA-C-O 116.673 -1.47 . . . . 0.0 114.231 177.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.5 -42.45 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 122.116 2.234 . . . . 0.0 110.977 174.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.16 -50.0 75.41 Favored 'General case' 0 N--CA 1.461 0.09 0 O-C-N 121.697 -0.627 . . . . 0.0 110.48 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.62 -23.33 66.79 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.65 -49.45 47.31 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.56 ' CE1' HG23 ' B' ' 11' ' ' VAL . 61.3 m-85 -53.81 -48.71 69.61 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.24 166.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -56.34 -36.99 69.37 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.716 1.144 . . . . 0.0 112.371 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -71.88 -43.32 65.62 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.967 1.258 . . . . 0.0 114.345 173.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.56 -45.76 90.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 CA-C-N 120.868 1.667 . . . . 0.0 109.96 173.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 50.2 t -78.65 -29.19 14.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 CA-C-O 117.51 -1.233 . . . . 0.0 112.192 -171.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.82 -36.22 83.64 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 121.121 1.782 . . . . 0.0 112.166 166.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -65.71 -49.44 59.55 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 121.04 -1.038 . . . . 0.0 112.358 168.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -44.23 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.331 1.053 . . . . 0.0 111.572 179.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . 0.681 ' HB1' ' CE1' ' B' ' 103' ' ' PHE . . . -51.44 -58.6 5.83 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 127.066 2.146 . . . . 0.0 112.091 170.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -57.55 -36.52 71.74 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.225 0.61 . . . . 0.0 112.119 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.36 75.12 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.724 -0.655 . . . . 0.0 112.572 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.78 -38.42 90.94 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 120.952 1.706 . . . . 0.0 111.848 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.91 -11.87 42.76 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.423 1.489 . . . . 0.0 113.896 171.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -57.03 -30.08 63.92 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 120.539 1.518 . . . . 0.0 113.609 -176.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -87.29 5.22 39.48 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 175.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.32 -17.41 4.24 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 126.395 1.878 . . . . 0.0 113.386 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.255 1.369 0 C-N-CA 129.256 3.022 . . . . 0.0 117.613 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.51 2.568 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mp -147.82 175.98 10.5 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 126.654 1.982 . . . . 0.0 111.363 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.64 151.57 71.53 Favored Pre-proline 0 N--CA 1.481 1.082 0 CA-C-N 119.11 0.868 . . . . 0.0 112.123 175.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.37 -42.98 52.28 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 124.046 3.164 . . . . 0.0 114.985 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.37 94.11 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.76 0.424 . . . . 0.0 111.443 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -58.01 -45.46 86.85 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 122.943 0.497 . . . . 0.0 110.807 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -58.99 -51.46 69.99 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.64 0.776 . . . . 0.0 109.888 176.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 58.5 m -57.29 -47.12 82.31 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.15 0.886 . . . . 0.0 112.004 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -61.82 -43.45 98.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.067 0.547 . . . . 0.0 111.539 177.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 37.1 t -63.13 -47.34 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 124.499 1.12 . . . . 0.0 112.283 175.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.79 -44.16 97.17 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.597 1.089 . . . . 0.0 111.142 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.4 -52.42 65.68 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.265 0.626 . . . . 0.0 111.203 174.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.24 -52.37 63.62 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.043 0.937 . . . . 0.0 112.138 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -63.07 -29.11 70.56 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.646 0.779 . . . . 0.0 113.02 177.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.74 -41.83 99.66 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.447 1.022 . . . . 0.0 113.245 169.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.99 -33.11 67.85 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 118.614 1.207 . . . . 0.0 111.805 172.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 97.7 t -60.99 -49.1 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.707 0.803 . . . . 0.0 111.515 174.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.54 -139.68 9.11 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 123.686 0.66 . . . . 0.0 113.869 -177.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.31 -21.35 59.59 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 177.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -67.05 -10.52 50.73 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.35 -47.0 37.4 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.297 1.039 . . . . 0.0 113.586 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.29 -36.05 92.73 Favored Glycine 0 N--CA 1.47 0.922 0 CA-C-O 119.81 -0.439 . . . . 0.0 113.177 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -62.49 -50.48 71.26 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.013 0.925 . . . . 0.0 110.347 172.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -64.16 -37.26 86.83 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 121.867 -0.521 . . . . 0.0 111.976 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.69 -50.43 58.81 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 123.987 0.804 . . . . 0.0 112.779 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.32 -48.08 77.44 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.613 1.206 . . . . 0.0 111.695 175.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -62.57 -37.73 87.31 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 123.843 0.857 . . . . 0.0 112.793 175.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.94 -40.12 87.48 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 119.432 1.015 . . . . 0.0 111.919 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 60.1 mt -64.0 -50.92 66.61 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.015 0.926 . . . . 0.0 110.883 175.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -50.15 73.61 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.861 0.464 . . . . 0.0 110.786 175.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -51.04 -48.61 61.46 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 117.837 -1.078 . . . . 0.0 111.735 173.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -55.75 -40.13 72.13 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.204 0.911 . . . . 0.0 112.901 177.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -66.38 -32.27 73.56 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 120.176 1.353 . . . . 0.0 114.324 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.443 ' H ' ' HG ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -91.1 -35.24 14.71 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 177.37 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 67.8 p -76.74 -34.72 58.08 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.455 1.102 . . . . 0.0 112.364 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.08 66.43 59.49 Favored Pre-proline 0 CA--C 1.54 0.593 0 C-N-CA 125.668 1.587 . . . . 0.0 109.513 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -45.66 -28.52 4.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 124.523 3.482 . . . . 0.0 115.669 -172.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -41.0 -36.35 0.65 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.242 1.417 . . . . 0.0 113.872 170.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 23.9 p -65.69 -26.89 67.98 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.022 -1.674 . . . . 0.0 114.739 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -28.14 69.49 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 120.389 1.45 . . . . 0.0 112.151 168.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -23.17 67.21 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.317 1.047 . . . . 0.0 112.976 176.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -68.51 -7.79 35.46 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 173.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 t80 63.29 58.43 2.05 Favored Pre-proline 0 CA--C 1.558 1.259 0 C-N-CA 124.998 1.319 . . . . 0.0 113.741 -177.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -56.73 169.58 1.73 Allowed 'Trans proline' 0 CA--C 1.546 1.092 0 C-N-CA 123.985 3.123 . . . . 0.0 115.117 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.41 6.26 5.77 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -173.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -81.35 23.12 0.63 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 -172.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.07 -40.09 0.28 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 128.333 2.653 . . . . 0.0 115.709 -173.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 31.6 mt 56.74 18.97 4.04 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.471 2.308 . . . . 0.0 114.832 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 17.0 m -70.29 20.9 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.365 2.266 . . . . 0.0 115.929 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 61.72 141.59 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 128.047 2.539 . . . . 0.0 113.819 -162.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.82 32.75 66.44 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 124.373 0.987 . . . . 0.0 114.677 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 14.0 t -53.22 121.07 6.8 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.511 1.124 . . . . 0.0 113.396 -173.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.75 -22.55 66.65 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.907 0.883 . . . . 0.0 113.076 172.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -79.3 -41.33 28.3 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.598 -0.688 . . . . 0.0 110.6 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 72.4 t -62.75 -43.91 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 121.383 -0.823 . . . . 0.0 111.944 173.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -61.74 -40.85 96.55 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 119.784 1.175 . . . . 0.0 112.273 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.49 -53.24 33.29 Favored Glycine 0 N--CA 1.47 0.944 0 C-N-CA 124.327 0.965 . . . . 0.0 111.563 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -52.37 -46.55 66.22 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.694 0.797 . . . . 0.0 111.426 172.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.99 -46.16 61.34 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.364 0.983 . . . . 0.0 114.292 173.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -37.26 78.13 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 119.184 1.492 . . . . 0.0 112.753 172.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . 0.44 ' HB3' HMA3 ' C' ' 201' ' ' HEC . 18.0 mmtt -72.89 -43.03 62.98 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.633 0.773 . . . . 0.0 110.765 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 88.5 t -54.37 -47.28 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.42 1.009 . . . . 0.0 110.73 169.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.06 83.45 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.17 -38.26 88.37 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.014 0.825 . . . . 0.0 112.197 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.63 -38.44 87.66 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.686 -0.634 . . . . 0.0 112.606 170.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.83 -46.3 88.59 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.585 0.754 . . . . 0.0 111.265 170.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 36.1 m -57.29 -44.02 83.69 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.781 1.173 . . . . 0.0 112.104 172.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -60.08 -44.0 95.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.442 1.097 . . . . 0.0 111.324 174.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.43 97.39 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 118.351 -0.833 . . . . 0.0 112.302 172.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.04 -46.52 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 119.969 1.258 . . . . 0.0 111.506 174.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.93 -28.23 69.38 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.366 1.466 . . . . 0.0 113.655 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -129.58 36.3 4.11 Favored 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 125.417 1.487 . . . . 0.0 111.733 -176.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 1.6 p -66.64 -11.96 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 119.985 -1.697 . . . . 0.0 114.732 -171.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -88.65 -9.96 50.27 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 120.407 -1.433 . . . . 0.0 114.088 168.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -140.44 2.28 1.83 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.154 1.782 . . . . 0.0 114.289 -165.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 76' ' ' MET . . . . . . . . . . . . 0.324 0.0 OUTLIER -63.98 -17.15 0.39 Allowed Pre-proline 0 CA--C 1.543 0.708 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 -177.681 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . 0.485 ' HA ' HG13 ' C' ' 135' ' ' VAL . 4.0 Cg_exo -38.18 -29.08 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.232 0 C-N-CA 124.96 3.773 . . . . 0.0 118.545 171.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -115.71 -15.93 11.3 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 171.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.94 -17.88 64.01 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.67 -1.269 . . . . 0.0 114.371 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 31.0 mt -100.22 10.21 41.59 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.807 0.843 . . . . 0.0 112.589 171.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 40.3 t -55.62 -41.42 73.46 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.302 1.041 . . . . 0.0 113.184 -178.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.28 -27.19 67.08 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.042 -1.036 . . . . 0.0 113.46 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.7 mt -82.64 -38.76 23.05 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.732 0.813 . . . . 0.0 111.031 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 18.7 t -55.1 -44.95 75.39 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 119.369 -0.348 . . . . 0.0 110.849 162.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -60.99 -50.44 73.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.907 0.883 . . . . 0.0 112.463 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.61 -38.24 80.77 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.312 -0.867 . . . . 0.0 111.993 175.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -67.8 -65.8 0.65 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.585 0.629 . . . . 0.0 109.96 176.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.86 -51.39 57.08 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.394 1.478 . . . . 0.0 112.934 -174.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -73.44 -3.87 30.1 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -174.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -139.52 -44.39 0.45 Allowed 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -172.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.83 -41.97 0.28 Allowed 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 -167.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 48.23 37.71 8.81 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.687 1.595 . . . . 0.0 114.271 165.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 72.1 t -56.05 139.74 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.644 1.177 . . . . 0.0 110.192 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.6 132.83 93.2 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -174.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -39.61 -31.14 0.38 Allowed 'Trans proline' 0 C--N 1.353 0.805 1 C-N-CA 126.257 4.638 . . . . 0.0 117.83 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 53.2 t -44.06 -34.58 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 CA-C-N 121.607 2.003 . . . . 0.0 112.791 171.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . 0.607 ' HB3' HMC1 ' C' ' 201' ' ' HEC . 35.3 m-80 -56.94 -36.93 70.81 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 174.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' C' ' 133' ' ' SER . 0.0 OUTLIER -54.76 -44.49 73.68 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 171.713 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -61.27 -36.79 80.99 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.362 0.665 . . . . 0.0 110.606 -171.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.11 -55.28 19.67 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.383 1.473 . . . . 0.0 109.864 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . 0.425 HD23 HMC3 ' C' ' 201' ' ' HEC . 0.1 OUTLIER -59.11 -37.62 77.63 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.77 0.828 . . . . 0.0 111.378 177.045 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 26.6 m -73.37 -37.08 66.16 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.008 1.323 . . . . 0.0 114.222 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -56.41 -46.83 80.01 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 119.091 0.86 . . . . 0.0 110.48 162.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 74.1 m -62.91 -38.64 91.77 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.193 -0.908 . . . . 0.0 112.583 178.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 22.8 mt -57.52 -55.78 30.39 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 124.365 1.066 . . . . 0.0 110.375 168.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 34.4 mt -52.13 -38.63 58.1 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.796 1.18 . . . . 0.0 112.37 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 8.0 t -58.86 -56.51 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 124.237 1.015 . . . . 0.0 112.333 169.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -36.19 81.38 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.417 1.008 . . . . 0.0 111.922 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 6.6 mt -59.5 -59.68 5.06 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 124.112 0.965 . . . . 0.0 108.573 172.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.23 -27.14 20.61 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.798 1.181 . . . . 0.0 114.173 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.96 -29.31 32.24 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -131.7 -18.22 2.78 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -166.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 2.0 tt -105.16 128.47 26.59 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 128.334 2.654 . . . . 0.0 106.672 173.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -69.73 74.26 1.29 Allowed 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.025 2.483 . . . . 0.0 110.828 169.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.12 -15.92 64.01 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.308 1.043 . . . . 0.0 112.554 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 57.09 9.65 0.69 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.963 1.705 . . . . 0.0 113.245 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 8.8 p90 43.79 24.62 0.07 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 128.68 2.792 . . . . 0.0 114.99 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.51 160.34 76.86 Favored Pre-proline 0 N--CA 1.47 0.54 0 C-N-CA 125.048 1.339 . . . . 0.0 111.13 -175.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -59.65 -44.83 28.92 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.732 1.621 . . . . 0.0 112.383 168.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.07 76.67 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 117.961 0.346 . . . . 0.0 110.982 176.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 39.7 t -75.0 -50.68 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 120.624 -1.297 . . . . 0.0 112.444 -177.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -65.81 -41.28 92.05 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 120.668 -1.27 . . . . 0.0 111.454 -176.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.62 -57.74 9.12 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.021 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 92.1 p -55.33 -43.58 75.07 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 117.158 -1.401 . . . . 0.0 112.712 -175.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.5 -49.53 66.26 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 120.658 1.572 . . . . 0.0 111.084 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -59.23 -50.35 74.36 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.43 1.014 . . . . 0.0 112.351 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -28.68 64.42 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 178.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -63.05 -49.17 75.62 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.709 1.14 . . . . 0.0 110.311 169.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.48 -33.35 75.38 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.175 0.898 . . . . 0.0 111.084 177.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.56 86.54 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.638 1.108 . . . . 0.0 113.151 167.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 7.4 t -66.61 -45.26 79.7 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.671 -1.268 . . . . 0.0 112.596 173.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 62.6 t -53.94 -46.0 64.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.041 0.936 . . . . 0.0 109.956 171.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 133' ' ' SER . . . . . 0.432 ' HB2' ' CD1' ' C' ' 98' ' ' PHE . 33.4 t -60.07 -54.75 42.33 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 124.731 1.212 . . . . 0.0 113.69 174.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 21.5 m -50.45 -42.34 54.06 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.444 1.02 . . . . 0.0 110.681 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 135' ' ' VAL . . . . . 0.485 HG13 ' HA ' ' C' ' 77' ' ' PRO . 71.6 t -68.77 -47.24 77.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 118.434 -0.793 . . . . 0.0 112.871 175.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -29.06 65.18 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 120.644 1.566 . . . . 0.0 113.081 174.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 89.2 m -76.73 -15.12 59.86 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 127.993 2.517 . . . . 0.0 113.077 175.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 22.5 m -119.52 157.71 27.78 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.251 1.42 . . . . 0.0 112.77 -173.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.44 -30.41 0.05 Allowed 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -173.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -145.1 120.33 10.19 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 125.761 1.624 . . . . 0.0 109.496 175.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 . . . . . 0 C--O 1.256 1.416 0 C-N-CA 125.549 1.539 . . . . 0.0 113.971 -175.063 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.319 3.5 p . . . . . 0 N--CA 1.514 2.752 0 CA-C-O 116.925 -1.512 . . . . 0.0 112.872 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 22.1 73.39 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 127.695 2.398 . . . . 0.0 115.326 -176.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.07 163.34 12.57 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.694 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.64 151.95 90.96 Favored Pre-proline 0 N--CA 1.481 1.08 0 CA-C-O 118.635 -0.698 . . . . 0.0 109.514 166.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -53.59 -38.22 83.8 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.81 2.34 . . . . 0.0 114.686 173.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -71.68 -43.46 65.94 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.447 -0.783 . . . . 0.0 112.224 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -64.39 -42.92 95.86 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.7 -0.625 . . . . 0.0 111.419 175.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.17 -52.74 60.23 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.685 1.194 . . . . 0.0 110.868 170.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -54.16 -45.94 72.19 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.647 0.658 . . . . 0.0 111.347 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.92 -52.88 63.65 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' VAL . . . . . 0.564 HG23 ' CE1' ' D' ' 130' ' ' TYR . 3.8 p -65.09 -50.26 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 119.785 1.175 . . . . 0.0 112.472 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -70.49 -35.88 73.5 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.107 0.867 . . . . 0.0 112.255 -172.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.47 -37.55 87.93 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.462 1.028 . . . . 0.0 111.928 172.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.99 -39.46 87.14 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.318 -0.864 . . . . 0.0 111.18 172.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -25.85 61.61 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 164.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.73 -38.75 86.02 Favored Glycine 0 CA--C 1.535 1.34 0 O-C-N 121.333 -0.855 . . . . 0.0 113.221 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -89.67 -19.41 24.88 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -53.58 133.61 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.284 1.034 . . . . 0.0 113.131 -169.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -87.07 85.01 7.2 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.891 0.876 . . . . 0.0 108.86 174.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 87.0 t -52.15 -35.62 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 124.33 1.052 . . . . 0.0 113.609 -170.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -44.25 86.33 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.025 1.33 . . . . 0.0 113.018 174.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -95.4 -38.34 10.53 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.691 -0.631 . . . . 0.0 111.455 -167.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -34.84 70.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 O-C-N 121.535 -0.728 . . . . 0.0 110.616 165.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.33 -46.79 67.82 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-O 119.426 -0.652 . . . . 0.0 111.605 174.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.32 -42.79 95.73 Favored Glycine 0 N--CA 1.469 0.873 0 CA-C-N 118.072 0.936 . . . . 0.0 113.726 170.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -64.46 -38.34 90.68 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 123.601 0.76 . . . . 0.0 112.143 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.14 -51.72 35.53 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 119.662 1.119 . . . . 0.0 111.813 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.438 HD21 ' CD2' ' D' ' 63' ' ' HIS . 0.9 OUTLIER -75.43 -22.36 57.44 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -178.589 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.575 ' O ' HG13 ' D' ' 33' ' ' VAL . . . -69.05 -59.11 6.11 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 164.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' ARG . . . . . 0.527 ' HA ' HG22 ' D' ' 33' ' ' VAL . 39.6 mtt180 -53.83 -33.96 57.8 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 120.724 -1.457 . . . . 0.0 112.636 176.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . 0.44 ' HA ' HG21 ' D' ' 109' ' ' VAL . 58.9 tp -49.73 -39.69 38.22 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.591 1.156 . . . . 0.0 113.139 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.15 -11.12 8.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 118.719 -0.658 . . . . 0.0 112.264 -168.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' VAL . . . . . 0.575 HG13 ' O ' ' D' ' 29' ' ' GLY . 15.8 m -62.47 -24.91 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 119.536 1.062 . . . . 0.0 111.8 166.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' VAL . . . . . 0.402 HG23 ' H ' ' D' ' 34' ' ' VAL . 0.2 OUTLIER -58.62 1.59 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 173.4 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.74 38.06 0.44 Allowed Pre-proline 0 CA--C 1.559 1.31 0 C-N-CA 126.542 1.937 . . . . 0.0 114.394 -168.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -77.39 178.8 7.19 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.771 2.314 . . . . 0.0 110.72 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 14.1 p90 -50.02 -31.8 13.76 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.972 -1.08 . . . . 0.0 113.006 167.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.05 -25.41 61.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.804 1.242 . . . . 0.0 113.956 174.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -27.03 59.01 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.182 0.901 . . . . 0.0 111.17 173.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 5.7 ptt-85 -48.9 -38.96 24.16 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 119.879 1.218 . . . . 0.0 113.832 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.02 0.22 45.83 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.761 1.224 . . . . 0.0 112.044 -174.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.65 -35.06 40.71 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 120.436 -1.415 . . . . 0.0 114.551 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -59.96 -16.37 29.65 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 18.4 t -85.22 -23.22 28.35 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 173.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . 0.736 ' HB2' HD11 ' D' ' 48' ' ' LEU . 12.3 m-85 -96.27 -2.5 45.87 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.032 -1.043 . . . . 0.0 113.385 -179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.23 31.26 74.32 Favored Glycine 0 N--CA 1.479 1.516 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 162.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . 0.548 ' C ' HD12 ' D' ' 48' ' ' LEU . 0.5 OUTLIER -165.65 -129.56 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 125.818 1.647 . . . . 0.0 108.687 -172.785 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 48' ' ' LEU . . . . . 0.736 HD11 ' HB2' ' D' ' 45' ' ' PHE . 0.3 OUTLIER 63.29 -8.04 0.15 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.865 2.466 . . . . 0.0 116.615 168.36 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 41.0 m -56.97 -18.4 13.41 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.237 1.815 . . . . 0.0 114.447 172.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 1.4 p -141.21 162.74 46.16 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.717 1.607 . . . . 0.0 110.67 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -55.45 -54.8 3.73 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.797 2.332 . . . . 0.0 112.041 172.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.73 -39.15 90.54 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 123.995 0.918 . . . . 0.0 111.914 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.19 -46.63 79.33 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.182 0.593 . . . . 0.0 110.88 173.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . 0.461 HG11 ' CG1' ' D' ' 33' ' ' VAL . 0.3 OUTLIER -70.99 -46.65 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.883 1.219 . . . . 0.0 113.344 -178.754 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 1.7 mtt -70.4 -23.3 62.74 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.751 0.705 . . . . 0.0 112.03 -173.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.54 -11.04 49.0 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 124.973 1.273 . . . . 0.0 115.255 174.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -61.63 120.16 53.73 Favored Pre-proline 0 N--CA 1.474 0.758 0 CA-C-N 119.924 1.862 . . . . 0.0 111.536 -175.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -63.59 -24.95 69.65 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 122.995 2.463 . . . . 0.0 113.497 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -76.15 -46.98 26.01 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.908 1.231 . . . . 0.0 112.909 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -66.36 -34.5 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 CA-C-N 119.315 0.961 . . . . 0.0 112.248 170.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -57.7 -57.44 12.72 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 119.504 1.047 . . . . 0.0 111.398 168.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.97 -50.6 70.36 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.449 1.5 . . . . 0.0 112.843 -178.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 63' ' ' HIS . . . . . 0.438 ' CD2' HD21 ' D' ' 28' ' ' LEU . 0.9 OUTLIER -64.84 -33.93 77.16 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.515 -0.741 . . . . 0.0 111.563 174.829 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.82 -40.59 64.85 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.366 1.46 . . . . 0.0 112.827 168.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.97 -41.11 99.45 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 121.896 -0.767 . . . . 0.0 111.889 172.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -63.87 -52.19 61.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.451 0.701 . . . . 0.0 111.096 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 31.2 m -59.83 -46.82 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.518 0.327 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.31 -38.49 68.7 Favored 'General case' 0 C--O 1.224 -0.247 0 O-C-N 121.118 -0.988 . . . . 0.0 111.736 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.91 -42.57 53.92 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 123.929 0.776 . . . . 0.0 111.677 172.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.94 -47.27 81.16 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 170.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . 0.446 ' CE2' HD23 ' D' ' 110' ' ' LEU . 2.3 m-30 -55.53 -37.13 67.53 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 120.333 -1.479 . . . . 0.0 111.599 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 7.0 t -67.56 -42.99 81.74 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.434 1.494 . . . . 0.0 113.181 172.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -56.31 -31.48 63.72 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.026 0.83 . . . . 0.0 111.838 168.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.48 -61.68 6.59 Favored Glycine 0 C--N 1.338 0.666 0 C-N-CA 124.31 0.957 . . . . 0.0 111.041 169.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 mt -54.25 -27.8 37.23 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.91 -27.4 54.9 Favored 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 171.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -142.96 54.99 1.38 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.377 1.871 . . . . 0.0 112.577 -171.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.25 -11.3 59.14 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -59.33 -38.46 80.39 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.777 1.231 . . . . 0.0 113.673 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -153.93 107.79 2.99 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.592 1.557 . . . . 0.0 110.379 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 67.2 mt -83.35 -21.48 33.1 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 173.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -69.55 -7.5 39.02 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 120.539 -1.351 . . . . 0.0 113.731 -174.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -115.7 -46.7 0.55 Allowed Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.888 1.709 . . . . 0.0 113.545 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.2 p -60.61 -26.3 66.89 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 118.644 1.222 . . . . 0.0 113.492 173.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -108.95 -1.96 18.64 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 117.941 -1.028 . . . . 0.0 113.345 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.64 -38.83 67.35 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 120.594 1.543 . . . . 0.0 114.272 -174.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 6.5 p -64.41 -35.43 80.88 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.397 1.079 . . . . 0.0 112.616 172.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 44.7 mt -72.99 -39.67 65.89 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.88 0.872 . . . . 0.0 111.126 173.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 1.5 m -56.1 -48.1 76.81 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 120.797 -1.189 . . . . 0.0 110.964 171.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -62.32 -44.07 97.35 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.984 1.314 . . . . 0.0 112.746 174.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 44.3 tp -58.77 -53.08 62.42 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.304 -0.872 . . . . 0.0 111.784 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -77.27 6.74 6.19 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -177.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 18.8 p -120.28 -76.37 0.58 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.65 0.659 . . . . 0.0 110.942 160.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.69 -22.73 65.58 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -167.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 -28.61 11.81 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.147 0.979 . . . . 0.0 113.211 173.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 50.6 mt -142.34 39.71 1.58 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.753 1.221 . . . . 0.0 113.306 -163.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -7.53 -60.16 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 118.719 2.859 . . . . 0.0 118.719 -167.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 2.5 p 24.34 98.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 129.281 3.033 . . . . 0.0 116.02 173.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -9.71 110.54 0.04 OUTLIER Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 125.48 1.512 . . . . 0.0 114.911 155.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -53.27 -24.41 26.76 Favored 'Trans proline' 0 CA--C 1.547 1.162 0 C-N-CA 122.215 1.943 . . . . 0.0 114.573 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -46.38 -36.13 6.14 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 119.499 -2.0 . . . . 0.0 114.409 166.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -68.15 -27.47 66.46 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 117.53 -1.224 . . . . 0.0 114.185 174.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 103' ' ' PHE . . . . . 0.683 ' CE1' ' HB1' ' D' ' 138' ' ' ALA . 0.3 OUTLIER -60.49 -40.73 92.4 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 121.142 1.792 . . . . 0.0 109.296 166.157 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 104' ' ' ARG . . . . . 0.41 ' N ' ' CD1' ' D' ' 103' ' ' PHE . 31.0 ttp85 -72.02 -42.44 66.38 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.783 -0.573 . . . . 0.0 110.468 -168.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 7.8 mp -54.78 -46.2 74.39 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.318 -0.849 . . . . 0.0 111.531 166.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . 0.463 HD13 HBB2 ' D' ' 201' ' ' HEC . 0.6 OUTLIER -56.45 -44.42 80.46 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.955 1.252 . . . . 0.0 111.962 176.121 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.64 -60.87 8.12 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 123.085 0.374 . . . . 0.0 113.227 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -55.83 -35.2 66.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.721 0.808 . . . . 0.0 112.565 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 109' ' ' VAL . . . . . 0.44 HG21 ' HA ' ' D' ' 31' ' ' LEU . 43.1 t -70.95 -46.59 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 121.026 -1.046 . . . . 0.0 111.756 176.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . 0.446 HD23 ' CE2' ' D' ' 71' ' ' PHE . 51.4 tp -58.24 -41.49 84.27 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.754 1.161 . . . . 0.0 111.548 -178.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 1.1 m -64.89 -30.58 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 O-C-N 121.089 -1.007 . . . . 0.0 111.859 176.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 29.9 t -72.04 -39.34 69.17 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.132 -0.98 . . . . 0.0 113.222 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.5 -41.88 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 O-C-N 120.22 -1.55 . . . . 0.0 111.899 172.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 25.3 mt -60.98 -39.57 90.12 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.151 0.432 . . . . 0.0 110.685 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.35 -28.99 63.62 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 169.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 32.4 t-80 -79.3 -56.25 4.48 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.646 1.566 . . . . 0.0 112.766 171.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.94 -25.05 66.95 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -170.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -134.21 27.61 3.8 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.433 1.493 . . . . 0.0 112.468 -176.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -51.07 -39.83 42.31 Favored Glycine 0 N--CA 1.476 1.321 0 N-CA-C 116.762 1.465 . . . . 0.0 116.762 -168.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -67.58 -14.05 62.6 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 118.0 0.9 . . . . 0.0 113.187 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -114.84 1.06 13.98 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.048 2.139 . . . . 0.0 111.385 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -94.03 68.42 3.77 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.107 1.363 . . . . 0.0 112.046 -174.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 30.9 p -58.11 156.71 19.13 Favored Pre-proline 0 N--CA 1.473 0.707 0 C-N-CA 124.253 1.021 . . . . 0.0 112.3 -175.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -46.35 -52.69 6.93 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 121.699 1.599 . . . . 0.0 113.353 168.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -64.01 -29.06 66.2 Favored 'Trans proline' 0 C--N 1.354 0.829 0 CA-C-O 116.737 -1.443 . . . . 0.0 114.278 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -42.38 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 122.174 2.261 . . . . 0.0 110.92 174.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.36 -49.81 76.09 Favored 'General case' 0 CA--C 1.527 0.067 0 O-C-N 121.799 -0.563 . . . . 0.0 110.534 177.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.95 -22.92 66.51 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.81 -49.48 45.89 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 130' ' ' TYR . . . . . 0.564 ' CE1' HG23 ' D' ' 11' ' ' VAL . 61.2 m-85 -53.75 -48.81 69.34 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 118.471 -0.776 . . . . 0.0 111.217 166.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -56.25 -37.13 69.34 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.581 1.082 . . . . 0.0 112.314 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -71.75 -43.49 65.69 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.995 1.27 . . . . 0.0 114.35 173.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.42 -45.75 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 CA-C-N 120.806 1.639 . . . . 0.0 109.975 173.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 50.5 t -78.72 -29.16 14.39 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 CA-C-O 117.433 -1.27 . . . . 0.0 112.126 -171.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.25 83.7 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 121.128 1.786 . . . . 0.0 112.169 166.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -65.77 -49.67 57.98 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 121.157 -0.965 . . . . 0.0 112.232 168.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.77 -44.23 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.346 1.058 . . . . 0.0 111.693 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . 0.683 ' HB1' ' CE1' ' D' ' 103' ' ' PHE . . . -51.46 -58.66 5.65 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 127.055 2.142 . . . . 0.0 112.003 170.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -57.56 -36.36 71.57 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.167 0.587 . . . . 0.0 112.089 178.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.32 75.1 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.864 -0.588 . . . . 0.0 112.569 173.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.95 -38.41 90.86 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 120.837 1.653 . . . . 0.0 111.828 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.79 -11.87 41.48 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.363 1.465 . . . . 0.0 113.894 170.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -57.09 -29.95 63.92 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 120.533 1.515 . . . . 0.0 113.681 -176.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -87.46 5.33 39.49 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 175.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.35 -17.53 4.2 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.356 1.862 . . . . 0.0 113.376 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.255 1.374 0 C-N-CA 129.253 3.021 . . . . 0.0 117.607 -178.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.573 HMC1 ' HB3' ' A' ' 97' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 201' ' ' HEC . . . . . 0.458 HBB2 HD13 ' B' ' 106' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 201' ' ' HEC . . . . . 0.607 HMC1 ' HB3' ' C' ' 97' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 201' ' ' HEC . . . . . 0.463 HBB2 HD13 ' D' ' 106' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.515 2.781 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -146.83 161.05 41.48 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.041 1.336 . . . . 0.0 111.719 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -71.56 155.65 92.3 Favored Pre-proline 0 N--CA 1.48 1.044 0 C-N-CA 123.968 0.907 . . . . 0.0 112.371 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.0 -40.92 8.31 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 122.89 2.393 . . . . 0.0 114.352 -168.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.14 -38.43 88.94 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.341 0.518 . . . . 0.0 111.959 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -56.81 -49.73 74.49 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.207 0.603 . . . . 0.0 110.958 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -55.5 -44.7 76.82 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.524 0.73 . . . . 0.0 110.827 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.7 m -59.58 -42.66 93.01 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.145 0.578 . . . . 0.0 111.444 177.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -64.78 -38.87 92.45 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.275 0.943 . . . . 0.0 112.094 174.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.35 -49.3 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 118.693 0.679 . . . . 0.0 111.239 173.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.69 -44.27 96.74 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 118.95 0.796 . . . . 0.0 111.194 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.34 -52.59 64.97 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.447 0.699 . . . . 0.0 111.491 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.98 -55.87 29.6 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.481 0.713 . . . . 0.0 112.146 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.404 ' CZ3' HG11 ' A' ' 17' ' ' VAL . 20.4 t-105 -63.53 -28.82 70.21 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.466 -0.771 . . . . 0.0 112.835 -176.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.83 -43.5 92.27 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.311 0.958 . . . . 0.0 113.526 169.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -73.55 -31.75 63.82 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 118.611 1.205 . . . . 0.0 111.851 174.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.43 HG12 ' HB2' ' A' ' 21' ' ' ALA . 91.3 t -67.51 -21.08 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 125.271 1.428 . . . . 0.0 113.283 176.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.66 139.64 2.51 Favored Glycine 0 CA--C 1.543 1.835 0 C-N-CA 124.866 1.222 . . . . 0.0 114.52 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 61.53 -35.77 0.1 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 128.317 2.647 . . . . 0.0 116.454 -168.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -75.58 -20.37 58.66 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.701 1.137 . . . . 0.0 113.727 174.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' HB2' HG12 ' A' ' 17' ' ' VAL . . . -47.55 -44.98 26.46 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.064 1.746 . . . . 0.0 115.131 -171.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.54 -35.63 91.46 Favored Glycine 0 N--CA 1.471 0.99 0 O-C-N 121.486 -0.759 . . . . 0.0 113.521 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -63.89 -46.87 82.95 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.141 0.976 . . . . 0.0 110.216 174.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -60.31 -39.94 88.76 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.413 0.685 . . . . 0.0 112.317 175.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.94 -48.42 83.71 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-N 118.623 0.647 . . . . 0.0 112.802 172.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.99 -46.11 90.52 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.283 1.042 . . . . 0.0 112.125 177.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.54 -40.01 95.44 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 121.623 -0.673 . . . . 0.0 112.553 173.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.408 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -62.5 -40.06 95.49 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.201 0.91 . . . . 0.0 112.596 178.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.0 mt -65.31 -49.7 68.45 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.458 1.103 . . . . 0.0 111.887 173.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.24 -43.11 99.41 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.622 -0.674 . . . . 0.0 112.522 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -60.42 -46.69 89.13 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.358 -0.839 . . . . 0.0 111.82 172.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.413 ' CE ' HBC2 ' A' ' 201' ' ' HEC . 38.5 ttp -54.36 -48.28 71.65 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.676 1.125 . . . . 0.0 112.133 173.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.96 -52.21 51.85 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.533 1.133 . . . . 0.0 113.009 176.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -86.02 -30.25 22.82 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -173.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.6 m -69.49 -28.27 65.91 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.443 1.019 . . . . 0.0 113.411 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -139.38 76.86 30.57 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 124.415 1.086 . . . . 0.0 109.615 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -48.89 -29.25 14.77 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 124.991 3.794 . . . . 0.0 116.878 -169.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 p -52.83 -35.8 57.74 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.65 1.18 . . . . 0.0 112.91 173.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.6 p -56.93 -27.12 60.59 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 176.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -28.91 66.08 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.682 1.128 . . . . 0.0 112.749 174.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -23.0 56.95 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.522 1.129 . . . . 0.0 113.879 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.32 -38.11 79.46 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.089 0.404 . . . . 0.0 111.839 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 28.0 53.44 0.41 Allowed Pre-proline 0 CA--C 1.559 1.297 0 C-N-CA 128.622 2.769 . . . . 0.0 115.278 172.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.92 -57.49 0.16 Allowed 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.98 2.453 . . . . 0.0 113.388 -159.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -158.32 27.58 0.25 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.981 1.313 . . . . 0.0 112.72 171.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.7 173.85 11.12 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.788 1.235 . . . . 0.0 113.224 -175.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -141.55 158.54 43.71 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.51 1.524 . . . . 0.0 111.496 -177.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.8 mt -121.41 31.42 6.32 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.123 0.969 . . . . 0.0 112.038 -156.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.5 p -64.35 17.02 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.351 2.66 . . . . 0.0 117.484 -170.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.2 t60 69.98 127.91 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 128.769 2.827 . . . . 0.0 112.965 -172.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.75 20.31 75.76 Favored Glycine 0 CA--C 1.542 1.751 0 O-C-N 121.359 -0.838 . . . . 0.0 114.792 -174.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.1 t -57.29 125.96 25.11 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.048 1.339 . . . . 0.0 113.297 -176.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.86 -34.98 70.33 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.009 0.924 . . . . 0.0 112.696 173.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -71.05 -39.42 72.25 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.793 -0.567 . . . . 0.0 111.783 177.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 84.9 t -64.34 -42.34 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-N 119.043 0.838 . . . . 0.0 111.421 172.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -59.15 -49.18 78.85 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.103 0.961 . . . . 0.0 112.162 174.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.45 -47.0 91.25 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.211 0.91 . . . . 0.0 112.804 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -58.45 -40.6 83.06 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.554 -0.969 . . . . 0.0 111.735 172.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.14 -51.23 51.84 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.479 1.038 . . . . 0.0 113.57 171.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -57.2 -37.65 72.5 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 118.277 1.038 . . . . 0.0 113.104 171.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -69.62 -46.26 66.64 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.317 0.962 . . . . 0.0 112.292 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.2 t -56.27 -46.17 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.378 0.99 . . . . 0.0 110.466 171.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.41 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -59.9 -50.49 73.59 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 176.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -60.21 -40.57 90.58 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.937 0.79 . . . . 0.0 112.073 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.544 ' HB2' HMA1 ' A' ' 201' ' ' HEC . . . -62.92 -36.93 85.01 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 171.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.74 -45.85 84.71 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 118.505 -0.759 . . . . 0.0 111.245 170.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.5 m -55.66 -45.44 77.71 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 120.091 1.314 . . . . 0.0 112.0 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -57.25 -50.11 73.91 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.456 1.502 . . . . 0.0 111.552 172.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.08 -36.65 77.84 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.043 -1.036 . . . . 0.0 113.773 174.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.7 t -67.25 -45.02 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 119.626 1.103 . . . . 0.0 110.847 173.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.09 -26.13 68.69 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.509 1.124 . . . . 0.0 113.471 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -130.58 34.77 4.1 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.184 1.393 . . . . 0.0 112.704 -174.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.2 p -58.98 -8.41 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 120.202 -1.561 . . . . 0.0 115.064 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -107.95 -2.27 19.9 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.634 1.574 . . . . 0.0 114.86 171.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -140.85 1.94 1.72 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.195 1.798 . . . . 0.0 113.877 -174.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.478 ' HA ' ' HB3' ' A' ' 79' ' ' ALA 0.308 0.0 OUTLIER -61.88 -19.54 0.54 Allowed Pre-proline 0 CA--C 1.545 0.782 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 -175.022 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -44.24 -32.7 5.28 Favored 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 123.532 2.821 . . . . 0.0 116.315 165.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -103.09 -34.6 8.82 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 172.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 76' ' ' MET . . . -63.96 -16.48 61.64 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 178.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.8 mt -110.26 17.17 21.19 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.451 1.5 . . . . 0.0 112.646 175.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.1 p -53.76 -43.15 68.95 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.633 1.106 . . . . 0.0 113.851 -175.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.2 -23.96 62.7 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.926 0.89 . . . . 0.0 113.331 173.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mt -95.23 -32.66 12.92 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.082 -1.011 . . . . 0.0 111.546 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.0 t -52.31 -42.91 64.2 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 157.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.63 -39.1 92.78 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.576 -1.328 . . . . 0.0 114.039 171.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.61 -39.18 67.65 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 120.362 1.437 . . . . 0.0 112.315 168.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -87.02 -18.09 31.44 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.32 -35.5 8.39 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -175.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -143.87 -54.91 0.37 Allowed 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -54.18 -40.91 67.98 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 120.859 1.663 . . . . 0.0 113.578 -167.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 mt -136.38 -4.93 2.07 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 171.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 48.63 36.93 8.41 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 126.555 1.942 . . . . 0.0 115.181 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.0 t -47.63 124.47 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 126.151 1.78 . . . . 0.0 113.44 -176.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.58 118.32 49.79 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 124.771 1.228 . . . . 0.0 112.555 176.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -46.91 -35.74 18.79 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 125.024 3.816 . . . . 0.0 116.557 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.0 p -54.22 -34.94 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 120.896 -1.127 . . . . 0.0 112.839 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.481 ' HB3' HMC1 ' A' ' 201' ' ' HEC . 9.3 m-80 -64.08 -33.73 76.43 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.41 -0.806 . . . . 0.0 111.424 178.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 133' ' ' SER . 0.0 OUTLIER -57.61 -45.01 85.88 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 120.839 -1.163 . . . . 0.0 110.41 170.853 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -61.03 -39.93 91.67 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.321 0.648 . . . . 0.0 110.563 -172.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.69 -60.19 3.86 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.45 0.7 . . . . 0.0 110.681 171.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.595 HD23 HMC3 ' A' ' 201' ' ' HEC . 0.2 OUTLIER -57.86 -34.86 70.19 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.964 0.802 . . . . 0.0 112.109 -175.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.3 t -56.55 -53.68 54.73 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.052 1.741 . . . . 0.0 112.629 173.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -60.11 -41.57 92.84 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.416 -0.803 . . . . 0.0 111.482 172.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 75.8 m -66.46 -24.47 66.44 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.3 mt -75.44 -48.19 23.87 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.312 1.045 . . . . 0.0 111.513 169.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 31.4 mt -50.84 -43.87 59.22 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.875 0.761 . . . . 0.0 111.783 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.6 m -66.82 -37.64 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 174.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 22.1 p -74.66 -32.16 62.16 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 120.745 1.611 . . . . 0.0 112.185 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.71 -51.21 70.73 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 121.719 0.771 . . . . 0.0 108.983 166.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.39 -24.35 67.61 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.67 -10.91 21.51 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 174.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -131.34 -36.11 1.3 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.7 mp -77.64 156.08 80.75 Favored Pre-proline 0 CA--C 1.56 1.343 0 CA-C-N 119.247 0.93 . . . . 0.0 111.53 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -54.41 -35.91 86.05 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 124.043 3.162 . . . . 0.0 116.351 -170.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -146.05 -48.12 0.21 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.553 1.141 . . . . 0.0 111.354 173.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 67.3 -9.1 0.42 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.37 1.468 . . . . 0.0 114.747 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -116.24 6.11 13.78 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -166.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.6 p -56.77 158.33 8.89 Favored Pre-proline 0 N--CA 1.47 0.566 0 C-N-CA 123.405 0.682 . . . . 0.0 111.088 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -50.66 -41.88 52.15 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.584 2.189 . . . . 0.0 113.957 172.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.66 -52.94 54.68 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.127 0.421 . . . . 0.0 111.612 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.5 t -72.58 -48.03 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 121.448 -0.783 . . . . 0.0 112.326 -172.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.05 -41.54 61.61 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.934 1.243 . . . . 0.0 113.065 -175.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.3 88.61 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 120.178 1.354 . . . . 0.0 110.694 174.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.1 t -57.23 -61.24 2.61 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 118.951 -0.547 . . . . 0.0 111.992 174.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.47 -41.42 98.59 Favored 'General case' 0 C--O 1.226 -0.165 0 CA-C-N 119.574 1.079 . . . . 0.0 113.558 -174.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.13 -48.24 80.84 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.82 1.191 . . . . 0.0 111.264 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.412 ' HA ' ' HB3' ' A' ' 130' ' ' ALA 0.316 0.0 OUTLIER -82.99 -17.89 41.82 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -177.964 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -71.98 -46.45 57.29 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.58 1.152 . . . . 0.0 112.071 164.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.64 -33.43 72.78 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.495 -1.378 . . . . 0.0 110.719 170.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 127' ' ' LYS . . . -64.17 -41.7 97.01 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 168.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.2 p -69.33 -42.38 75.43 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 121.658 2.026 . . . . 0.0 112.792 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 75.6 t -53.08 -46.84 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.04 1.336 . . . . 0.0 110.551 167.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.447 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 42.9 t -59.38 -51.07 71.51 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 118.295 -0.86 . . . . 0.0 113.093 171.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 47.8 m -50.91 -36.09 36.54 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 120.321 1.418 . . . . 0.0 112.636 176.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 53.8 t -72.66 -49.31 41.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 121.54 -0.725 . . . . 0.0 112.295 170.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.38 -39.14 69.76 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.002 -1.061 . . . . 0.0 113.543 175.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 72.6 p -86.78 4.96 38.81 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.806 1.642 . . . . 0.0 113.437 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.8 p -65.36 -179.28 0.59 Allowed 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 121.89 0.852 . . . . 0.0 112.681 170.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -139.75 87.77 2.19 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.382 1.473 . . . . 0.0 109.494 178.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 33.72 93.15 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 127.49 2.316 . . . . 0.0 115.509 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 . . . . . 0 C--O 1.254 1.314 0 C-N-CA 127.196 2.199 . . . . 0.0 114.19 -174.165 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.515 2.795 0 CA-C-O 119.357 -0.354 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -132.16 74.3 1.58 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.868 1.267 . . . . 0.0 110.622 -170.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.74 157.62 9.21 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 121.46 -0.775 . . . . 0.0 110.974 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.3 p -63.68 151.96 87.37 Favored Pre-proline 0 N--CA 1.479 0.982 0 CA-C-O 118.493 -0.765 . . . . 0.0 109.301 167.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -54.54 -37.11 90.37 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.367 2.045 . . . . 0.0 114.09 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -70.85 -44.46 66.38 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.262 0.625 . . . . 0.0 112.176 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -66.37 -38.43 87.56 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.326 -0.859 . . . . 0.0 111.6 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -57.1 -46.35 82.66 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.61 1.096 . . . . 0.0 111.108 172.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.4 t -58.23 -45.75 87.14 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.787 0.721 . . . . 0.0 111.036 173.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.88 -49.68 74.79 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 p -67.88 -50.75 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 119.4 1.0 . . . . 0.0 112.071 173.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.4 m -72.06 -35.77 69.4 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.955 0.798 . . . . 0.0 111.792 -168.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.23 -36.17 74.35 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.777 -1.202 . . . . 0.0 112.313 175.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -69.2 -38.64 78.73 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.21 -0.931 . . . . 0.0 110.649 172.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -55.01 -42.37 72.47 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.67 -0.644 . . . . 0.0 111.773 166.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.37 -26.65 44.95 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 126.558 2.028 . . . . 0.0 116.551 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.73 -3.65 14.93 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 119.5 1.65 . . . . 0.0 114.57 171.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.49 136.4 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 124.147 0.979 . . . . 0.0 111.509 177.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -90.86 87.61 6.72 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 74.9 t -50.84 -38.97 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -165.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -71.7 -37.66 70.64 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 177.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -80.71 -55.41 4.85 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.126 0.57 . . . . 0.0 110.54 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.0 -31.94 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 O-C-N 121.282 -0.886 . . . . 0.0 112.219 175.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.97 -44.02 31.84 Favored Glycine 0 C--N 1.343 0.958 0 CA-C-N 119.47 1.032 . . . . 0.0 111.991 176.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.83 -48.34 79.08 Favored Glycine 0 CA--C 1.525 0.667 0 CA-C-N 117.931 0.866 . . . . 0.0 112.594 169.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.68 -28.55 67.79 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 117.86 -1.067 . . . . 0.0 112.868 174.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.18 -64.21 0.9 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 121.555 1.98 . . . . 0.0 111.131 173.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.1 tp -67.55 -35.1 78.41 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.62 -0.675 . . . . 0.0 111.232 -175.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.446 ' O ' HG13 ' B' ' 33' ' ' VAL . . . -52.65 -59.0 9.75 Favored Glycine 0 C--N 1.336 0.539 0 CA-C-O 118.191 -1.338 . . . . 0.0 111.416 163.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.444 ' HD2' ' HE2' ' B' ' 116' ' ' HIS . 0.5 OUTLIER -49.83 -43.6 48.88 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.751 1.775 . . . . 0.0 112.537 -179.702 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.428 ' HA ' HG21 ' B' ' 109' ' ' VAL . 16.2 tp -51.98 -51.8 54.76 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.973 1.715 . . . . 0.0 110.533 175.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 mp -83.9 -9.04 59.02 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-O 117.54 -1.219 . . . . 0.0 113.011 -176.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.446 HG13 ' O ' ' B' ' 29' ' ' GLY . 2.0 m -75.32 -26.02 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 CA-C-N 121.215 1.825 . . . . 0.0 114.205 167.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.16 8.07 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 CA-C-N 121.042 1.746 . . . . 0.0 113.657 -176.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 47.96 39.5 0.59 Allowed Pre-proline 0 CA--C 1.559 1.312 0 C-N-CA 126.393 1.877 . . . . 0.0 115.455 -167.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -76.86 160.43 34.01 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.78 1.653 . . . . 0.0 112.228 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 9.6 p90 -54.05 -26.54 27.18 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.552 1.541 . . . . 0.0 113.938 169.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 16.3 p -59.91 -15.98 25.99 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 172.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -52.73 -20.78 3.41 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 166.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -48.08 -29.84 3.93 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 173.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.79 4.83 42.86 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -177.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -54.93 -17.61 3.91 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 -175.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -53.75 -31.62 49.18 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.479 1.112 . . . . 0.0 112.62 172.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.2 m -83.97 -2.16 56.03 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.261 1.424 . . . . 0.0 114.454 173.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -117.85 -27.14 6.28 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.084 1.354 . . . . 0.0 112.846 -169.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.44 -135.52 13.71 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-N 120.283 1.401 . . . . 0.0 113.448 175.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -46.86 95.33 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.14 2.176 . . . . 0.0 114.223 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 tt -147.29 -16.6 0.39 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -173.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -58.53 -12.93 4.52 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 -173.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 35.7 p -136.22 157.01 76.43 Favored Pre-proline 0 N--CA 1.474 0.727 0 C-N-CA 126.438 1.895 . . . . 0.0 111.099 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.76 -41.06 49.23 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.27 2.647 . . . . 0.0 114.828 -172.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.04 -37.33 81.21 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.785 -0.572 . . . . 0.0 112.479 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.18 -53.19 61.11 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.895 0.878 . . . . 0.0 112.476 -175.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -61.87 -27.81 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -175.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 32.6 ttm -84.25 -26.28 28.77 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.32 -31.82 10.24 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.03 0.824 . . . . 0.0 114.201 175.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -39.5 113.91 0.89 Allowed Pre-proline 0 CA--C 1.557 1.247 0 C-N-CA 128.414 2.686 . . . . 0.0 115.149 -176.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.3 -42.0 68.49 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 124.199 3.266 . . . . 0.0 114.778 175.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -65.66 -39.83 91.8 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.965 1.306 . . . . 0.0 111.885 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.34 -42.05 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.702 0.801 . . . . 0.0 111.298 171.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -63.83 -43.42 96.25 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.697 1.135 . . . . 0.0 112.352 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.92 -52.91 61.23 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.451 1.1 . . . . 0.0 112.862 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -63.68 -33.36 75.46 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.832 -1.168 . . . . 0.0 111.788 172.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.49 -49.92 66.15 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.749 1.166 . . . . 0.0 113.553 169.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -55.92 -41.56 74.77 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 118.076 0.938 . . . . 0.0 111.308 169.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -70.78 -48.0 56.59 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 117.968 -1.015 . . . . 0.0 113.575 -177.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 m -58.55 -40.05 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 CA-C-N 120.631 1.559 . . . . 0.0 110.774 172.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 2.8 tt -69.77 -33.2 72.07 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.671 -0.643 . . . . 0.0 112.44 176.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.4 -37.62 82.7 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 125.482 1.515 . . . . 0.0 113.237 167.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.79 -46.67 71.31 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.606 1.203 . . . . 0.0 111.861 170.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.408 ' CD2' HD22 ' B' ' 110' ' ' LEU . 21.5 m-85 -57.41 -38.61 74.61 Favored 'General case' 0 CA--C 1.55 0.965 0 O-C-N 120.876 -1.14 . . . . 0.0 112.528 174.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.5 p -78.44 -36.36 45.63 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -57.48 -36.19 71.17 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.38 0.991 . . . . 0.0 110.928 165.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.94 -60.14 9.23 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-O 119.523 -0.598 . . . . 0.0 111.824 166.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.9 mt -54.1 -27.0 30.2 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 176.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.01 -22.9 25.22 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.496 1.518 . . . . 0.0 114.7 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -140.12 38.04 1.93 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.299 1.44 . . . . 0.0 112.558 -169.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 65.1 mt -54.06 -23.2 12.86 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -174.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -64.1 -25.86 68.29 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.88 1.672 . . . . 0.0 114.828 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -157.26 86.75 0.96 Allowed 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.403 1.001 . . . . 0.0 113.138 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 43.0 mt -73.23 -29.34 62.71 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -69.73 -18.4 63.52 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.796 -1.19 . . . . 0.0 113.638 -176.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -93.85 -43.43 3.87 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.516 1.055 . . . . 0.0 113.299 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 23.2 p -65.27 -31.54 72.74 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 118.606 1.203 . . . . 0.0 112.987 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . 0.428 ' CE2' HG22 ' B' ' 137' ' ' VAL . 14.5 m-85 -105.83 12.13 31.13 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -176.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.1 -41.42 64.93 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 121.116 1.78 . . . . 0.0 113.547 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 22.0 p -66.31 -41.47 89.67 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.082 1.353 . . . . 0.0 112.865 173.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 44.2 mt -68.81 -35.69 77.31 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.386 0.675 . . . . 0.0 111.714 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 5.5 t -63.6 -45.83 88.56 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.381 1.072 . . . . 0.0 110.21 172.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -56.96 -48.68 77.78 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.1 -1.0 . . . . 0.0 112.23 171.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 51.1 tp -52.85 -56.15 17.89 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.983 0.811 . . . . 0.0 110.691 175.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -76.32 18.77 0.28 Allowed 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 83.9 m -135.58 -76.13 0.44 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.813 1.245 . . . . 0.0 110.866 171.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.55 -29.75 70.21 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.4 1.48 . . . . 0.0 113.908 -174.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -102.11 -39.77 7.13 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.287 1.035 . . . . 0.0 112.013 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.41 ' C ' ' H ' ' B' ' 98' ' ' VAL . 0.0 OUTLIER -142.49 79.25 1.65 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.667 1.587 . . . . 0.0 110.321 -176.065 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.29 30.11 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 125.706 1.602 . . . . 0.0 113.701 172.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' VAL . . . . . 0.41 ' H ' ' C ' ' B' ' 96' ' ' LEU . 77.0 t -41.23 137.34 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 129.261 3.024 . . . . 0.0 111.85 175.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -61.83 141.47 95.27 Favored Pre-proline 0 CA--C 1.553 1.085 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -173.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.71 -28.22 68.64 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.083 2.522 . . . . 0.0 114.696 -169.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -56.92 -37.1 70.98 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.997 -1.064 . . . . 0.0 112.095 173.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -59.01 -37.46 76.93 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 121.514 -0.741 . . . . 0.0 111.982 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -69.24 -45.97 68.46 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.776 0.83 . . . . 0.0 111.151 177.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -59.05 -42.48 90.38 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.709 0.404 . . . . 0.0 111.303 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 80.1 mt -61.8 -43.77 98.19 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.809 0.844 . . . . 0.0 112.844 173.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.6 tt -61.57 -30.88 70.95 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.531 1.514 . . . . 0.0 111.719 170.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . 0.442 ' CA ' HG11 ' B' ' 134' ' ' VAL . . . -64.87 -55.47 22.03 Favored Glycine 0 CA--C 1.526 0.739 0 O-C-N 120.274 -1.516 . . . . 0.0 114.517 170.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -59.23 -20.99 58.78 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 117.961 0.881 . . . . 0.0 112.342 171.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.428 HG21 ' HA ' ' B' ' 31' ' ' LEU . 10.6 t -65.7 -56.27 15.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 O-C-N 119.849 -1.782 . . . . 0.0 112.107 166.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.408 HD22 ' CD2' ' B' ' 71' ' ' PHE . 58.8 tp -53.02 -51.15 62.62 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 118.934 0.788 . . . . 0.0 111.833 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 m -56.55 -37.17 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.354 -175.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 35.1 m -77.41 -37.8 51.09 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 117.333 -1.318 . . . . 0.0 112.954 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . 0.562 ' HA ' ' CD2' ' B' ' 116' ' ' HIS . 6.0 p -60.66 -32.5 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 CA-C-N 121.85 2.114 . . . . 0.0 112.773 174.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.425 HD13 ' CE2' ' B' ' 130' ' ' TYR . 28.1 mt -62.42 -40.5 96.77 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.703 -0.623 . . . . 0.0 110.978 171.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . 0.409 ' HB2' ' CD2' ' B' ' 122' ' ' PHE . . . -65.34 -35.96 82.56 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 169.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . 0.562 ' CD2' ' HA ' ' B' ' 113' ' ' VAL . 6.8 m-70 -66.43 -32.8 74.4 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.012 0.925 . . . . 0.0 112.027 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -91.63 -37.64 12.94 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.627 0.771 . . . . 0.0 112.723 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -121.54 35.66 4.82 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.904 1.282 . . . . 0.0 113.237 -169.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -43.32 -47.23 6.84 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.956 1.741 . . . . 0.0 116.915 -173.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -23.21 67.27 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 118.426 1.113 . . . . 0.0 114.003 178.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -106.04 -3.46 21.58 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.192 1.797 . . . . 0.0 111.966 -177.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' B' ' 115' ' ' ALA . 17.3 t80 -78.75 64.5 3.76 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.014 1.326 . . . . 0.0 111.835 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 61.4 p -59.7 157.28 28.87 Favored Pre-proline 0 N--CA 1.478 0.931 0 C-N-CA 124.981 1.313 . . . . 0.0 112.185 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -43.41 -52.94 4.64 Favored 'Trans proline' 0 CA--C 1.548 1.21 0 C-N-CA 123.326 2.684 . . . . 0.0 115.286 173.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.88 -21.33 33.08 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.737 2.291 . . . . 0.0 115.851 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -57.14 -39.47 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 120.849 1.659 . . . . 0.0 111.401 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -68.53 -45.23 72.76 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 122.715 0.406 . . . . 0.0 111.38 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.87 -39.47 77.88 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.11 0.964 . . . . 0.0 112.738 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.98 -54.45 26.07 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.427 1.091 . . . . 0.0 111.564 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.425 ' CE2' HD13 ' B' ' 114' ' ' LEU . 8.1 m-85 -58.19 -44.62 88.14 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.411 -0.805 . . . . 0.0 111.904 173.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -54.64 -44.57 73.31 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.043 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -63.61 -49.64 72.53 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 120.022 1.283 . . . . 0.0 113.752 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 8.7 p -62.53 -38.75 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 CA-C-N 119.689 1.132 . . . . 0.0 111.926 177.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.442 HG11 ' CA ' ' B' ' 107' ' ' GLY . 60.8 t -67.06 -39.92 84.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 123.572 0.749 . . . . 0.0 112.334 176.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.37 98.08 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.193 0.906 . . . . 0.0 111.87 175.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.03 -45.21 95.57 Favored Glycine 0 CA--C 1.533 1.158 0 O-C-N 121.791 -0.568 . . . . 0.0 112.535 170.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . 0.428 HG22 ' CE2' ' B' ' 85' ' ' PHE . 1.9 t -55.07 -52.4 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.875 0.87 . . . . 0.0 111.71 170.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.26 92.03 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.523 1.056 . . . . 0.0 112.058 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -57.44 -50.08 74.18 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.683 0.793 . . . . 0.0 111.501 173.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.93 99.14 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 177.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.22 -25.61 65.3 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.404 -1.435 . . . . 0.0 112.849 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.9 -3.63 58.79 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 171.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -49.16 -37.5 22.54 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -168.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -76.1 -3.71 37.53 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -142.03 2.87 1.56 Allowed 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 176.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.551 0 C-N-CA 126.268 1.827 . . . . 0.0 115.79 -175.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.513 2.717 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -146.78 161.28 40.99 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.978 1.311 . . . . 0.0 111.615 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -71.84 155.68 91.86 Favored Pre-proline 0 N--CA 1.481 1.095 0 C-N-CA 123.964 0.906 . . . . 0.0 112.229 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -67.93 -41.0 8.33 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.886 2.39 . . . . 0.0 114.26 -168.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.25 -38.31 88.77 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.495 0.589 . . . . 0.0 112.015 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -56.7 -49.75 74.19 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.279 0.632 . . . . 0.0 111.032 176.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -55.61 -44.7 77.28 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.475 0.71 . . . . 0.0 110.848 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 85.3 m -59.46 -42.79 92.82 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.193 0.597 . . . . 0.0 111.487 177.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -64.79 -38.86 92.41 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.14 0.882 . . . . 0.0 112.07 174.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 95.6 t -62.29 -49.43 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 118.698 0.681 . . . . 0.0 111.194 173.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.61 -44.21 96.57 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.988 0.813 . . . . 0.0 111.372 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.34 -52.43 65.65 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.355 0.662 . . . . 0.0 111.503 175.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.19 -55.98 28.06 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.522 0.729 . . . . 0.0 112.038 177.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . 0.413 ' CZ3' HG11 ' C' ' 17' ' ' VAL . 20.3 t-105 -63.3 -28.89 70.33 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.47 -0.769 . . . . 0.0 112.899 -176.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.75 -43.63 91.85 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.421 1.01 . . . . 0.0 113.434 169.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -73.69 -31.58 63.51 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 118.576 1.188 . . . . 0.0 111.773 174.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.424 HG12 ' HB2' ' C' ' 21' ' ' ALA . 90.6 t -67.69 -20.95 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.17 1.388 . . . . 0.0 113.327 176.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.6 139.62 2.47 Favored Glycine 0 CA--C 1.542 1.764 0 C-N-CA 124.934 1.254 . . . . 0.0 114.537 175.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 61.57 -35.79 0.11 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 128.308 2.643 . . . . 0.0 116.38 -168.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -75.69 -20.3 58.51 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.632 1.106 . . . . 0.0 113.604 174.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.424 ' HB2' HG12 ' C' ' 17' ' ' VAL . . . -47.45 -45.05 25.45 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.156 1.782 . . . . 0.0 115.095 -171.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.66 -35.56 91.25 Favored Glycine 0 N--CA 1.47 0.95 0 O-C-N 121.438 -0.789 . . . . 0.0 113.561 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -63.85 -46.88 83.0 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.156 0.982 . . . . 0.0 110.308 174.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -60.37 -39.97 89.13 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.481 0.712 . . . . 0.0 112.247 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.82 -48.53 83.34 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 118.694 0.679 . . . . 0.0 112.781 172.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.86 -46.3 89.74 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.187 0.994 . . . . 0.0 112.146 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -62.29 -40.01 94.84 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.581 -0.7 . . . . 0.0 112.64 173.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.423 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -62.77 -39.89 95.61 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.257 0.935 . . . . 0.0 112.408 178.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 56.9 mt -65.49 -49.55 68.61 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.491 1.116 . . . . 0.0 111.865 173.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.35 -43.13 99.39 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.672 -0.643 . . . . 0.0 112.461 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -60.49 -46.66 89.32 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.294 -0.879 . . . . 0.0 111.899 172.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' MET . . . . . 0.412 ' CE ' HBC2 ' C' ' 201' ' ' HEC . 38.3 ttp -54.24 -48.43 71.14 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.687 1.13 . . . . 0.0 112.03 173.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.93 -52.22 51.58 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.489 1.115 . . . . 0.0 112.99 176.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -85.88 -30.31 23.0 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -173.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 70.0 m -69.45 -28.24 65.94 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.428 1.013 . . . . 0.0 113.498 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -139.26 76.77 31.39 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 124.553 1.141 . . . . 0.0 109.684 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -48.91 -29.2 14.72 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 124.976 3.784 . . . . 0.0 116.891 -169.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 3.9 p -52.79 -35.96 57.52 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.67 1.188 . . . . 0.0 112.872 172.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 62.6 p -56.85 -27.06 59.76 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 176.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -28.78 66.28 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.624 1.102 . . . . 0.0 112.736 174.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.44 -23.12 56.63 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.49 1.116 . . . . 0.0 113.896 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.12 -38.27 79.21 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.011 0.368 . . . . 0.0 111.921 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 28.02 53.48 0.42 Allowed Pre-proline 0 CA--C 1.558 1.282 0 C-N-CA 128.669 2.787 . . . . 0.0 115.257 172.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.01 -57.37 0.16 Allowed 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 122.964 2.443 . . . . 0.0 113.389 -159.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -158.42 27.72 0.24 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.999 1.32 . . . . 0.0 112.693 171.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -141.78 173.78 11.19 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.938 1.295 . . . . 0.0 113.302 -175.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -141.56 158.41 43.88 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.413 1.485 . . . . 0.0 111.47 -177.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 19.3 mt -121.23 31.35 6.39 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.339 1.055 . . . . 0.0 112.081 -156.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 90.7 p -64.44 17.14 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 128.37 2.668 . . . . 0.0 117.438 -170.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 8.2 t60 69.86 127.89 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 128.731 2.812 . . . . 0.0 113.083 -172.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.78 20.4 75.88 Favored Glycine 0 CA--C 1.54 1.65 0 O-C-N 121.437 -0.79 . . . . 0.0 114.739 -174.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 13.9 t -57.4 125.86 24.71 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.296 1.438 . . . . 0.0 113.263 -176.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.81 -34.98 70.23 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.071 0.949 . . . . 0.0 112.666 173.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -71.12 -39.37 72.07 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.641 -0.662 . . . . 0.0 111.846 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.35 -42.33 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 119.043 0.838 . . . . 0.0 111.409 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -59.1 -49.31 78.35 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.149 0.98 . . . . 0.0 112.028 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.37 -47.01 91.35 Favored Glycine 0 N--CA 1.47 0.93 0 C-N-CA 124.211 0.91 . . . . 0.0 112.885 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -58.47 -40.54 82.99 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.492 -1.005 . . . . 0.0 111.755 172.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.24 -51.24 52.12 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.432 1.015 . . . . 0.0 113.609 171.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -57.03 -37.62 72.02 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 118.456 1.128 . . . . 0.0 113.255 171.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -69.68 -46.24 66.53 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.23 0.923 . . . . 0.0 112.312 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 91.1 t -56.21 -46.22 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 119.383 0.992 . . . . 0.0 110.495 171.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . 0.416 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -59.97 -50.31 74.25 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 176.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -60.3 -40.54 90.85 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.795 0.725 . . . . 0.0 112.147 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' ALA . . . . . 0.547 ' HB2' HMA1 ' C' ' 201' ' ' HEC . . . -62.81 -36.86 84.57 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 171.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.95 -45.67 84.78 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.498 -0.763 . . . . 0.0 111.268 170.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 28.6 m -55.72 -45.44 77.93 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 120.127 1.33 . . . . 0.0 112.045 173.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -57.37 -50.05 74.2 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.381 1.472 . . . . 0.0 111.5 172.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.76 77.84 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 174.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.24 -44.97 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 119.581 1.082 . . . . 0.0 110.825 173.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.13 -26.07 68.65 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.508 1.123 . . . . 0.0 113.469 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -130.6 34.67 4.11 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.315 1.446 . . . . 0.0 112.71 -174.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 12.1 p -58.95 -8.46 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -107.83 -2.33 20.03 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.607 1.563 . . . . 0.0 114.871 171.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -140.79 1.78 1.72 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.113 1.765 . . . . 0.0 113.926 -174.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 76' ' ' MET . . . . . 0.457 ' HA ' ' HB3' ' C' ' 79' ' ' ALA 0.31 0.0 OUTLIER -61.74 -19.62 0.55 Allowed Pre-proline 0 CA--C 1.545 0.763 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 -174.962 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -44.18 -32.83 5.28 Favored 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 123.502 2.802 . . . . 0.0 116.278 165.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -102.92 -34.55 8.91 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 172.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 79' ' ' ALA . . . . . 0.457 ' HB3' ' HA ' ' C' ' 76' ' ' MET . . . -63.86 -16.62 61.79 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 59.6 mt -110.16 17.05 21.38 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.488 1.515 . . . . 0.0 112.642 175.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 81.4 p -53.69 -43.16 68.72 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.643 1.111 . . . . 0.0 113.865 -175.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.11 -23.94 62.55 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.895 0.878 . . . . 0.0 113.349 173.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mt -95.34 -32.73 12.82 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.074 -1.016 . . . . 0.0 111.411 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 23.0 t -52.24 -42.78 63.91 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 157.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.73 -39.24 93.46 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.612 -1.305 . . . . 0.0 114.009 171.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.42 -39.3 67.21 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 120.341 1.428 . . . . 0.0 112.24 168.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -86.89 -18.09 31.71 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.52 -35.55 8.28 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -143.82 -54.95 0.37 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -54.13 -40.86 67.76 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 120.767 1.621 . . . . 0.0 113.631 -168.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 mt -136.48 -5.01 2.04 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 171.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 48.61 37.08 8.61 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 126.594 1.958 . . . . 0.0 115.161 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 45.0 t -47.68 124.41 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 126.082 1.753 . . . . 0.0 113.447 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.38 118.29 48.92 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 124.748 1.219 . . . . 0.0 112.605 176.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -46.78 -35.82 18.37 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 125.105 3.87 . . . . 0.0 116.628 -176.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 10.8 p -54.32 -34.83 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 O-C-N 120.981 -1.075 . . . . 0.0 112.901 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . 0.496 ' HB3' HMC1 ' C' ' 201' ' ' HEC . 9.6 m-80 -64.07 -33.67 76.28 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.423 -0.798 . . . . 0.0 111.44 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' C' ' 133' ' ' SER . 0.0 OUTLIER -57.72 -44.98 86.36 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 120.969 -1.082 . . . . 0.0 110.482 170.82 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -60.95 -40.0 91.63 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.222 0.609 . . . . 0.0 110.492 -172.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.73 -60.13 3.93 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.365 0.666 . . . . 0.0 110.582 172.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . 0.604 HD23 HMC3 ' C' ' 201' ' ' HEC . 0.2 OUTLIER -57.75 -35.06 70.22 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.103 0.865 . . . . 0.0 112.182 -176.06 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 42.0 t -56.54 -53.72 54.2 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.062 1.745 . . . . 0.0 112.523 174.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -60.18 -41.52 93.07 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.432 -0.792 . . . . 0.0 111.516 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 104' ' ' CYS . . . . . 0.423 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 77.6 m -66.49 -24.38 66.4 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 27.1 mt -75.38 -48.46 22.83 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.685 1.13 . . . . 0.0 111.406 169.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 32.8 mt -50.51 -43.87 55.91 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.939 0.79 . . . . 0.0 111.777 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.12 -37.54 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 175.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 22.0 p -74.83 -32.08 61.85 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 120.806 1.639 . . . . 0.0 112.07 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.52 -51.5 69.59 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.233 0.924 . . . . 0.0 109.238 165.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.15 -24.3 67.63 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.73 -10.77 21.29 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 174.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -131.4 -36.16 1.29 Allowed 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.7 mp -77.5 156.1 81.1 Favored Pre-proline 0 CA--C 1.559 1.308 0 CA-C-N 119.353 0.979 . . . . 0.0 111.559 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -54.29 -36.22 86.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 124.065 3.177 . . . . 0.0 116.254 -170.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.81 -48.11 0.21 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.468 1.107 . . . . 0.0 111.361 173.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 67.19 -9.25 0.4 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -116.02 6.17 14.04 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -166.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 3.7 p -56.78 158.38 8.83 Favored Pre-proline 0 N--CA 1.47 0.564 0 C-N-CA 123.278 0.631 . . . . 0.0 111.21 -178.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -50.63 -41.83 52.12 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.668 2.245 . . . . 0.0 113.999 172.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.49 -53.28 50.69 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.213 0.46 . . . . 0.0 111.696 174.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 44.5 t -72.5 -48.02 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 O-C-N 121.469 -0.769 . . . . 0.0 112.369 -172.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -41.72 61.77 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.958 1.254 . . . . 0.0 112.984 -175.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.8 -46.54 87.35 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.382 1.446 . . . . 0.0 110.665 174.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 45.8 t -57.19 -61.1 2.71 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 118.986 -0.53 . . . . 0.0 112.119 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.38 -41.69 98.8 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 119.513 1.051 . . . . 0.0 113.551 -175.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.9 -48.19 80.58 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 119.772 1.169 . . . . 0.0 111.357 177.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 127' ' ' LYS . . . . . 0.428 ' HA ' ' HB3' ' C' ' 130' ' ' ALA 0.32 0.0 OUTLIER -83.08 -18.01 41.13 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.957 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -71.76 -46.61 57.87 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.466 1.106 . . . . 0.0 112.082 164.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.42 -33.51 72.61 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 120.416 -1.427 . . . . 0.0 110.842 170.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . 0.428 ' HB3' ' HA ' ' C' ' 127' ' ' LYS . . . -64.17 -41.56 97.07 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 168.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 90.8 p -69.38 -42.56 75.02 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 121.708 2.049 . . . . 0.0 112.743 176.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 75.3 t -53.03 -46.74 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.943 1.297 . . . . 0.0 110.502 167.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 133' ' ' SER . . . . . 0.44 ' HB2' ' CE1' ' C' ' 98' ' ' PHE . 43.1 t -59.52 -51.01 71.69 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 118.146 -0.931 . . . . 0.0 113.106 171.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 47.5 m -50.82 -36.15 35.82 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.457 1.48 . . . . 0.0 112.616 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 54.7 t -72.66 -49.32 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 O-C-N 121.594 -0.691 . . . . 0.0 112.26 170.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.35 -39.11 69.65 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.479 1.036 . . . . 0.0 113.46 175.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 72.8 p -86.8 4.87 39.24 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 125.931 1.692 . . . . 0.0 113.366 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 5.8 p -65.25 -179.36 0.58 Allowed 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 121.961 0.886 . . . . 0.0 112.7 170.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -139.67 87.74 2.2 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.348 1.459 . . . . 0.0 109.551 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 33.79 93.06 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 127.525 2.33 . . . . 0.0 115.49 175.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 . . . . . 0 C--O 1.253 1.275 0 C-N-CA 127.116 2.167 . . . . 0.0 114.223 -174.239 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . 0.413 HG11 ' HA ' ' D' ' 133' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.515 2.792 0 CA-C-O 119.34 -0.362 . . . . 0.0 110.714 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -132.14 74.27 1.57 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.884 1.274 . . . . 0.0 110.663 -171.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.76 157.59 9.27 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 121.301 -0.875 . . . . 0.0 111.016 176.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 5.4 p -63.53 151.9 86.96 Favored Pre-proline 0 N--CA 1.479 1.008 0 CA-C-O 118.553 -0.737 . . . . 0.0 109.306 167.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.63 -37.11 91.08 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.369 2.046 . . . . 0.0 114.017 175.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -70.78 -44.61 66.32 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.303 0.641 . . . . 0.0 112.161 177.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -66.28 -38.44 87.79 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.315 -0.866 . . . . 0.0 111.56 174.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -57.0 -46.36 82.33 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.672 1.123 . . . . 0.0 111.279 172.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 21.6 t -58.33 -45.71 87.58 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.651 0.66 . . . . 0.0 110.912 173.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.76 -49.65 74.65 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 6.5 p -67.86 -50.69 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 CA-C-N 119.36 0.982 . . . . 0.0 112.098 173.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 10.0 m -72.11 -36.06 69.34 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.991 0.814 . . . . 0.0 111.788 -168.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.11 -36.14 74.64 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.762 -1.211 . . . . 0.0 112.219 175.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -69.15 -38.74 78.95 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.334 -0.854 . . . . 0.0 110.608 172.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -55.1 -42.17 72.57 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.678 -0.639 . . . . 0.0 111.742 166.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.41 -26.81 45.75 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 126.636 2.065 . . . . 0.0 116.466 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 -3.62 15.05 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 119.56 1.68 . . . . 0.0 114.51 171.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.51 136.31 20.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 124.277 1.031 . . . . 0.0 111.41 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -90.78 87.62 6.75 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 74.2 t -50.8 -38.96 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -165.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -71.74 -37.58 70.56 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 177.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -80.8 -55.17 4.99 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.091 0.556 . . . . 0.0 110.589 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.33 -32.01 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 121.169 -0.957 . . . . 0.0 112.077 176.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.96 -43.78 32.81 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-N 119.422 1.01 . . . . 0.0 112.105 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.15 -48.14 82.13 Favored Glycine 0 N--CA 1.466 0.69 0 CA-C-N 118.083 0.942 . . . . 0.0 112.604 168.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.8 -28.67 67.79 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 117.837 -1.078 . . . . 0.0 112.802 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.28 -63.9 0.97 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 121.562 1.983 . . . . 0.0 111.175 173.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 23.1 tp -67.67 -35.21 78.43 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.499 -0.751 . . . . 0.0 111.305 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.445 ' O ' HG13 ' D' ' 33' ' ' VAL . . . -52.52 -58.9 9.93 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-O 118.125 -1.375 . . . . 0.0 111.523 163.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' ARG . . . . . 0.431 ' HD2' ' HE2' ' D' ' 116' ' ' HIS . 0.5 OUTLIER -49.98 -43.53 50.37 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.658 1.729 . . . . 0.0 112.533 -179.624 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . 0.433 ' HA ' HG21 ' D' ' 109' ' ' VAL . 16.2 tp -52.02 -51.73 55.48 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.951 1.705 . . . . 0.0 110.559 175.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 mp -83.89 -9.16 58.94 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 117.555 -1.212 . . . . 0.0 113.058 -176.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' VAL . . . . . 0.445 HG13 ' O ' ' D' ' 29' ' ' GLY . 2.0 m -75.2 -26.05 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 121.212 1.824 . . . . 0.0 114.237 167.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.16 8.22 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-N 121.021 1.737 . . . . 0.0 113.752 -176.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 47.66 39.52 0.59 Allowed Pre-proline 0 CA--C 1.559 1.301 0 C-N-CA 126.489 1.916 . . . . 0.0 115.477 -167.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -76.52 160.59 35.03 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.762 1.642 . . . . 0.0 112.241 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 9.5 p90 -54.38 -26.3 29.45 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.726 1.611 . . . . 0.0 113.897 169.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 16.4 p -59.93 -15.94 25.86 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 171.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -52.92 -20.74 3.59 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 166.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -48.11 -29.77 3.92 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 173.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.05 5.14 42.46 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -177.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -55.05 -17.59 4.14 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -175.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -53.71 -31.68 49.03 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.424 1.09 . . . . 0.0 112.617 172.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 74.9 m -83.98 -2.07 55.88 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.224 1.409 . . . . 0.0 114.359 173.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -118.01 -27.04 6.24 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.164 1.386 . . . . 0.0 112.927 -169.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.36 -135.33 13.53 Favored Glycine 0 CA--C 1.534 1.28 0 CA-C-N 120.096 1.316 . . . . 0.0 113.449 175.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -47.12 95.48 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.2 2.2 . . . . 0.0 114.197 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 tt -147.36 -16.73 0.39 Allowed 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -173.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -58.59 -12.78 4.45 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.675 1.732 . . . . 0.0 115.675 -173.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 35.4 p -136.31 156.83 76.43 Favored Pre-proline 0 N--CA 1.473 0.686 0 C-N-CA 126.484 1.914 . . . . 0.0 111.002 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.66 -41.15 49.49 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.211 2.608 . . . . 0.0 114.888 -172.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.94 -37.24 81.37 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.727 -0.608 . . . . 0.0 112.616 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.34 -53.16 61.42 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.912 0.885 . . . . 0.0 112.347 -175.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -61.9 -27.64 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -175.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 32.5 ttm -84.3 -26.22 28.7 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.48 -31.67 10.21 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 123.892 0.758 . . . . 0.0 114.078 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -39.4 113.83 0.87 Allowed Pre-proline 0 CA--C 1.557 1.25 0 C-N-CA 128.48 2.712 . . . . 0.0 115.173 -177.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.27 -41.95 68.76 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 124.161 3.241 . . . . 0.0 114.781 175.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -65.66 -39.87 91.81 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.008 1.323 . . . . 0.0 111.865 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 69.4 t -64.45 -41.94 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 123.647 0.779 . . . . 0.0 111.288 171.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -63.86 -43.46 96.02 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.78 1.173 . . . . 0.0 112.313 173.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.94 -52.81 61.58 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.433 1.093 . . . . 0.0 112.788 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -63.79 -33.24 75.23 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 120.963 -1.086 . . . . 0.0 111.845 173.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.68 -49.83 67.46 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.712 1.149 . . . . 0.0 113.497 169.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -55.96 -41.37 74.62 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.12 0.96 . . . . 0.0 111.419 169.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -71.11 -47.71 56.53 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 6.5 m -58.49 -40.14 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-N 120.709 1.595 . . . . 0.0 110.696 172.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 2.9 tt -69.86 -33.2 71.94 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.596 -0.69 . . . . 0.0 112.439 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.53 -37.72 83.9 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 125.494 1.521 . . . . 0.0 113.149 167.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.63 -46.72 71.68 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.532 1.166 . . . . 0.0 111.854 170.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . 0.407 ' CD2' HD22 ' D' ' 110' ' ' LEU . 21.6 m-85 -57.43 -38.69 74.77 Favored 'General case' 0 CA--C 1.551 0.99 0 O-C-N 121.062 -1.024 . . . . 0.0 112.513 174.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 79.5 p -78.33 -36.54 46.17 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -57.16 -36.38 70.68 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.446 1.021 . . . . 0.0 110.951 165.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.91 -60.15 9.2 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-O 119.52 -0.6 . . . . 0.0 111.832 166.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mt -53.97 -27.21 29.97 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 176.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.75 -23.04 25.61 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.507 1.523 . . . . 0.0 114.725 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -139.93 38.08 1.97 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.381 1.472 . . . . 0.0 112.592 -169.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 65.6 mt -53.99 -23.26 12.67 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -174.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -64.26 -25.73 68.19 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.788 1.635 . . . . 0.0 114.779 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -157.39 86.66 0.95 Allowed 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.493 1.042 . . . . 0.0 113.059 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.25 -29.33 62.69 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -69.64 -18.43 63.59 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 120.927 -1.108 . . . . 0.0 113.743 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -93.78 -43.22 3.95 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 124.575 1.083 . . . . 0.0 113.422 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 22.6 p -65.36 -31.72 72.99 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 118.617 1.209 . . . . 0.0 112.894 175.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 85' ' ' PHE . . . . . 0.427 ' CE2' HG22 ' D' ' 137' ' ' VAL . 14.4 m-85 -105.8 12.25 31.04 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -176.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.12 -41.59 65.18 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 121.243 1.838 . . . . 0.0 113.421 -177.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 22.0 p -66.12 -41.61 90.28 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.15 1.38 . . . . 0.0 112.812 173.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 44.3 mt -68.68 -35.86 77.76 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.564 0.745 . . . . 0.0 111.764 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 5.5 t -63.62 -45.89 88.24 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 124.423 1.089 . . . . 0.0 110.054 172.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -56.98 -48.69 77.82 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.065 -1.022 . . . . 0.0 112.184 171.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 51.4 tp -52.82 -56.12 18.08 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.997 0.817 . . . . 0.0 110.724 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -76.44 18.87 0.28 Allowed 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 84.0 m -135.66 -76.18 0.44 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.771 1.228 . . . . 0.0 110.902 171.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.37 -29.87 70.18 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.416 1.486 . . . . 0.0 113.872 -175.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -102.19 -39.69 7.13 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.071 0.949 . . . . 0.0 111.931 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . 0.414 ' C ' ' H ' ' D' ' 98' ' ' VAL . 0.0 OUTLIER -142.31 79.17 1.65 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.795 1.638 . . . . 0.0 110.444 -176.054 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -67.25 30.12 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 125.635 1.574 . . . . 0.0 113.735 172.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 98' ' ' VAL . . . . . 0.414 ' H ' ' C ' ' D' ' 96' ' ' LEU . 77.6 t -41.2 137.27 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 129.295 3.038 . . . . 0.0 111.759 175.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -61.77 141.47 95.15 Favored Pre-proline 0 CA--C 1.554 1.125 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -173.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -63.89 -28.23 67.14 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.003 2.469 . . . . 0.0 114.626 -169.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -56.68 -37.23 70.56 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.058 -1.026 . . . . 0.0 112.058 173.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -59.16 -37.29 76.99 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.47 -0.769 . . . . 0.0 111.824 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -69.29 -45.96 68.35 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.892 0.877 . . . . 0.0 111.241 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -59.13 -42.39 90.53 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.906 0.482 . . . . 0.0 111.266 175.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.79 -43.85 98.02 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.835 0.854 . . . . 0.0 113.052 173.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 2.6 tt -61.28 -31.03 70.85 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 120.403 1.456 . . . . 0.0 111.757 170.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 107' ' ' GLY . . . . . 0.443 ' CA ' HG11 ' D' ' 134' ' ' VAL . . . -64.96 -55.35 22.53 Favored Glycine 0 CA--C 1.526 0.728 0 O-C-N 120.174 -1.579 . . . . 0.0 114.683 170.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -59.26 -21.18 59.22 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.734 -0.862 . . . . 0.0 112.308 171.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 109' ' ' VAL . . . . . 0.433 HG21 ' HA ' ' D' ' 31' ' ' LEU . 10.9 t -65.68 -56.19 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 O-C-N 119.932 -1.73 . . . . 0.0 112.245 166.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . 0.407 HD22 ' CD2' ' D' ' 71' ' ' PHE . 59.4 tp -53.0 -51.15 62.57 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 119.164 0.893 . . . . 0.0 111.542 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 m -56.5 -37.24 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.305 -175.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 35.4 m -77.54 -37.62 50.42 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-O 117.193 -1.384 . . . . 0.0 112.896 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 113' ' ' VAL . . . . . 0.561 ' HA ' ' CD2' ' D' ' 116' ' ' HIS . 6.0 p -60.67 -32.69 52.38 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 CA-C-N 121.89 2.132 . . . . 0.0 112.789 173.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 114' ' ' LEU . . . . . 0.427 HD13 ' CE2' ' D' ' 130' ' ' TYR . 28.0 mt -62.24 -40.57 96.6 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.647 -0.658 . . . . 0.0 110.995 171.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 115' ' ' ALA . . . . . 0.403 ' HB2' ' CD2' ' D' ' 122' ' ' PHE . . . -65.39 -35.85 82.19 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.445 0.905 . . . . 0.0 113.445 169.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 116' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' D' ' 113' ' ' VAL . 6.8 m-70 -66.42 -32.86 74.51 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.081 0.953 . . . . 0.0 111.959 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -91.63 -37.61 12.96 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.719 0.808 . . . . 0.0 112.698 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -121.73 35.81 4.79 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.742 1.217 . . . . 0.0 113.18 -169.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -43.26 -47.55 6.75 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 126.064 1.792 . . . . 0.0 116.813 -173.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -23.22 67.3 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 178.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.13 -3.31 21.61 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.22 1.808 . . . . 0.0 112.106 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 122' ' ' PHE . . . . . 0.403 ' CD2' ' HB2' ' D' ' 115' ' ' ALA . 17.3 t80 -78.86 64.51 3.84 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.13 1.372 . . . . 0.0 111.911 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 60.0 p -59.44 157.38 25.62 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 125.09 1.356 . . . . 0.0 112.126 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -43.87 -52.67 5.22 Favored 'Trans proline' 0 CA--C 1.547 1.17 0 C-N-CA 123.247 2.631 . . . . 0.0 115.225 173.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -69.94 -21.57 32.47 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.794 2.329 . . . . 0.0 115.662 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 1.1 t -56.77 -39.49 64.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 120.997 1.726 . . . . 0.0 111.581 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -68.59 -45.31 72.35 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 122.737 0.415 . . . . 0.0 111.348 176.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.3 77.78 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.002 0.921 . . . . 0.0 112.663 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.13 -54.4 26.01 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.391 1.076 . . . . 0.0 111.566 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 130' ' ' TYR . . . . . 0.427 ' CE2' HD13 ' D' ' 114' ' ' LEU . 8.0 m-85 -58.24 -44.64 88.37 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.487 -0.758 . . . . 0.0 111.837 173.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -54.55 -44.54 72.97 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.563 -0.732 . . . . 0.0 112.157 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 25.0 mtmm -63.59 -49.7 72.34 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.965 1.257 . . . . 0.0 113.711 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . 0.413 ' HA ' HG11 ' D' ' 1' ' ' VAL . 8.9 p -62.44 -38.82 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-N 119.667 1.121 . . . . 0.0 111.914 177.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 134' ' ' VAL . . . . . 0.443 HG11 ' CA ' ' D' ' 107' ' ' GLY . 61.6 t -67.13 -39.86 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 123.466 0.706 . . . . 0.0 112.349 176.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.62 -41.36 98.29 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.366 0.985 . . . . 0.0 111.909 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.21 -45.21 95.7 Favored Glycine 0 CA--C 1.533 1.176 0 O-C-N 121.915 -0.491 . . . . 0.0 112.534 170.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 137' ' ' VAL . . . . . 0.427 HG22 ' CE2' ' D' ' 85' ' ' PHE . 1.9 t -54.83 -52.64 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.883 0.873 . . . . 0.0 111.73 170.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.4 91.1 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.577 1.081 . . . . 0.0 112.183 -178.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -57.35 -50.11 74.01 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.71 0.804 . . . . 0.0 111.492 172.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.89 99.09 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 13.9 mt -68.18 -25.6 65.33 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.282 -1.512 . . . . 0.0 112.827 175.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.93 -3.5 58.75 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 171.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -49.34 -37.49 24.73 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -168.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -75.99 -3.71 37.14 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -142.14 3.25 1.56 Allowed 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.259 1.554 0 C-N-CA 126.383 1.873 . . . . 0.0 115.652 -175.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.595 HMC3 HD23 ' A' ' 101' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 201' ' ' HEC . . . . . 0.604 HMC3 HD23 ' C' ' 101' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.509 2.493 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.8 mt -136.19 -179.13 5.49 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.739 1.616 . . . . 0.0 111.276 -173.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -112.47 166.09 11.7 Favored Pre-proline 0 N--CA 1.479 1.008 0 C-N-CA 126.097 1.759 . . . . 0.0 110.54 -172.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -78.62 -42.55 0.2 Allowed 'Trans proline' 0 CA--C 1.538 0.694 0 CA-C-N 121.583 1.601 . . . . 0.0 113.134 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.27 -33.48 75.4 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.05 -43.22 81.77 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.18 0.446 . . . . 0.0 110.964 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -55.95 -48.79 75.12 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.45 1.1 . . . . 0.0 110.954 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -56.83 -44.78 82.39 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.639 0.776 . . . . 0.0 111.437 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -67.89 -39.44 83.64 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.691 0.678 . . . . 0.0 112.482 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.7 t -61.99 -51.61 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.716 0.806 . . . . 0.0 110.654 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -60.44 -42.81 96.86 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.748 0.704 . . . . 0.0 111.179 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.9 -50.25 73.98 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.207 0.603 . . . . 0.0 111.685 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.35 -54.17 44.36 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.549 0.613 . . . . 0.0 111.975 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -63.01 -26.32 68.8 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -176.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.83 -38.56 94.19 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.445 1.022 . . . . 0.0 113.78 168.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.2 mmtt -73.72 -33.07 64.2 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 118.088 0.944 . . . . 0.0 111.673 173.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.437 HG13 ' CD2' ' A' ' 24' ' ' TYR . 99.9 t -68.85 -24.78 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.539 1.536 . . . . 0.0 113.092 176.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.77 125.41 1.75 Allowed Glycine 0 CA--C 1.541 1.69 0 C-N-CA 125.133 1.349 . . . . 0.0 114.13 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 77.33 -38.68 0.29 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 128.997 2.919 . . . . 0.0 114.655 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -74.77 -17.66 60.6 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.152 0.981 . . . . 0.0 113.152 172.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' HB2' HG12 ' A' ' 17' ' ' VAL . . . -44.85 -49.75 10.69 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.155 2.182 . . . . 0.0 114.754 -172.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.41 -37.44 94.82 Favored Glycine 0 N--CA 1.469 0.865 0 O-C-N 121.957 -0.464 . . . . 0.0 113.594 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -41.94 83.74 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.709 0.804 . . . . 0.0 111.067 175.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.437 ' CD2' HG13 ' A' ' 17' ' ' VAL . 14.8 m-30 -63.91 -39.6 94.55 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.276 0.943 . . . . 0.0 112.233 174.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.39 -59.16 11.35 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 123.708 0.67 . . . . 0.0 111.607 170.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.63 -52.3 40.85 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.466 1.506 . . . . 0.0 112.716 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.16 -38.16 79.06 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.961 1.304 . . . . 0.0 112.398 175.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.28 82.34 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.188 0.904 . . . . 0.0 112.307 177.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 mt -62.61 -47.92 81.67 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.324 0.511 . . . . 0.0 110.286 170.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.57 -46.93 87.46 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.415 0.686 . . . . 0.0 111.131 -177.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -54.81 -50.73 67.84 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.877 1.271 . . . . 0.0 111.397 169.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.504 ' CE ' HBC2 ' A' ' 201' ' ' HEC . 49.8 ttp -57.14 -44.29 83.25 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.513 1.052 . . . . 0.0 112.084 178.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.79 -23.08 65.98 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.7 mt -98.32 -40.97 8.07 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.867 0.867 . . . . 0.0 110.7 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.9 m -77.29 -18.75 57.28 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.881 2.073 . . . . 0.0 113.588 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -140.38 80.54 19.1 Favored Pre-proline 0 CA--C 1.537 0.471 0 C-N-CA 126.003 1.721 . . . . 0.0 108.849 174.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -45.91 -26.53 3.43 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 124.434 3.423 . . . . 0.0 114.36 174.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.607 ' O ' HG22 ' A' ' 41' ' ' THR . 41.7 m -41.16 -29.4 0.12 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.292 2.237 . . . . 0.0 115.991 164.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.8 p -80.99 -25.56 37.19 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 122.908 2.594 . . . . 0.0 113.926 175.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -56.71 -35.05 68.08 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 119.975 1.262 . . . . 0.0 111.753 168.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 38' ' ' THR . 0.6 OUTLIER -62.82 -19.47 64.1 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 175.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.35 0.72 3.58 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.029 -1.045 . . . . 0.0 113.632 171.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.7 t80 59.8 60.29 4.34 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 125.653 1.581 . . . . 0.0 112.373 171.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -59.22 136.96 76.03 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 124.006 3.137 . . . . 0.0 113.307 -167.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -78.16 13.99 1.3 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.796 1.238 . . . . 0.0 113.777 175.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -139.56 151.83 46.39 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.885 1.674 . . . . 0.0 111.406 -173.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -83.05 146.97 28.42 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.294 0.638 . . . . 0.0 111.324 169.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.8 28.34 1.16 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.972 0.909 . . . . 0.0 113.429 -172.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.5 p -62.62 -56.81 14.35 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.247 1.019 . . . . 0.0 112.667 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -163.86 141.08 7.04 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.259 1.824 . . . . 0.0 110.863 172.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.77 25.64 59.19 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 116.44 1.336 . . . . 0.0 116.44 168.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.9 t -55.79 133.42 51.04 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.177 1.391 . . . . 0.0 114.338 -170.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.43 -27.14 65.79 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.197 1.399 . . . . 0.0 113.513 172.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -84.72 -40.49 17.26 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.4 0.68 . . . . 0.0 111.341 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.7 t -65.19 -41.03 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-O 118.639 -0.696 . . . . 0.0 112.095 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -61.47 -40.34 94.19 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 119.908 1.231 . . . . 0.0 112.942 174.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.38 -52.42 31.21 Favored Glycine 0 N--CA 1.472 1.063 0 C-N-CA 124.354 0.978 . . . . 0.0 112.222 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.26 -40.8 74.78 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.039 0.935 . . . . 0.0 111.941 173.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.49 -49.51 68.79 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 124.036 0.826 . . . . 0.0 113.328 172.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -55.49 -41.72 73.44 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.533 1.166 . . . . 0.0 112.262 171.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.401 ' HB3' HMA3 ' A' ' 201' ' ' HEC . 11.2 mmpt? -61.38 -50.88 71.11 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.316 0.962 . . . . 0.0 112.166 175.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.4 t -57.7 -42.45 81.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 CA-C-N 119.326 0.967 . . . . 0.0 110.92 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.416 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -62.7 -47.23 84.55 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 176.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -61.18 -38.38 86.33 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.377 0.99 . . . . 0.0 111.929 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.41 ' HB2' HMA1 ' A' ' 201' ' ' HEC . . . -62.6 -43.0 99.9 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.742 -0.599 . . . . 0.0 112.422 171.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.57 -45.09 92.86 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.302 170.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.0 m -56.11 -45.41 79.48 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.761 1.164 . . . . 0.0 111.722 172.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -27.72 67.13 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 120.344 1.429 . . . . 0.0 112.769 176.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.01 -45.9 69.34 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.244 0.929 . . . . 0.0 111.413 169.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.8 t -59.73 -46.83 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 119.808 1.186 . . . . 0.0 111.368 174.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.81 -26.13 67.92 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.86 1.264 . . . . 0.0 113.949 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -130.66 32.71 4.35 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.858 1.263 . . . . 0.0 111.002 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.7 p -60.78 -20.96 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -164.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.43 6.59 26.39 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 119.752 1.16 . . . . 0.0 113.359 170.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -141.26 29.32 1.81 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 128.031 2.533 . . . . 0.0 110.832 -165.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -112.81 40.07 0.21 Allowed Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 125.243 1.417 . . . . 0.0 114.587 -175.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -64.7 -29.05 60.13 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 CA-C-N 122.935 2.084 . . . . 0.0 113.257 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -130.25 -0.3 4.58 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.86 -16.18 63.7 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.115 -1.615 . . . . 0.0 114.344 -174.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.8 mt -104.1 13.52 32.3 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.966 1.306 . . . . 0.0 111.835 169.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.6 t -57.93 -41.99 83.9 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 119.948 1.249 . . . . 0.0 112.208 -172.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.25 -27.21 44.81 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 172.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.2 mt -87.82 -38.46 15.69 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.427 1.091 . . . . 0.0 110.517 -178.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.7 p -64.61 -33.75 76.67 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 168.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -62.01 -48.11 81.78 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.955 1.302 . . . . 0.0 110.779 170.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.6 tp -53.33 -44.47 68.48 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 121.284 -0.885 . . . . 0.0 112.033 169.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -76.88 18.03 0.38 Allowed 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 125.711 1.604 . . . . 0.0 114.105 175.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.34 -46.08 0.17 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -176.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -59.15 -35.29 73.24 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.61 1.164 . . . . 0.0 111.571 172.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -144.56 -172.05 3.73 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 128.672 2.789 . . . . 0.0 109.114 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 82.3 mt 27.1 73.31 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.077 2.151 . . . . 0.0 114.208 167.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -38.57 -54.62 1.51 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.209 1.403 . . . . 0.0 112.714 -177.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 98.6 t 48.06 71.82 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 122.809 1.29 . . . . 0.0 111.13 176.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -58.7 147.21 71.99 Favored Pre-proline 0 CA--C 1.544 0.743 0 O-C-N 120.725 -1.234 . . . . 0.0 112.313 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.81 -24.52 31.16 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 123.531 2.821 . . . . 0.0 115.197 -168.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 18.1 t -39.53 -52.28 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.996 1.318 . . . . 0.0 112.036 165.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.644 ' HB3' HMC1 ' A' ' 201' ' ' HEC . 3.0 m-80 -57.29 -39.95 76.81 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -40.11 78.98 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 119.123 -0.465 . . . . 0.0 110.959 178.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -61.2 -42.08 97.95 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.551 0.614 . . . . 0.0 110.044 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.42 ' HG ' ' H ' ' A' ' 100' ' ' LEU . 1.8 mt -59.06 -55.96 28.4 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.333 1.053 . . . . 0.0 109.245 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.65 HD23 HMC3 ' A' ' 201' ' ' HEC . 0.1 OUTLIER -59.46 -34.02 72.02 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 122.803 0.441 . . . . 0.0 112.07 176.23 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.8 m -68.79 -39.18 80.28 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.937 -1.102 . . . . 0.0 113.471 176.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -59.4 -44.2 92.87 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.322 -0.861 . . . . 0.0 110.407 167.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 73.2 m -63.11 -32.36 73.73 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 174.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.7 mt -69.99 -48.62 57.45 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.646 1.178 . . . . 0.0 111.728 170.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.0 mt -53.18 -41.71 65.51 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.357 -0.839 . . . . 0.0 110.308 174.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 27.1 t -58.22 -48.58 84.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.033 0.933 . . . . 0.0 113.168 171.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.2 p -67.72 -35.28 78.48 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 120.266 1.394 . . . . 0.0 112.454 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.05 -48.37 82.0 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.59 0.632 . . . . 0.0 110.119 171.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.2 68.9 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.25 -6.63 10.11 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 176.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -139.04 -44.9 0.47 Allowed 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.792 1.178 . . . . 0.0 114.079 -175.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.8 mp -78.0 141.8 63.69 Favored Pre-proline 0 CA--C 1.559 1.297 0 CA-C-O 116.482 -1.723 . . . . 0.0 108.004 169.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -54.14 -122.5 0.0 OUTLIER 'Trans proline' 0 CA--C 1.555 1.547 1 C-N-CA 126.677 4.918 . . . . 0.0 117.446 -177.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.34 54.31 0.05 Allowed 'General case' 0 CA--C 1.543 0.696 0 O-C-N 118.98 -2.325 . . . . 0.0 110.465 159.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.31 -19.7 9.35 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.511 -1.368 . . . . 0.0 112.768 -178.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.76 37.81 1.27 Allowed 'General case' 0 N--CA 1.434 -1.234 0 C-N-CA 126.308 1.843 . . . . 0.0 113.231 176.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 p -53.67 160.03 2.23 Favored Pre-proline 0 N--CA 1.475 0.797 0 O-C-N 120.948 -1.095 . . . . 0.0 110.19 169.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -47.25 -44.94 23.26 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.097 1.865 . . . . 0.0 115.106 169.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.16 -54.33 35.47 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.497 0.59 . . . . 0.0 110.931 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.0 t -76.89 -34.09 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.401 -0.812 . . . . 0.0 112.935 -168.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -73.43 -48.75 31.26 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.971 1.308 . . . . 0.0 112.349 175.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.15 -47.94 79.93 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 118.791 0.723 . . . . 0.0 109.687 173.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.0 t -53.92 -61.81 2.06 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 123.959 0.904 . . . . 0.0 112.51 174.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 59.2 mt -60.66 -42.83 97.82 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.964 1.256 . . . . 0.0 112.049 -175.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.86 -43.21 93.71 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 120.123 1.329 . . . . 0.0 112.175 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -30.12 61.9 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.301 0.955 . . . . 0.0 113.172 177.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -61.46 -58.93 6.19 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 124.718 1.207 . . . . 0.0 109.923 169.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.25 -42.79 70.32 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.506 0.722 . . . . 0.0 110.756 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.57 -42.69 75.07 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.051 1.296 . . . . 0.0 112.664 173.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.7 m -70.4 -32.22 69.77 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 171.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 83.3 t -55.2 -50.3 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 120.237 1.38 . . . . 0.0 108.831 167.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.5 t -58.37 -49.02 78.73 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.103 0.961 . . . . 0.0 113.278 174.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 96.7 m -51.37 -46.01 62.63 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.067 0.849 . . . . 0.0 110.695 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 79.9 t -68.16 -41.67 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 O-C-N 121.47 -0.769 . . . . 0.0 112.194 174.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -6.21 3.32 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 120.395 -1.441 . . . . 0.0 113.15 171.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 61.8 m -116.42 -20.78 9.55 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.995 2.118 . . . . 0.0 112.047 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 50.8 m -148.27 131.61 16.56 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.182 1.393 . . . . 0.0 112.006 -172.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.48 -131.02 0.31 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.038 1.735 . . . . 0.0 110.81 -175.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -52.02 -27.95 15.36 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 174.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? . . . . . 0 C--O 1.253 1.272 0 C-N-CA 127.33 2.252 . . . . 0.0 109.562 166.446 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.289 2.5 p . . . . . 0 N--CA 1.515 2.816 0 CA-C-O 117.498 -1.239 . . . . 0.0 113.209 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 9.19 75.08 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 129.191 2.996 . . . . 0.0 116.263 -172.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.85 154.32 34.01 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.846 -0.534 . . . . 0.0 112.013 -170.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.44 145.74 96.93 Favored Pre-proline 0 N--CA 1.482 1.169 0 CA-C-O 118.133 -0.937 . . . . 0.0 109.76 168.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -52.22 -39.55 71.5 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 123.466 2.777 . . . . 0.0 115.943 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.73 -41.27 79.22 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.026 0.83 . . . . 0.0 111.828 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -67.61 -42.99 81.52 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 118.807 -0.616 . . . . 0.0 111.001 176.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -53.95 -53.85 47.07 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.271 1.029 . . . . 0.0 110.82 168.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.5 t -53.58 -46.11 70.22 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.412 0.551 . . . . 0.0 111.442 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.02 -53.28 60.22 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 175.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -63.71 -49.05 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 CA-C-N 119.914 1.234 . . . . 0.0 111.839 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -71.47 -34.68 70.42 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.787 1.176 . . . . 0.0 112.377 -173.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.29 -39.42 85.98 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 120.097 1.317 . . . . 0.0 112.193 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tt -73.04 -26.87 61.45 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.525 -0.734 . . . . 0.0 111.297 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -63.62 -43.18 97.62 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.1 -1.0 . . . . 0.0 111.894 162.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.56 -31.78 45.02 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.726 1.631 . . . . 0.0 115.261 -178.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -96.35 -9.36 30.25 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 174.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.1 142.25 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 124.235 1.014 . . . . 0.0 112.046 -171.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -90.99 76.14 6.25 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.34 1.056 . . . . 0.0 109.852 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 85.3 t -47.83 -40.07 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 -163.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -68.41 -49.2 61.75 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.65 1.114 . . . . 0.0 112.712 173.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.02 -51.25 14.05 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.511 0.724 . . . . 0.0 111.023 -173.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.56 -31.33 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.663 1.185 . . . . 0.0 111.564 176.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.02 -42.87 35.61 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 118.965 0.802 . . . . 0.0 111.668 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.38 -44.48 96.77 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 117.808 0.804 . . . . 0.0 112.774 172.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.4 -48.87 79.9 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 123.494 0.717 . . . . 0.0 111.244 170.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.73 -56.18 25.48 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.755 1.616 . . . . 0.0 112.418 177.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 56.8 tp -67.06 -40.35 87.07 Favored 'General case' 0 C--O 1.225 -0.219 0 O-C-N 121.401 -0.812 . . . . 0.0 111.662 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.28 -50.18 70.59 Favored Glycine 0 C--N 1.333 0.394 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 173.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -52.68 -35.95 56.18 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.991 1.316 . . . . 0.0 113.805 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 18.1 tp -52.58 -41.93 64.06 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.058 1.299 . . . . 0.0 109.816 174.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -88.53 -28.87 20.49 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 117.993 -1.004 . . . . 0.0 111.67 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 4.7 m -56.84 -25.82 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 CA-C-N 121.152 1.796 . . . . 0.0 113.659 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -2.54 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-N 119.416 1.007 . . . . 0.0 113.266 175.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 t80 54.71 35.75 0.3 Allowed Pre-proline 0 CA--C 1.561 1.378 0 C-N-CA 126.221 1.808 . . . . 0.0 115.038 -169.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -78.79 172.85 14.43 Favored 'Trans proline' 0 C--N 1.36 1.132 0 C-N-CA 122.975 2.45 . . . . 0.0 112.008 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 8.3 p90 -56.6 -29.94 62.67 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 172.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.99 -23.92 62.28 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.947 -1.095 . . . . 0.0 113.461 171.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -57.96 -26.83 62.82 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.047 -1.033 . . . . 0.0 112.826 171.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -64.41 -13.57 51.84 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.64 15.16 18.84 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 119.288 0.949 . . . . 0.0 113.432 172.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -53.64 -27.8 29.29 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -176.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -47.92 -37.43 14.29 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.851 1.26 . . . . 0.0 113.757 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 19.3 m -65.52 -21.64 66.63 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 178.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -109.96 -8.76 14.81 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.855 1.662 . . . . 0.0 112.174 175.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.0 -160.75 6.9 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 124.494 1.045 . . . . 0.0 113.79 -171.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 39.02 -122.73 0.32 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.43 1.892 . . . . 0.0 112.737 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 8.7 tt 58.63 -10.38 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.994 2.117 . . . . 0.0 116.6 -177.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 11.9 m -51.32 -19.49 1.31 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.021 1.728 . . . . 0.0 115.597 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 61.3 p -134.24 158.99 74.02 Favored Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 125.564 1.546 . . . . 0.0 111.257 166.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -56.03 -42.53 65.7 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 123.601 2.867 . . . . 0.0 114.712 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.15 -36.6 84.57 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.123 0.569 . . . . 0.0 111.65 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.38 93.78 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.86 -31.99 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 CA-C-N 120.991 1.723 . . . . 0.0 113.431 -175.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 16.3 ptp -92.49 -18.19 23.52 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.18 -31.42 17.05 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 123.792 0.71 . . . . 0.0 114.581 171.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -59.3 125.3 78.54 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 125.268 1.427 . . . . 0.0 113.356 -173.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -64.49 -30.4 61.74 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.786 2.324 . . . . 0.0 113.825 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -69.04 -36.32 77.59 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.479 1.036 . . . . 0.0 112.799 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 76.8 t -65.06 -40.27 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.765 1.226 . . . . 0.0 110.988 166.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -62.46 -45.7 91.84 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 120.151 1.341 . . . . 0.0 111.954 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.07 -50.01 72.27 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.906 1.283 . . . . 0.0 113.412 176.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -62.02 -37.05 83.43 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.991 -1.068 . . . . 0.0 112.06 172.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.63 -48.74 64.21 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 124.733 1.159 . . . . 0.0 112.412 169.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -54.79 -43.55 72.96 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.842 1.657 . . . . 0.0 111.742 172.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -66.32 -55.57 15.34 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.39 1.076 . . . . 0.0 113.397 174.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 4.3 m -60.09 -39.99 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 120.855 1.661 . . . . 0.0 112.108 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.7 tt -69.67 -40.27 76.53 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.631 -0.668 . . . . 0.0 111.013 175.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.38 -36.6 84.63 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.996 1.284 . . . . 0.0 113.796 173.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.81 -49.71 67.29 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.366 1.083 . . . . 0.0 111.908 168.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -54.65 -40.65 69.23 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 174.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 84.4 p -71.17 -34.32 70.85 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 120.81 -1.182 . . . . 0.0 113.473 173.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.36 -28.4 65.08 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.129 0.877 . . . . 0.0 112.034 166.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.81 -63.9 4.85 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 124.169 0.89 . . . . 0.0 111.858 164.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.54 -34.42 36.37 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 118.53 1.165 . . . . 0.0 113.566 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.94 -18.48 58.24 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.22 39.33 1.0 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.274 1.43 . . . . 0.0 112.991 -170.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 70.2 mt -57.14 -21.53 33.32 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.663 -1.273 . . . . 0.0 114.171 -178.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -65.7 -11.49 45.66 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.236 2.214 . . . . 0.0 115.561 174.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -113.94 -60.34 1.9 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.877 1.217 . . . . 0.0 113.804 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 53.23 9.26 0.14 Allowed 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 118.627 2.825 . . . . 0.0 118.627 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -133.34 -61.44 0.82 Allowed 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 120.205 1.366 . . . . 0.0 111.815 171.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.23 -39.92 82.98 Favored Glycine 0 N--CA 1.478 1.493 0 CA-C-N 118.926 0.785 . . . . 0.0 114.64 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.4 t -66.58 -14.95 63.04 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 175.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -122.85 -1.1 8.94 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.811 1.644 . . . . 0.0 114.693 -176.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.91 -33.15 71.48 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 120.906 1.684 . . . . 0.0 114.506 -171.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 19.4 p -64.72 -40.96 96.22 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.189 -0.945 . . . . 0.0 112.009 170.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 18.9 mt -73.45 -39.46 64.94 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-O 118.317 -0.849 . . . . 0.0 112.127 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 83.7 p -64.59 -38.38 90.81 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 120.221 1.373 . . . . 0.0 111.569 175.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -65.32 -44.85 86.52 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.054 0.542 . . . . 0.0 112.167 172.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 51.6 tp -55.49 -56.46 19.98 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.261 -0.899 . . . . 0.0 110.913 171.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -77.0 30.09 0.13 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.124 1.77 . . . . 0.0 113.653 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . 0.536 ' SG ' HG21 ' C' ' 41' ' ' THR . 3.8 t -149.85 -80.64 0.12 Allowed 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.848 0.859 . . . . 0.0 108.848 169.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.92 -17.17 49.49 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.762 2.025 . . . . 0.0 115.732 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -112.93 -35.74 5.34 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.267 1.427 . . . . 0.0 112.137 171.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 13.3 mt -133.5 84.95 2.17 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.081 2.152 . . . . 0.0 108.136 -174.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -33.08 61.01 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -173.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 59.8 t 19.52 96.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 129.083 2.953 . . . . 0.0 114.968 160.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -55.12 132.64 68.6 Favored Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -176.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -53.18 -19.81 13.03 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 124.506 3.471 . . . . 0.0 118.094 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -52.65 -33.41 46.85 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 120.73 -1.231 . . . . 0.0 112.017 166.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.92 -38.52 88.74 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.977 -1.077 . . . . 0.0 112.095 172.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -68.43 -42.72 78.48 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.903 0.881 . . . . 0.0 110.595 176.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -57.64 -49.89 74.95 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.726 0.81 . . . . 0.0 110.66 172.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 84.5 mt -57.82 -50.81 72.03 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 118.354 -0.832 . . . . 0.0 112.279 175.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.418 HD13 HBB3 ' B' ' 201' ' ' HEC . 3.6 tt -55.67 -36.05 66.67 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 120.173 1.351 . . . . 0.0 110.909 173.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . 0.474 ' CA ' HG11 ' B' ' 134' ' ' VAL . . . -67.33 -54.02 22.36 Favored Glycine 0 CA--C 1.519 0.302 0 O-C-N 120.921 -1.112 . . . . 0.0 114.975 176.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -55.67 -35.2 65.72 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.395 1.097 . . . . 0.0 110.14 171.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 t -65.49 -41.15 90.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-O 117.585 -1.197 . . . . 0.0 113.127 173.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 66.2 tp -58.97 -53.46 58.17 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 121.543 1.974 . . . . 0.0 111.129 176.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.471 HG12 ' HB3' ' B' ' 130' ' ' TYR . 1.3 m -55.44 -37.77 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -171.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 48.7 t -77.02 -27.72 54.68 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -172.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 p -68.68 -38.87 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 O-C-N 119.991 -1.693 . . . . 0.0 110.819 170.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.21 -37.11 81.82 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.713 0.688 . . . . 0.0 110.653 171.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . 0.42 ' HB2' ' CE2' ' B' ' 122' ' ' PHE . . . -59.8 -27.14 66.33 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 170.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -75.23 -61.67 1.82 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 120.571 1.532 . . . . 0.0 111.744 167.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -63.64 -24.06 67.64 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -169.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -132.36 24.01 4.45 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.322 1.449 . . . . 0.0 111.999 -174.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -46.02 -41.01 10.39 Favored Glycine 0 N--CA 1.475 1.293 0 C-N-CA 125.688 1.613 . . . . 0.0 116.09 -173.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -63.55 -22.06 66.68 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -105.37 -2.51 23.78 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.383 1.873 . . . . 0.0 112.61 174.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . 0.42 ' CE2' ' HB2' ' B' ' 115' ' ' ALA . 6.1 t80 -86.45 58.27 4.96 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.776 -1.202 . . . . 0.0 113.114 -169.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 32.1 p -53.45 157.9 3.22 Favored Pre-proline 0 N--CA 1.481 1.097 0 C-N-CA 126.228 1.811 . . . . 0.0 113.773 -174.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -47.54 -49.9 12.45 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.508 2.139 . . . . 0.0 115.218 170.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.39 -27.0 40.57 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 121.336 1.357 . . . . 0.0 114.418 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.8 -40.01 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 122.091 2.223 . . . . 0.0 111.903 176.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -60.35 -42.15 95.15 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.894 0.77 . . . . 0.0 111.198 176.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.8 -32.07 73.11 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.98 -51.96 53.7 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.472 -0.767 . . . . 0.0 110.398 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.471 ' HB3' HG12 ' B' ' 111' ' ' VAL . 47.6 m-85 -52.03 -48.75 64.4 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.41 0.55 . . . . 0.0 111.276 169.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 15.1 tm0? -54.4 -46.47 73.14 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 118.166 -0.921 . . . . 0.0 112.736 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -63.36 -41.78 98.84 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.792 1.633 . . . . 0.0 113.232 -176.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 1.6 p -73.8 -38.75 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 119.154 0.888 . . . . 0.0 112.215 174.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.474 HG11 ' CA ' ' B' ' 107' ' ' GLY . 88.8 t -72.19 -34.84 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 118.805 0.729 . . . . 0.0 112.453 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.08 93.16 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 120.956 -1.09 . . . . 0.0 111.476 167.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -53.07 -52.98 36.38 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-O 119.69 -0.505 . . . . 0.0 112.349 166.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.0 -42.84 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 118.391 1.096 . . . . 0.0 112.388 175.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.92 -47.69 83.8 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.439 -0.788 . . . . 0.0 111.664 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.3 -31.97 73.38 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.75 -0.594 . . . . 0.0 112.073 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.18 -48.67 64.64 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.733 0.813 . . . . 0.0 111.382 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.12 -34.49 75.05 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.433 -0.792 . . . . 0.0 111.569 173.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.23 -4.29 24.9 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 172.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -57.67 -43.08 84.75 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 121.249 1.84 . . . . 0.0 113.363 -176.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -73.97 2.06 9.51 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.806 1.242 . . . . 0.0 113.664 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.42 -28.52 6.83 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 128.018 2.527 . . . . 0.0 111.891 -176.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 . . . . . 0 C--O 1.257 1.463 0 C-N-CA 128.651 2.78 . . . . 0.0 115.783 -174.852 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.25 5.3 p . . . . . 0 N--CA 1.51 2.55 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 21.1 mt -136.28 -179.21 5.54 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.865 1.666 . . . . 0.0 111.256 -173.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -112.42 165.98 11.91 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 126.104 1.762 . . . . 0.0 110.475 -172.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -78.62 -42.48 0.21 Allowed 'Trans proline' 0 CA--C 1.538 0.71 0 CA-C-N 121.537 1.585 . . . . 0.0 113.107 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.31 -33.44 75.29 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.624 -0.673 . . . . 0.0 112.758 -177.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.05 -43.27 81.83 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 118.204 0.456 . . . . 0.0 110.985 177.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -55.86 -48.78 74.93 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.523 1.129 . . . . 0.0 111.013 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 98.1 m -56.83 -44.83 82.47 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.685 0.794 . . . . 0.0 111.5 177.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -67.99 -39.43 83.25 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.589 -0.694 . . . . 0.0 112.327 177.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 87.8 t -61.97 -51.72 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.713 0.805 . . . . 0.0 110.639 174.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -60.29 -42.96 96.58 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.734 0.697 . . . . 0.0 111.173 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.78 -50.28 73.78 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.206 0.603 . . . . 0.0 111.647 175.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.23 -54.2 44.33 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.541 0.61 . . . . 0.0 112.049 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -63.08 -26.31 68.77 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.207 -0.933 . . . . 0.0 113.294 -175.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.76 -38.69 94.28 Favored Glycine 0 CA--C 1.538 1.511 0 O-C-N 121.022 -1.049 . . . . 0.0 113.778 168.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -73.59 -33.18 64.5 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 118.025 0.913 . . . . 0.0 111.629 173.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.424 HG13 ' CD2' ' C' ' 24' ' ' TYR . 97.6 t -68.9 -24.74 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.539 1.536 . . . . 0.0 113.048 176.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.84 125.59 1.79 Allowed Glycine 0 CA--C 1.542 1.735 0 C-N-CA 125.142 1.353 . . . . 0.0 114.109 175.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 76.91 -38.38 0.3 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 129.004 2.921 . . . . 0.0 114.776 -174.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -74.88 -17.67 60.55 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.213 1.005 . . . . 0.0 113.123 172.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.415 ' HB2' HG12 ' C' ' 17' ' ' VAL . . . -44.77 -49.71 10.5 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.155 2.182 . . . . 0.0 114.724 -172.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.7 -37.22 94.39 Favored Glycine 0 N--CA 1.47 0.923 0 O-C-N 121.856 -0.528 . . . . 0.0 113.541 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -42.16 83.59 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.773 0.829 . . . . 0.0 111.025 175.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . 0.424 ' CD2' HG13 ' C' ' 17' ' ' VAL . 14.7 m-30 -63.73 -39.4 94.21 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.309 0.958 . . . . 0.0 112.358 174.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.45 -59.28 11.13 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 123.706 0.67 . . . . 0.0 111.616 170.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.73 -52.21 42.56 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.453 1.501 . . . . 0.0 112.7 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.08 -38.31 79.16 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 124.865 1.266 . . . . 0.0 112.444 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.51 -36.07 81.81 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 119.14 0.882 . . . . 0.0 112.228 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.78 -47.75 82.13 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.423 0.556 . . . . 0.0 110.335 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.85 -46.8 88.13 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.332 0.653 . . . . 0.0 111.152 -177.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -54.57 -50.94 66.77 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 124.896 1.278 . . . . 0.0 111.413 169.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' MET . . . . . 0.508 ' CE ' HBC2 ' C' ' 201' ' ' HEC . 49.7 ttp -57.01 -44.52 82.9 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.397 0.999 . . . . 0.0 112.146 178.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -61.74 -23.33 66.09 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 47.9 mt -97.94 -40.85 8.27 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.81 0.844 . . . . 0.0 110.642 -178.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 54.2 m -77.4 -18.72 57.04 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.919 2.088 . . . . 0.0 113.589 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -140.44 80.45 19.05 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 125.977 1.711 . . . . 0.0 108.806 174.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -45.79 -26.65 3.33 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 124.423 3.415 . . . . 0.0 114.323 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . 0.611 ' O ' HG22 ' C' ' 41' ' ' THR . 41.4 m -41.08 -29.35 0.11 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.163 2.185 . . . . 0.0 116.001 164.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 70.3 p -81.12 -25.52 36.88 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 122.938 2.608 . . . . 0.0 113.962 175.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -56.75 -34.86 67.98 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 119.948 1.249 . . . . 0.0 111.72 168.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . 0.611 HG22 ' O ' ' C' ' 38' ' ' THR . 0.6 OUTLIER -62.96 -19.76 64.59 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 175.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.19 0.74 3.41 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.034 -1.041 . . . . 0.0 113.728 171.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 2.7 t80 59.96 60.22 4.22 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 125.513 1.525 . . . . 0.0 112.402 171.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -59.24 136.87 75.32 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 124.023 3.149 . . . . 0.0 113.198 -167.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -78.12 14.04 1.28 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.782 1.233 . . . . 0.0 113.741 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -139.54 151.78 46.39 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.855 1.662 . . . . 0.0 111.45 -173.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -83.01 146.85 28.52 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.35 0.66 . . . . 0.0 111.39 169.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.71 28.42 1.16 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.142 0.977 . . . . 0.0 113.532 -172.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 19.1 p -62.76 -56.73 14.93 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.263 1.025 . . . . 0.0 112.67 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -163.87 141.06 7.02 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.404 1.882 . . . . 0.0 110.85 172.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.76 25.69 59.24 Favored Glycine 0 CA--C 1.54 1.641 0 N-CA-C 116.445 1.338 . . . . 0.0 116.445 168.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -55.93 133.53 51.56 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.128 1.371 . . . . 0.0 114.338 -170.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.52 -27.2 65.96 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.266 1.426 . . . . 0.0 113.473 172.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -84.58 -40.75 17.16 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.386 0.674 . . . . 0.0 111.467 176.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.81 -41.18 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 121.5 -0.75 . . . . 0.0 112.113 178.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -61.39 -40.28 93.78 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 119.836 1.198 . . . . 0.0 113.041 174.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.45 -52.36 31.27 Favored Glycine 0 N--CA 1.472 1.077 0 C-N-CA 124.237 0.922 . . . . 0.0 112.284 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -40.81 74.4 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.952 0.901 . . . . 0.0 112.046 173.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.61 -49.47 69.66 Favored Glycine 0 C--N 1.339 0.71 0 C-N-CA 124.093 0.854 . . . . 0.0 113.337 172.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -55.38 -41.66 72.95 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.543 1.172 . . . . 0.0 112.333 171.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . 0.407 ' HB3' HMA3 ' C' ' 201' ' ' HEC . 11.2 mmpt? -61.62 -50.75 71.3 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 119.339 0.972 . . . . 0.0 112.115 175.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 95.7 t -57.66 -42.47 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 119.296 0.953 . . . . 0.0 110.889 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . 0.401 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -62.87 -47.04 85.07 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 176.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -61.12 -38.47 86.46 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.495 1.043 . . . . 0.0 111.957 175.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.01 99.9 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.798 -0.564 . . . . 0.0 112.35 172.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.44 -45.15 92.39 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.718 -0.658 . . . . 0.0 111.306 170.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 92.0 m -56.2 -45.5 79.81 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.688 1.131 . . . . 0.0 111.742 172.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -27.92 67.55 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 120.308 1.413 . . . . 0.0 112.896 176.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.86 -45.81 70.1 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.251 0.932 . . . . 0.0 111.475 169.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.65 -46.83 92.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 CA-C-N 119.775 1.17 . . . . 0.0 111.504 174.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.95 -26.09 67.99 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.82 1.248 . . . . 0.0 113.908 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -130.68 32.64 4.35 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.81 1.244 . . . . 0.0 111.031 -175.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 10.5 p -60.58 -21.08 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 -164.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.33 6.45 26.48 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 119.729 1.15 . . . . 0.0 113.386 170.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -141.2 29.18 1.83 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 128.021 2.528 . . . . 0.0 110.906 -164.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 18.4 ptt? -112.64 40.14 0.21 Allowed Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 125.181 1.392 . . . . 0.0 114.559 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -64.83 -28.97 58.98 Favored 'Trans proline' 0 C--N 1.355 0.888 0 CA-C-N 122.908 2.074 . . . . 0.0 113.287 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -130.2 -0.43 4.6 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.659 1.184 . . . . 0.0 114.06 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.77 -16.15 63.71 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 120.194 -1.566 . . . . 0.0 114.431 -174.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 32.2 mt -104.15 13.69 31.89 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.933 1.293 . . . . 0.0 111.919 169.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 24.1 t -57.92 -42.07 84.04 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.837 1.199 . . . . 0.0 112.328 -172.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.17 -27.14 43.6 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 172.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 mt -87.73 -38.51 15.73 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.33 1.052 . . . . 0.0 110.689 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 22.4 p -64.63 -33.69 76.53 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 168.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -62.08 -48.21 81.24 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.845 1.258 . . . . 0.0 110.664 170.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 14.7 tp -53.14 -44.39 67.7 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 121.371 -0.83 . . . . 0.0 112.147 169.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -76.98 18.19 0.38 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 125.842 1.657 . . . . 0.0 114.165 175.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.7 -46.3 0.16 Allowed 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -58.94 -35.28 72.87 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.611 1.164 . . . . 0.0 111.589 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -144.78 -172.31 3.8 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 128.621 2.768 . . . . 0.0 109.084 176.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 82.3 mt 27.59 73.08 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.994 2.118 . . . . 0.0 114.223 167.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -38.46 -54.81 1.46 Allowed 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.199 1.4 . . . . 0.0 112.585 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 98.5 t 48.14 71.79 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 122.784 1.278 . . . . 0.0 111.143 176.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -58.82 147.22 73.07 Favored Pre-proline 0 CA--C 1.546 0.803 0 O-C-N 120.74 -1.225 . . . . 0.0 112.237 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.79 -24.3 30.19 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 123.575 2.85 . . . . 0.0 115.125 -168.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 18.5 t -40.0 -52.03 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.941 1.296 . . . . 0.0 111.961 165.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . 0.645 ' HB3' HMC1 ' C' ' 201' ' ' HEC . 3.1 m-80 -57.2 -40.18 76.9 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -40.09 78.49 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 119.212 -0.423 . . . . 0.0 111.056 178.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -61.15 -42.08 97.91 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.483 0.583 . . . . 0.0 109.995 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.27 -55.49 34.22 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.164 0.985 . . . . 0.0 109.347 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . 0.643 HD23 HMC3 ' C' ' 201' ' ' HEC . 0.1 OUTLIER -59.75 -34.0 72.4 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.772 0.429 . . . . 0.0 112.085 176.219 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 73.9 m -68.9 -39.02 79.95 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.587 1.085 . . . . 0.0 113.358 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -59.56 -44.46 93.26 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.204 -0.935 . . . . 0.0 110.346 167.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 68.4 m -62.56 -33.49 75.04 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 174.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 41.8 mt -68.65 -48.4 64.12 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.655 1.116 . . . . 0.0 111.735 171.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 41.7 mt -53.77 -41.25 66.97 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.465 -0.772 . . . . 0.0 110.191 174.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 24.6 t -58.8 -48.58 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.971 0.909 . . . . 0.0 112.917 172.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 2.3 p -67.48 -34.85 78.01 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 120.144 1.338 . . . . 0.0 112.647 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.6 -48.3 82.37 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.555 0.616 . . . . 0.0 110.188 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.79 -33.09 68.18 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.64 -6.48 11.36 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -139.19 -44.84 0.46 Allowed 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -174.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 6.8 mp -78.14 141.99 63.27 Favored Pre-proline 0 CA--C 1.559 1.309 0 CA-C-O 116.697 -1.62 . . . . 0.0 107.874 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -54.22 -122.25 0.0 OUTLIER 'Trans proline' 0 CA--C 1.555 1.53 1 C-N-CA 126.59 4.86 . . . . 0.0 117.342 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.63 54.19 0.06 Allowed 'General case' 0 CA--C 1.544 0.748 0 O-C-N 118.944 -2.348 . . . . 0.0 110.433 160.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.67 -19.26 10.09 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.948 1.299 . . . . 0.0 112.739 -177.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.97 37.3 1.32 Allowed 'General case' 0 N--CA 1.432 -1.362 0 C-N-CA 126.537 1.935 . . . . 0.0 113.29 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 1.1 p -53.21 159.89 1.9 Allowed Pre-proline 0 N--CA 1.477 0.906 0 O-C-N 121.08 -1.013 . . . . 0.0 110.21 169.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -47.3 -44.82 23.66 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.21 1.94 . . . . 0.0 115.13 169.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.34 -54.13 37.81 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.407 0.549 . . . . 0.0 110.889 174.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 14.0 t -77.0 -33.98 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 O-C-N 121.494 -0.754 . . . . 0.0 112.939 -168.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -73.53 -48.88 29.67 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.999 1.319 . . . . 0.0 112.336 175.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.04 -48.7 77.89 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 118.744 0.702 . . . . 0.0 109.798 173.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 15.6 t -52.69 -61.96 1.95 Allowed 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.013 0.925 . . . . 0.0 112.738 173.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 58.6 mt -60.69 -42.95 98.19 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 119.976 1.262 . . . . 0.0 112.039 -175.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.84 -43.17 93.92 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.832 1.196 . . . . 0.0 112.267 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.31 -30.11 61.92 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.237 -0.914 . . . . 0.0 113.122 177.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -61.6 -58.75 6.86 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 124.643 1.177 . . . . 0.0 110.067 169.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.26 -43.07 70.63 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.482 0.713 . . . . 0.0 110.619 175.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.25 -42.5 73.58 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 120.084 1.311 . . . . 0.0 112.738 173.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 11.2 m -71.03 -31.63 68.16 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 171.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 87.1 t -55.49 -50.03 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 CA-C-N 120.087 1.312 . . . . 0.0 108.835 167.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 33.5 t -58.77 -48.72 80.24 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 123.975 0.91 . . . . 0.0 113.39 174.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 96.1 m -51.42 -46.0 62.79 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.018 0.827 . . . . 0.0 110.7 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 81.1 t -68.11 -41.64 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 O-C-N 121.425 -0.797 . . . . 0.0 112.255 174.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -5.87 3.23 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.448 -1.408 . . . . 0.0 113.049 171.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 61.8 m -116.68 -21.0 9.3 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.093 2.157 . . . . 0.0 111.939 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 52.0 m -148.2 131.68 16.7 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.183 1.393 . . . . 0.0 111.963 -172.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.43 -131.0 0.31 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 126.001 1.72 . . . . 0.0 110.742 -175.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -52.08 -27.89 15.53 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 174.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? . . . . . 0 C--O 1.252 1.207 0 C-N-CA 127.395 2.278 . . . . 0.0 109.442 166.535 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.296 2.5 p . . . . . 0 N--CA 1.517 2.884 0 CA-C-O 117.535 -1.221 . . . . 0.0 113.234 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 9.2 75.13 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 129.212 3.005 . . . . 0.0 116.257 -172.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.06 154.4 34.51 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.769 -0.582 . . . . 0.0 111.877 -170.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.6 145.76 97.14 Favored Pre-proline 0 N--CA 1.482 1.136 0 CA-C-O 118.086 -0.959 . . . . 0.0 109.653 168.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -52.04 -39.65 69.52 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 123.435 2.757 . . . . 0.0 116.005 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.7 -41.4 79.2 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.006 0.821 . . . . 0.0 111.862 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -67.41 -42.85 82.59 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.122 0.569 . . . . 0.0 111.1 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -54.33 -53.38 54.66 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.293 1.037 . . . . 0.0 110.823 168.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 30.1 t -54.14 -45.82 72.07 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.369 0.531 . . . . 0.0 111.276 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.1 -53.47 58.02 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 175.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.62 -49.0 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 CA-C-N 119.906 1.23 . . . . 0.0 111.862 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -71.47 -34.76 70.48 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.792 1.178 . . . . 0.0 112.341 -173.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.48 -38.98 85.21 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 120.014 1.279 . . . . 0.0 112.202 172.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.37 -26.79 61.15 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.573 -0.704 . . . . 0.0 111.276 176.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 9.6 t90 -63.42 -43.6 97.03 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.088 -1.008 . . . . 0.0 111.958 162.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.23 -31.92 42.73 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.699 1.618 . . . . 0.0 115.343 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -96.4 -9.52 29.72 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.482 1.113 . . . . 0.0 113.981 174.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.01 142.3 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.178 0.991 . . . . 0.0 112.012 -171.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -91.02 76.33 6.21 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.344 1.058 . . . . 0.0 109.8 -175.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 85.8 t -47.82 -40.02 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -163.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.6 -49.09 61.97 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.686 1.13 . . . . 0.0 112.639 173.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -74.99 -51.33 13.91 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.507 0.723 . . . . 0.0 111.098 -173.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -31.17 52.58 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 C-N-CA 124.629 1.172 . . . . 0.0 111.62 176.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.08 -42.92 34.98 Favored Glycine 0 C--N 1.341 0.835 0 CA-C-N 118.849 0.75 . . . . 0.0 111.632 176.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.43 -44.49 96.68 Favored Glycine 0 N--CA 1.464 0.551 0 CA-C-N 117.892 0.846 . . . . 0.0 112.738 172.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.5 -48.96 79.5 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 117.656 0.728 . . . . 0.0 111.231 170.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.71 -55.81 30.35 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.834 1.652 . . . . 0.0 112.549 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 57.1 tp -67.22 -39.86 86.31 Favored 'General case' 0 C--O 1.224 -0.258 0 O-C-N 121.349 -0.844 . . . . 0.0 111.685 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.75 -50.32 68.97 Favored Glycine 0 C--N 1.334 0.44 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 173.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -52.42 -36.66 54.84 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.057 1.343 . . . . 0.0 113.814 175.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 18.1 tp -52.0 -42.05 62.68 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.067 1.303 . . . . 0.0 109.854 174.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -88.51 -28.94 20.47 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.762 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 4.7 m -56.74 -25.71 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-N 121.288 1.858 . . . . 0.0 113.814 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -2.35 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 119.274 0.943 . . . . 0.0 113.239 175.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 t80 54.63 35.68 0.3 Allowed Pre-proline 0 CA--C 1.562 1.421 0 C-N-CA 126.294 1.837 . . . . 0.0 115.051 -170.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -78.69 172.89 14.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 122.895 2.396 . . . . 0.0 111.99 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 8.4 p90 -56.47 -30.14 62.57 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 172.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.91 -23.78 61.57 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 120.916 -1.115 . . . . 0.0 113.418 171.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -58.18 -26.64 63.02 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.452 1.023 . . . . 0.0 112.781 171.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -64.43 -13.71 52.85 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.817 -1.177 . . . . 0.0 114.152 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.59 15.2 18.64 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 119.345 0.975 . . . . 0.0 113.404 172.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -53.47 -28.05 28.43 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -47.83 -37.46 13.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.721 1.208 . . . . 0.0 113.786 177.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 19.4 m -65.37 -21.82 66.73 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -109.82 -8.88 14.84 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.866 1.666 . . . . 0.0 112.14 175.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.17 -160.84 7.1 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.468 1.032 . . . . 0.0 113.721 -171.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 39.08 -122.71 0.32 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.393 1.877 . . . . 0.0 112.809 -176.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 8.8 tt 58.76 -10.57 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.917 2.087 . . . . 0.0 116.585 -177.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 11.7 m -51.23 -19.52 1.25 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 61.6 p -134.2 158.94 74.15 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 125.6 1.56 . . . . 0.0 111.237 166.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -56.01 -42.52 65.86 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 123.677 2.918 . . . . 0.0 114.729 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.06 -36.79 85.17 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.074 0.549 . . . . 0.0 111.652 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.54 93.42 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -176.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.84 -32.11 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 120.861 1.664 . . . . 0.0 113.387 -175.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 16.3 ptp -92.33 -18.09 23.82 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.24 -31.46 16.78 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 123.919 0.771 . . . . 0.0 114.546 171.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -59.34 125.37 78.86 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 125.235 1.414 . . . . 0.0 113.243 -173.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -64.58 -30.31 60.96 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.755 2.303 . . . . 0.0 113.884 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -68.94 -36.55 78.09 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.449 1.022 . . . . 0.0 112.808 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 76.4 t -65.03 -40.17 88.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.736 1.215 . . . . 0.0 111.143 166.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -62.26 -45.81 91.63 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 120.198 1.363 . . . . 0.0 112.052 173.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.01 -50.17 71.76 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.888 1.275 . . . . 0.0 113.42 176.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -62.05 -36.92 83.07 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.908 -1.12 . . . . 0.0 112.031 172.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.65 -48.77 64.11 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.814 1.197 . . . . 0.0 112.396 169.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -54.87 -43.35 73.06 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.752 1.621 . . . . 0.0 111.756 172.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -66.47 -55.5 15.35 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.38 1.072 . . . . 0.0 113.457 174.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 4.3 m -60.18 -39.97 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 120.855 1.661 . . . . 0.0 112.03 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.7 tt -69.68 -40.0 76.65 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.453 -0.779 . . . . 0.0 111.109 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.88 -36.24 86.51 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.932 1.253 . . . . 0.0 113.821 173.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.81 -49.78 67.02 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.427 1.113 . . . . 0.0 111.828 168.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -54.71 -40.65 69.41 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 174.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 85.3 p -71.07 -34.68 71.42 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.761 -1.212 . . . . 0.0 113.423 173.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.89 -28.47 64.24 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.331 0.968 . . . . 0.0 112.151 166.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.85 -64.06 4.7 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 124.13 0.872 . . . . 0.0 111.844 164.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.34 -34.46 33.87 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 118.667 1.234 . . . . 0.0 113.581 177.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.04 -18.44 58.11 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.22 39.41 1.0 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.289 1.435 . . . . 0.0 112.986 -170.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 70.7 mt -57.24 -21.58 35.1 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.677 -1.264 . . . . 0.0 114.138 -178.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -65.6 -11.43 44.28 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.241 2.216 . . . . 0.0 115.667 174.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -113.99 -60.29 1.9 Allowed 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.793 1.179 . . . . 0.0 113.837 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 53.25 9.27 0.14 Allowed 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -133.37 -61.34 0.82 Allowed 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 120.221 1.373 . . . . 0.0 111.883 171.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.25 -40.09 83.62 Favored Glycine 0 N--CA 1.479 1.561 0 CA-C-N 119.019 0.827 . . . . 0.0 114.526 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.4 t -66.26 -15.17 62.98 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 175.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -122.85 -0.96 8.96 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.686 1.594 . . . . 0.0 114.687 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.02 -33.17 71.64 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 120.75 1.614 . . . . 0.0 114.468 -171.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 19.1 p -64.65 -41.21 96.28 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.194 -0.941 . . . . 0.0 111.88 170.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.4 -39.32 65.16 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-O 118.216 -0.897 . . . . 0.0 112.096 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -64.64 -38.38 90.8 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 120.304 1.411 . . . . 0.0 111.596 175.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -65.24 -45.03 86.29 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.777 -0.577 . . . . 0.0 112.062 172.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 51.7 tp -55.4 -56.32 21.5 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.237 -0.914 . . . . 0.0 111.009 171.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -77.26 30.13 0.14 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.108 1.763 . . . . 0.0 113.505 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 93' ' ' CYS . . . . . 0.543 ' SG ' HG21 ' A' ' 41' ' ' THR . 3.8 t -149.82 -80.78 0.12 Allowed 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 123.897 0.879 . . . . 0.0 108.877 169.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.71 -17.32 47.51 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.825 2.05 . . . . 0.0 115.73 -174.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -112.85 -35.67 5.39 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.206 1.403 . . . . 0.0 112.171 171.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 13.2 mt -133.5 85.08 2.18 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.049 2.14 . . . . 0.0 108.101 -174.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.73 -33.19 60.79 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -173.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 59.8 t 19.54 96.17 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 128.999 2.919 . . . . 0.0 115.078 160.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -54.97 132.65 67.62 Favored Pre-proline 0 CA--C 1.551 0.985 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -176.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.1 -19.81 12.66 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 124.475 3.45 . . . . 0.0 118.093 -178.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -52.7 -33.53 48.02 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.821 1.191 . . . . 0.0 112.046 166.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.78 -38.66 88.87 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.01 -1.056 . . . . 0.0 112.086 173.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -68.49 -42.68 78.27 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.793 0.837 . . . . 0.0 110.551 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -57.7 -49.67 75.75 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.779 172.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 84.5 mt -57.85 -51.02 71.34 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 118.36 -0.829 . . . . 0.0 112.142 175.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . 0.41 HD13 HBB3 ' D' ' 201' ' ' HEC . 3.6 tt -55.61 -36.04 66.52 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.193 1.36 . . . . 0.0 110.84 173.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 107' ' ' GLY . . . . . 0.474 ' CA ' HG11 ' D' ' 134' ' ' VAL . . . -67.2 -54.15 22.17 Favored Glycine 0 CA--C 1.519 0.294 0 O-C-N 120.998 -1.064 . . . . 0.0 114.984 176.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -55.59 -35.16 65.51 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.478 1.139 . . . . 0.0 110.279 171.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 30.5 t -65.51 -41.36 90.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-O 117.818 -1.087 . . . . 0.0 113.077 173.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.77 -53.34 59.52 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 121.303 1.865 . . . . 0.0 111.137 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 111' ' ' VAL . . . . . 0.463 HG12 ' HB3' ' D' ' 130' ' ' TYR . 1.3 m -55.5 -37.71 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-O 121.1 0.476 . . . . 0.0 112.252 -171.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 49.6 t -77.01 -27.59 54.71 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -172.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 p -68.82 -39.1 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 120.018 -1.677 . . . . 0.0 110.723 170.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.2 -36.79 80.85 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.58 0.627 . . . . 0.0 110.761 171.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 115' ' ' ALA . . . . . 0.413 ' HB2' ' CE2' ' D' ' 122' ' ' PHE . . . -59.99 -26.78 66.32 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 170.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -75.28 -61.69 1.81 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 120.594 1.543 . . . . 0.0 111.845 167.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -63.6 -24.1 67.66 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -169.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -132.29 23.99 4.47 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.403 1.481 . . . . 0.0 112.107 -174.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -46.16 -40.97 10.8 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 125.843 1.687 . . . . 0.0 116.037 -173.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -63.54 -21.93 66.61 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -105.62 -2.46 23.42 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.342 1.857 . . . . 0.0 112.72 174.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 122' ' ' PHE . . . . . 0.413 ' CE2' ' HB2' ' D' ' 115' ' ' ALA . 6.4 t80 -86.55 58.26 4.96 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 120.855 -1.153 . . . . 0.0 113.055 -169.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 32.6 p -53.25 158.05 2.87 Favored Pre-proline 0 N--CA 1.48 1.05 0 C-N-CA 126.127 1.771 . . . . 0.0 113.74 -174.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -47.72 -49.92 12.59 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.465 2.11 . . . . 0.0 115.22 170.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.11 -27.46 41.9 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.331 1.354 . . . . 0.0 114.33 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.43 -40.36 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 122.099 2.227 . . . . 0.0 111.777 176.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -60.3 -42.1 94.8 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.562 -0.711 . . . . 0.0 111.139 176.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.7 -31.98 72.98 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 173.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -66.27 -51.58 56.0 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.432 -0.793 . . . . 0.0 110.239 174.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 130' ' ' TYR . . . . . 0.463 ' HB3' HG12 ' D' ' 111' ' ' VAL . 47.6 m-85 -52.3 -48.59 65.27 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.446 0.566 . . . . 0.0 111.262 169.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 15.1 tm0? -54.67 -46.26 74.01 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 118.206 -0.902 . . . . 0.0 112.654 174.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -63.57 -41.72 98.36 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 120.733 1.606 . . . . 0.0 113.152 -176.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 1.6 p -73.76 -38.75 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 119.252 0.933 . . . . 0.0 112.239 174.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 134' ' ' VAL . . . . . 0.474 HG11 ' CA ' ' D' ' 107' ' ' GLY . 87.4 t -72.12 -34.83 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 118.781 0.719 . . . . 0.0 112.568 -178.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.48 -40.07 93.21 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.972 -1.08 . . . . 0.0 111.516 167.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -53.12 -52.9 37.1 Favored Glycine 0 N--CA 1.47 0.944 0 CA-C-O 119.628 -0.54 . . . . 0.0 112.385 166.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.05 -42.85 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 118.294 1.047 . . . . 0.0 112.402 175.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.98 -47.7 83.64 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.75 0.705 . . . . 0.0 111.722 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -31.95 73.35 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.722 -0.611 . . . . 0.0 112.17 175.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.07 -48.82 64.51 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.875 0.87 . . . . 0.0 111.387 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.08 -34.44 74.93 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.511 -0.743 . . . . 0.0 111.597 173.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.39 -4.15 24.69 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 172.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -57.72 -43.13 85.06 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 121.337 1.881 . . . . 0.0 113.204 -176.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -73.99 2.12 9.4 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.786 1.234 . . . . 0.0 113.617 174.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.4 -28.58 6.81 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 127.94 2.496 . . . . 0.0 111.819 -176.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 34.3 m-70 . . . . . 0 C--O 1.255 1.391 0 C-N-CA 128.768 2.827 . . . . 0.0 115.717 -174.814 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.65 HMC3 HD23 ' A' ' 101' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 201' ' ' HEC . . . . . 0.418 HBB3 HD13 ' B' ' 106' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 201' ' ' HEC . . . . . 0.645 HMC1 ' HB3' ' C' ' 97' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 201' ' ' HEC . . . . . 0.41 HBB3 HD13 ' D' ' 106' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 24.7 m . . . . . 0 N--CA 1.509 2.511 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 36.8 mt -144.88 -171.51 3.65 Favored 'General case' 0 CA--C 1.556 1.193 0 O-C-N 120.243 -1.536 . . . . 0.0 111.873 -172.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.51 154.71 77.48 Favored Pre-proline 0 N--CA 1.489 1.507 0 C-N-CA 125.687 1.595 . . . . 0.0 111.745 -168.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -76.48 -51.54 0.1 OUTLIER 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.263 1.975 . . . . 0.0 114.609 -167.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.75 -37.55 84.86 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.358 -0.838 . . . . 0.0 112.232 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.43 -40.8 92.38 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.536 0.734 . . . . 0.0 111.848 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -56.24 -46.12 79.72 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 118.052 -0.975 . . . . 0.0 111.798 170.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.5 m -56.36 -42.53 77.94 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.046 1.294 . . . . 0.0 112.13 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -66.55 -35.91 81.38 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.923 -1.11 . . . . 0.0 112.62 174.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.5 t -61.63 -43.37 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-N 119.192 0.906 . . . . 0.0 111.156 169.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -60.23 -45.98 91.35 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.317 0.962 . . . . 0.0 111.063 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.87 -50.29 74.58 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.164 0.585 . . . . 0.0 111.151 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.05 -57.86 10.98 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.499 0.719 . . . . 0.0 112.299 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -66.38 -24.08 66.43 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.414 -0.804 . . . . 0.0 113.036 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.85 -50.53 64.87 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.673 1.13 . . . . 0.0 113.391 170.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -26.24 63.31 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 118.642 1.221 . . . . 0.0 112.508 175.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.06 -20.16 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.538 1.135 . . . . 0.0 113.234 172.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.43 141.2 4.65 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 124.813 1.197 . . . . 0.0 114.535 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 61.0 -35.21 0.09 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 128.346 2.658 . . . . 0.0 116.464 -169.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -77.57 -14.1 59.74 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.737 1.215 . . . . 0.0 113.551 173.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.28 -48.09 62.33 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.193 1.397 . . . . 0.0 114.438 -166.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.1 -35.37 92.0 Favored Glycine 0 N--CA 1.47 0.963 0 O-C-N 121.71 -0.619 . . . . 0.0 113.479 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -64.54 -44.85 89.5 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.903 0.881 . . . . 0.0 110.498 173.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -66.33 -35.4 80.26 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.34 -49.16 76.88 Favored Glycine 0 CA--C 1.533 1.207 0 CA-C-N 118.935 0.789 . . . . 0.0 112.264 170.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.86 91.2 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 117.765 0.783 . . . . 0.0 112.001 175.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.85 -40.57 95.37 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 121.252 -0.905 . . . . 0.0 113.122 173.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.08 89.36 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 120.677 1.58 . . . . 0.0 112.202 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.29 -50.6 67.25 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.223 1.009 . . . . 0.0 111.471 171.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.44 -43.47 96.79 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.459 -0.776 . . . . 0.0 111.784 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -60.47 -40.52 91.52 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.501 1.52 . . . . 0.0 111.652 173.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -61.45 -51.43 68.76 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.464 1.029 . . . . 0.0 111.884 171.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -63.16 -41.28 99.22 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.5 -32.69 62.61 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.83 0.741 . . . . 0.0 112.758 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.6 m -78.0 -18.6 55.73 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -146.81 69.17 12.04 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 123.645 0.778 . . . . 0.0 110.56 -170.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -62.08 -13.72 33.33 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.484 2.789 . . . . 0.0 115.464 -165.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.3 p -53.93 -25.71 21.79 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.474 1.51 . . . . 0.0 114.376 163.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.8 p -74.2 -35.49 63.95 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.144 1.338 . . . . 0.0 113.083 175.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -55.98 -34.7 65.98 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -178.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -55.62 -26.93 46.76 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.494 ' CZ ' HG22 ' A' ' 93' ' ' VAL . 0.6 OUTLIER -63.29 -22.05 66.63 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.782 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 30.54 59.06 0.96 Allowed Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 126.975 2.11 . . . . 0.0 113.38 -177.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -46.7 -57.05 2.49 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 124.121 3.214 . . . . 0.0 114.913 -161.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -161.15 17.67 0.11 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.631 1.572 . . . . 0.0 112.652 161.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.48 -176.8 4.52 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.129 1.372 . . . . 0.0 113.357 -162.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -130.84 143.99 51.13 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.423 1.489 . . . . 0.0 109.157 175.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.72 27.88 4.61 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.665 1.586 . . . . 0.0 112.906 -164.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 97.9 p -57.41 167.78 0.92 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.068 1.347 . . . . 0.0 113.689 170.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -57.85 114.5 2.34 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.066 -1.021 . . . . 0.0 111.028 174.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.88 5.48 62.68 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-O 118.754 -1.025 . . . . 0.0 115.488 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.6 116.25 3.57 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.518 1.659 . . . . 0.0 113.726 -173.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.5 -33.64 63.91 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.252 1.021 . . . . 0.0 113.163 177.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -62.56 -38.51 90.36 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.754 0.822 . . . . 0.0 112.04 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.5 t -69.12 -36.02 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 O-C-N 121.434 -0.791 . . . . 0.0 111.386 173.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -63.96 -45.68 88.07 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.537 1.062 . . . . 0.0 111.55 175.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.14 -51.78 56.77 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 124.164 0.888 . . . . 0.0 112.287 174.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -55.89 -43.98 77.73 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.934 0.893 . . . . 0.0 111.92 173.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.12 -48.95 79.82 Favored Glycine 0 CA--C 1.528 0.861 0 O-C-N 121.039 -1.038 . . . . 0.0 113.68 174.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -55.78 -43.48 76.82 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.025 0.93 . . . . 0.0 112.405 171.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HB3' HMA3 ' A' ' 201' ' ' HEC . 0.1 OUTLIER -64.12 -50.29 68.85 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 118.35 -0.834 . . . . 0.0 112.869 175.618 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 69.0 t -56.09 -43.51 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 CA-C-N 120.302 1.41 . . . . 0.0 111.5 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.64 74.31 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -59.87 -36.02 76.04 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.45 -0.781 . . . . 0.0 112.299 176.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.527 ' HB2' HMA1 ' A' ' 201' ' ' HEC . . . -63.32 -38.79 92.52 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.405 -0.81 . . . . 0.0 112.742 171.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mt -65.74 -41.21 92.47 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.695 -0.669 . . . . 0.0 111.914 170.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 45.5 m -58.94 -45.8 89.53 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.983 1.265 . . . . 0.0 111.708 171.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -61.54 -39.95 92.9 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.583 1.953 . . . . 0.0 112.446 175.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.08 -58.12 10.05 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.778 0.717 . . . . 0.0 110.371 167.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.8 t -52.53 -41.02 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 125.082 1.353 . . . . 0.0 112.908 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.55 -23.06 65.38 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.32 1.448 . . . . 0.0 114.63 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -135.77 24.14 3.37 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.296 1.438 . . . . 0.0 112.249 -171.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.86 -23.1 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -154.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.92 -5.99 40.17 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 120.094 1.315 . . . . 0.0 114.415 172.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -119.81 3.25 11.09 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.654 2.382 . . . . 0.0 112.453 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -61.81 -17.73 0.42 Allowed Pre-proline 0 CA--C 1.546 0.795 0 N-CA-C 117.862 2.542 . . . . 0.0 117.862 -178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.517 ' HA ' HG13 ' A' ' 135' ' ' VAL . 85.7 Cg_exo -45.92 -42.87 20.21 Favored 'Trans proline' 0 C--N 1.361 1.223 0 CA-C-N 123.936 2.441 . . . . 0.0 114.222 168.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -75.82 -50.62 14.64 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.328 0.651 . . . . 0.0 110.803 173.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.52 -16.13 63.77 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -170.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.0 mt -101.6 5.64 41.73 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.164 1.386 . . . . 0.0 112.984 173.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.7 t -57.61 -37.9 74.04 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 120.848 -1.157 . . . . 0.0 113.614 -177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.9 -25.8 61.32 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.717 1.144 . . . . 0.0 113.434 174.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 mt -89.14 -34.06 16.84 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.687 1.195 . . . . 0.0 110.677 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.2 t -57.98 -46.07 85.75 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 117.941 -1.028 . . . . 0.0 111.127 162.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -54.97 -51.22 66.86 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.439 1.472 . . . . 0.0 112.588 172.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.26 -53.46 28.25 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.511 0.725 . . . . 0.0 111.148 171.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -18.65 61.22 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -178.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.03 -11.9 12.67 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 121.176 1.807 . . . . 0.0 114.309 -170.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.26 -5.01 2.67 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.373 1.469 . . . . 0.0 113.981 178.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -130.1 -42.34 1.23 Allowed 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 115.316 1.598 . . . . 0.0 115.316 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.48 -54.8 2.59 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 23.0 mtm105 46.34 48.96 13.32 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 126.294 1.837 . . . . 0.0 114.547 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.494 HG22 ' CZ ' ' A' ' 42' ' ' TYR . 87.2 t -86.11 139.18 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.749 0.82 . . . . 0.0 111.187 177.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -41.66 128.24 2.41 Favored Pre-proline 0 CA--C 1.555 1.138 0 C-N-CA 127.658 2.383 . . . . 0.0 113.906 168.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -50.51 -15.66 1.69 Allowed 'Trans proline' 0 C--N 1.357 0.98 1 C-N-CA 125.306 4.004 . . . . 0.0 117.698 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.8 p -48.42 -36.07 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 120.827 -1.171 . . . . 0.0 112.327 169.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.455 ' HB3' HMC1 ' A' ' 201' ' ' HEC . 11.2 m-80 -65.94 -38.48 88.73 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 118.552 -0.737 . . . . 0.0 112.628 176.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -50.65 72.15 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.243 0.928 . . . . 0.0 110.156 172.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -54.58 -48.68 71.81 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.9 0.88 . . . . 0.0 110.479 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.94 -56.98 14.68 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.624 0.769 . . . . 0.0 112.352 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.404 HD21 HBB3 ' A' ' 201' ' ' HEC . 0.2 OUTLIER -58.94 -41.42 87.34 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.912 0.778 . . . . 0.0 111.906 -179.541 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.7 m -68.62 -43.42 76.4 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.248 0.931 . . . . 0.0 112.904 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -46.4 90.35 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.731 -0.606 . . . . 0.0 110.78 172.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 94.1 m -62.68 -39.42 93.9 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 117.958 -1.02 . . . . 0.0 111.821 176.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.8 mt -56.53 -55.94 27.5 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 120.468 1.485 . . . . 0.0 111.405 172.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.2 mt -48.26 -49.4 33.59 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.191 0.905 . . . . 0.0 111.224 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.22 -46.01 97.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 123.697 0.799 . . . . 0.0 112.548 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 87.2 m -64.62 -43.42 93.79 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.429 -0.795 . . . . 0.0 112.401 177.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.6 mt -58.62 -46.81 86.25 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.107 0.867 . . . . 0.0 109.514 176.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.97 -16.71 64.52 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.85 -12.58 50.08 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 119.408 1.004 . . . . 0.0 113.024 169.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -132.15 -14.01 3.07 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.992 1.317 . . . . 0.0 114.528 -175.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.2 mp -104.83 154.96 38.23 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 125.437 1.495 . . . . 0.0 110.807 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -52.87 -37.01 76.67 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 124.121 3.214 . . . . 0.0 115.819 -170.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.47 -33.79 0.1 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.088 0.955 . . . . 0.0 113.202 174.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 63.46 -4.28 0.33 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 116.018 1.858 . . . . 0.0 116.018 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.42 29.31 2.7 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.106 1.362 . . . . 0.0 111.37 -178.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.6 p -54.36 166.27 0.73 Allowed Pre-proline 0 N--CA 1.477 0.921 0 O-C-N 121.266 -0.896 . . . . 0.0 110.452 173.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -49.11 -38.11 39.72 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.105 1.87 . . . . 0.0 115.434 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.15 -53.03 7.07 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.796 0.331 . . . . 0.0 111.198 172.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.9 -34.06 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.075 -1.016 . . . . 0.0 112.172 -168.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -65.17 -51.14 62.94 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.639 1.563 . . . . 0.0 111.847 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.41 86.64 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.433 0.293 . . . . 0.0 110.959 173.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.0 m -58.14 -56.54 20.74 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.1 0.56 . . . . 0.0 111.949 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -75.26 -42.55 54.84 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.993 0.917 . . . . 0.0 112.01 -174.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -60.63 -51.07 70.95 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.814 1.188 . . . . 0.0 111.644 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.291 0.0 OUTLIER -71.08 -28.29 64.23 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 178.768 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -64.59 -50.8 65.78 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.791 1.178 . . . . 0.0 111.424 170.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.38 -36.84 81.38 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.96 0.8 . . . . 0.0 111.399 175.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.92 -54.5 46.27 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 118.514 -0.755 . . . . 0.0 111.172 170.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 69.3 m -60.9 -40.01 91.51 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.193 1.361 . . . . 0.0 114.163 177.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 55.5 t -55.67 -45.38 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-N 119.352 0.978 . . . . 0.0 110.476 171.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 67.9 m -74.2 -37.22 63.96 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 178.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 95.8 m -53.19 -44.97 68.36 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.213 1.37 . . . . 0.0 110.187 167.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.517 HG13 ' HA ' ' A' ' 77' ' ' PRO . 20.6 t -67.33 -46.05 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 124.438 1.095 . . . . 0.0 112.928 174.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -45.46 93.25 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.743 1.156 . . . . 0.0 112.024 176.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 92.5 m -66.77 -31.48 72.15 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.381 1.473 . . . . 0.0 113.146 176.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 14.4 t -56.52 119.35 5.94 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.95 0.9 . . . . 0.0 111.018 172.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -57.73 -40.41 79.58 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -165.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 42.57 -118.67 0.48 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 125.572 1.549 . . . . 0.0 113.166 -171.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 . . . . . 0 C--O 1.254 1.322 0 C-N-CA 126.103 1.761 . . . . 0.0 113.705 -172.436 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.331 2.5 p . . . . . 0 N--CA 1.514 2.75 0 CA-C-O 117.136 -1.411 . . . . 0.0 113.119 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 20.75 78.96 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 127.834 2.454 . . . . 0.0 116.109 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.26 160.84 17.81 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.014 175.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.5 p -64.97 154.14 87.09 Favored Pre-proline 0 N--CA 1.479 1.0 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.354 164.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.4 -35.68 85.3 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 122.551 2.167 . . . . 0.0 113.993 174.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.12 -43.62 67.25 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.438 0.695 . . . . 0.0 111.831 176.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -67.36 -38.78 85.32 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.33 -0.857 . . . . 0.0 112.216 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -53.39 -49.82 66.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.311 1.444 . . . . 0.0 111.029 168.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.3 t -59.39 -47.27 86.09 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.053 0.388 . . . . 0.0 111.774 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.86 -50.73 67.97 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.065 0.946 . . . . 0.0 113.48 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.34 -57.57 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 118.186 0.448 . . . . 0.0 111.616 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.2 m -70.06 -33.82 72.43 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.124 -0.985 . . . . 0.0 113.174 -168.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.92 -38.37 90.72 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 119.75 1.159 . . . . 0.0 112.416 175.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -31.96 66.37 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.645 -0.66 . . . . 0.0 112.219 174.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -36.71 82.68 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 120.936 -1.103 . . . . 0.0 112.898 166.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.12 -39.42 92.17 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.773 1.178 . . . . 0.0 114.312 174.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -89.91 -13.58 36.03 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.92 146.06 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.219 1.007 . . . . 0.0 113.263 -174.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -95.26 76.69 3.43 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.8 1.24 . . . . 0.0 109.428 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 95.1 t -47.61 -39.19 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -165.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -63.75 -60.42 3.32 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.898 0.879 . . . . 0.0 112.326 174.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -69.47 -49.69 52.51 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.53 0.732 . . . . 0.0 111.324 -174.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.99 -27.94 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.498 1.119 . . . . 0.0 112.235 179.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.95 -42.53 8.8 Favored Glycine 0 N--CA 1.468 0.801 0 CA-C-N 119.308 0.958 . . . . 0.0 112.195 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.02 -41.62 92.54 Favored Glycine 0 CA--C 1.527 0.819 0 CA-C-N 118.1 0.95 . . . . 0.0 111.765 167.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -62.56 -55.57 26.04 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 118.107 0.953 . . . . 0.0 112.52 168.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.97 -42.37 65.47 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 121.228 1.831 . . . . 0.0 113.403 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 tp -77.95 -54.62 6.09 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.762 0.825 . . . . 0.0 112.005 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.62 -45.25 96.21 Favored Glycine 0 N--CA 1.469 0.898 0 O-C-N 120.414 -1.429 . . . . 0.0 112.635 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -70.9 -10.18 59.15 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.763 1.225 . . . . 0.0 112.917 175.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -77.61 -44.36 28.57 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 120.122 1.328 . . . . 0.0 109.819 161.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.8 -25.52 67.95 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.462 -1.399 . . . . 0.0 113.299 175.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 m -75.27 -17.07 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 CA-C-N 120.535 1.516 . . . . 0.0 115.073 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.71 3.07 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-N 121.508 1.958 . . . . 0.0 113.685 -177.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 48.74 42.55 1.28 Allowed Pre-proline 0 CA--C 1.563 1.452 0 C-N-CA 125.817 1.647 . . . . 0.0 115.301 -163.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -75.72 168.17 24.85 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 123.666 2.911 . . . . 0.0 113.971 -173.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -24.57 65.61 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 170.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 25.4 p -60.84 -24.06 65.6 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 120.446 -1.409 . . . . 0.0 113.664 171.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -61.52 -8.95 4.83 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.913 -1.117 . . . . 0.0 113.512 -178.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -53.4 -33.37 53.55 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 118.967 -2.333 . . . . 0.0 113.559 170.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -88.31 9.08 24.45 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -49.77 -28.97 6.93 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 175.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -55.31 -14.06 1.65 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.17 1.788 . . . . 0.0 115.181 171.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 50.4 m -108.07 16.02 23.74 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.913 2.085 . . . . 0.0 113.486 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -117.62 4.77 12.35 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.743 1.217 . . . . 0.0 113.666 -178.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.95 -35.5 2.12 Favored Glycine 0 CA--C 1.533 1.216 0 N-CA-C 117.055 1.582 . . . . 0.0 117.055 162.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -141.39 -91.0 0.15 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.391 1.595 . . . . 0.0 111.785 -176.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 44.0 1.07 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 120.177 3.399 . . . . 0.0 120.177 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -59.91 -21.48 61.15 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 120.279 1.399 . . . . 0.0 114.298 -167.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 64.2 p -124.27 157.42 64.56 Favored Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 125.346 1.458 . . . . 0.0 110.598 164.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -55.76 -40.59 84.34 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.787 2.325 . . . . 0.0 114.715 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.85 -39.59 92.38 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.638 -0.664 . . . . 0.0 112.032 175.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.52 99.3 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.82 -26.0 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 119.719 1.145 . . . . 0.0 113.356 178.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -36.71 45.2 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.213 0.915 . . . . 0.0 112.925 174.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.28 -27.63 19.97 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 115.17 0.828 . . . . 0.0 115.17 -173.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.3 133.46 84.81 Favored Pre-proline 0 CA--C 1.555 1.149 0 CA-C-N 118.312 1.056 . . . . 0.0 113.613 -174.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.18 -32.74 16.26 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.766 2.31 . . . . 0.0 114.004 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -59.56 -45.86 90.58 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 120.481 1.492 . . . . 0.0 110.966 173.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 60.2 t -61.21 -37.09 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 CA-C-N 119.299 0.954 . . . . 0.0 112.773 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -68.77 -49.77 55.94 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 120.095 1.316 . . . . 0.0 112.795 174.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.66 98.45 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.896 0.878 . . . . 0.0 112.421 176.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -68.22 -33.37 74.28 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.14 -0.975 . . . . 0.0 111.669 175.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.12 -48.69 58.27 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 126.092 1.806 . . . . 0.0 113.377 165.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -59.81 -42.56 93.75 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 117.892 0.846 . . . . 0.0 112.048 171.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -62.52 -53.87 48.29 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.288 0.949 . . . . 0.0 113.007 176.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 12.3 p -58.22 -46.68 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-N 119.917 1.235 . . . . 0.0 112.082 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 tt -68.88 -39.33 79.86 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.279 -0.888 . . . . 0.0 111.818 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.79 -39.56 47.5 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.485 1.517 . . . . 0.0 113.697 171.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.43 -50.44 69.77 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.207 1.004 . . . . 0.0 111.903 168.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -58.97 -35.1 72.62 Favored 'General case' 0 CA--C 1.554 1.111 0 O-C-N 120.363 -1.46 . . . . 0.0 114.015 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 98.5 p -74.55 -37.67 62.94 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.227 -1.545 . . . . 0.0 113.434 173.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -56.95 -32.62 66.2 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.464 1.029 . . . . 0.0 111.578 164.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.12 -60.23 9.35 Favored Glycine 0 CA--C 1.523 0.532 0 C-N-CA 123.885 0.755 . . . . 0.0 111.812 170.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.5 mt -58.81 -26.8 64.45 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 178.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.75 -18.78 43.04 Favored 'General case' 0 CA--C 1.554 1.098 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 173.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -140.28 34.48 1.89 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.817 1.247 . . . . 0.0 113.282 -170.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 84.9 mt -55.83 -21.64 20.71 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -57.88 -33.09 68.33 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.174 1.39 . . . . 0.0 114.311 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -162.18 65.45 0.23 Allowed 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.382 0.992 . . . . 0.0 113.112 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 98.4 mt -45.81 -46.44 15.44 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.886 1.274 . . . . 0.0 113.717 -175.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -4.4 3.69 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.92 -10.21 52.76 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.347 1.451 . . . . 0.0 114.464 172.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 3.4 m -119.07 -28.76 5.42 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.048 1.339 . . . . 0.0 111.922 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -90.48 -4.67 56.8 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.305 1.042 . . . . 0.0 113.625 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.99 -37.77 61.68 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 -165.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 19.2 p -63.14 -41.72 99.34 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.129 0.972 . . . . 0.0 112.185 173.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 50.5 mt -66.81 -42.81 85.29 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 124.146 0.978 . . . . 0.0 110.969 171.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 7.0 m -61.84 -37.86 86.05 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 120.363 1.438 . . . . 0.0 112.613 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.78 -51.14 66.16 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.018 0.927 . . . . 0.0 111.959 171.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 21.8 tp -50.38 -52.78 34.32 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.272 -0.892 . . . . 0.0 111.427 171.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -71.24 8.97 0.85 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.26 1.424 . . . . 0.0 114.811 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 43.3 t -131.65 -70.0 0.6 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.315 1.046 . . . . 0.0 110.721 173.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -65.86 -16.5 63.89 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.155 1.382 . . . . 0.0 114.294 -175.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.35 -36.97 5.65 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.439 1.096 . . . . 0.0 112.696 166.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 12.5 mt -133.72 51.56 2.13 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.668 1.187 . . . . 0.0 113.747 -166.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -61.92 25.55 0.01 OUTLIER 'General case' 0 CA--C 1.567 1.598 0 C-N-CA 127.22 2.208 . . . . 0.0 116.808 -177.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 9.2 m -55.48 155.97 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.819 1.648 . . . . 0.0 113.272 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -56.36 136.77 75.87 Favored Pre-proline 0 CA--C 1.558 1.271 0 O-C-N 120.708 -1.245 . . . . 0.0 113.312 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -45.25 -31.69 6.48 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 123.977 3.118 . . . . 0.0 116.585 173.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.98 -31.95 70.39 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.027 -1.671 . . . . 0.0 113.038 175.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -58.14 -37.77 75.28 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.095 -1.003 . . . . 0.0 111.768 175.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -68.94 -45.8 69.82 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.664 1.186 . . . . 0.0 110.929 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -38.47 69.94 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 118.868 -0.587 . . . . 0.0 112.193 172.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.01 -50.2 67.22 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.405 1.002 . . . . 0.0 111.701 177.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.84 -46.49 78.16 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 122.804 0.442 . . . . 0.0 110.368 174.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -59.05 -44.22 96.44 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 124.532 1.063 . . . . 0.0 115.009 175.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -60.9 -46.0 92.38 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.532 1.166 . . . . 0.0 111.102 175.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 92.1 t -62.33 -37.18 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 O-C-N 121.036 -1.04 . . . . 0.0 112.912 172.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 56.8 tp -57.96 -56.28 24.05 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 119.05 0.841 . . . . 0.0 110.469 171.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.49 HG12 ' HB3' ' B' ' 130' ' ' TYR . 17.8 m -64.16 -28.43 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-N 120.011 1.278 . . . . 0.0 113.421 -178.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 4.7 m -53.72 -63.83 1.02 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 117.933 -1.032 . . . . 0.0 111.402 168.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 3.1 p -51.38 -36.89 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 120.145 1.339 . . . . 0.0 113.773 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.18 -48.33 78.83 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 121.458 -0.776 . . . . 0.0 110.816 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.98 12.66 0.5 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.201 1.401 . . . . 0.0 113.908 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -118.36 -53.27 2.35 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.903 1.281 . . . . 0.0 110.107 177.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -69.79 -31.3 69.13 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.529 -0.732 . . . . 0.0 112.508 172.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -119.0 32.73 5.98 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.633 1.573 . . . . 0.0 110.965 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -56.99 -31.64 61.69 Favored Glycine 0 CA--C 1.538 1.525 0 O-C-N 120.491 -1.381 . . . . 0.0 114.661 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -66.89 -16.07 64.07 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.697 1.199 . . . . 0.0 113.91 172.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -109.6 14.72 23.31 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.222 2.209 . . . . 0.0 111.809 -174.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -65.67 83.54 0.07 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.552 1.541 . . . . 0.0 112.556 -177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.78 158.07 84.38 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 124.319 1.048 . . . . 0.0 112.306 -178.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . 0.492 ' CB ' ' HD3' ' B' ' 125' ' ' PRO 0.386 2.9 Cg_exo -27.73 -92.21 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.088 1 C-N-CA 127.105 5.203 . . . . 0.0 118.622 -169.298 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . 0.492 ' HD3' ' CB ' ' B' ' 124' ' ' PRO . 23.1 Cg_exo -82.61 25.69 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 CA-C-N 124.455 2.627 . . . . 0.0 116.975 169.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 6.2 p -51.51 -41.22 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 CA-C-N 122.473 2.397 . . . . 0.0 114.559 -168.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -59.36 -48.17 82.65 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.306 0.957 . . . . 0.0 111.296 173.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.27 -37.28 86.65 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.425 1.09 . . . . 0.0 112.835 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.32 -51.85 64.3 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.778 0.831 . . . . 0.0 110.205 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.49 ' HB3' HG12 ' B' ' 111' ' ' VAL . 34.2 m-85 -57.65 -46.97 83.52 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 118.596 -0.716 . . . . 0.0 112.056 169.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -56.68 -33.07 66.06 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.904 1.229 . . . . 0.0 113.188 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -68.11 -45.64 73.12 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 120.449 1.477 . . . . 0.0 113.742 172.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 4.1 p -67.29 -38.1 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 CA-C-N 120.407 1.458 . . . . 0.0 111.627 173.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 25.4 t -60.54 -44.9 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.608 1.163 . . . . 0.0 111.581 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.82 -42.44 97.66 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.701 0.801 . . . . 0.0 112.079 172.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.32 -46.37 86.81 Favored Glycine 0 N--CA 1.473 1.101 0 O-C-N 121.785 -0.572 . . . . 0.0 112.897 172.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 50.2 t -66.3 -44.23 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.001 0.92 . . . . 0.0 111.792 176.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.08 -47.96 76.99 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.035 0.834 . . . . 0.0 111.744 173.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -65.13 -38.09 89.53 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.964 0.906 . . . . 0.0 113.082 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.12 -43.31 92.36 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.244 1.017 . . . . 0.0 112.527 174.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.24 -38.25 89.77 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.932 -1.105 . . . . 0.0 111.975 171.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.87 -5.35 16.25 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 170.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -55.88 -44.85 78.55 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 119.777 -1.827 . . . . 0.0 112.88 -175.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -66.25 -2.93 4.85 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -77.57 -21.84 51.88 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.184 0.993 . . . . 0.0 111.514 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 73.0 m80 . . . . . 0 C--O 1.255 1.387 0 C-N-CA 126.236 1.814 . . . . 0.0 112.478 175.757 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.509 2.482 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 37.0 mt -144.87 -171.55 3.65 Favored 'General case' 0 N--CA 1.484 1.275 0 O-C-N 120.242 -1.536 . . . . 0.0 111.946 -172.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.45 154.75 77.37 Favored Pre-proline 0 N--CA 1.489 1.479 0 C-N-CA 125.466 1.506 . . . . 0.0 111.778 -168.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -76.46 -51.48 0.1 OUTLIER 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.218 1.945 . . . . 0.0 114.755 -168.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.53 84.99 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.508 -0.745 . . . . 0.0 112.25 -176.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.62 -40.7 92.86 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.514 0.725 . . . . 0.0 111.877 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -56.26 -46.01 79.82 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 117.993 -1.004 . . . . 0.0 111.849 170.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 63.2 m -56.58 -42.42 78.63 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 120.163 1.347 . . . . 0.0 112.11 176.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -66.74 -35.66 80.63 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.106 -0.996 . . . . 0.0 112.68 174.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.56 -43.53 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 CA-C-N 119.264 0.938 . . . . 0.0 111.231 168.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -60.18 -45.81 91.85 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.447 1.021 . . . . 0.0 111.111 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.01 -50.34 74.47 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.265 0.626 . . . . 0.0 111.169 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.17 -57.84 11.07 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.403 0.681 . . . . 0.0 112.394 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -66.31 -24.03 66.47 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.424 -0.797 . . . . 0.0 112.937 -177.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.83 -50.58 64.45 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 124.853 1.216 . . . . 0.0 113.234 171.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -26.13 63.17 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 118.637 1.218 . . . . 0.0 112.483 175.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 88.5 t -68.12 -20.32 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 124.467 1.107 . . . . 0.0 113.23 172.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.2 141.18 4.36 Favored Glycine 0 CA--C 1.542 1.755 0 C-N-CA 124.785 1.183 . . . . 0.0 114.656 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 60.97 -35.2 0.09 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 128.273 2.629 . . . . 0.0 116.542 -169.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -77.59 -14.0 59.76 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.864 1.265 . . . . 0.0 113.605 173.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.46 -48.06 62.93 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.222 1.409 . . . . 0.0 114.313 -166.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.99 -35.46 92.11 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 121.776 -0.577 . . . . 0.0 113.573 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.51 -44.88 89.53 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.901 0.88 . . . . 0.0 110.578 173.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -66.51 -34.99 79.16 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.61 -48.92 77.97 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 118.996 0.817 . . . . 0.0 112.384 170.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.76 91.78 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.75 0.82 . . . . 0.0 112.118 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.98 -40.49 95.05 Favored 'General case' 0 C--O 1.223 -0.304 0 O-C-N 121.336 -0.853 . . . . 0.0 113.123 173.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.74 -38.01 88.84 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 120.839 1.654 . . . . 0.0 112.302 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -64.44 -50.76 66.28 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.22 1.008 . . . . 0.0 111.215 172.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -60.28 -43.51 96.18 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.432 -0.792 . . . . 0.0 111.701 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -60.69 -40.4 92.05 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.282 1.433 . . . . 0.0 111.542 173.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 13.4 tmm? -61.41 -51.45 68.68 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.404 1.002 . . . . 0.0 111.937 171.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -63.16 -41.18 99.21 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.41 -32.58 62.72 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.914 0.779 . . . . 0.0 112.911 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' D' ' 128' ' ' ALA . 71.1 m -78.12 -18.53 55.54 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -146.94 69.17 11.88 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 123.615 0.766 . . . . 0.0 110.495 -170.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -62.04 -13.76 33.39 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.584 2.856 . . . . 0.0 115.433 -166.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 2.2 p -54.07 -24.96 19.25 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.492 1.517 . . . . 0.0 114.578 163.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 72.7 p -74.72 -35.6 62.69 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.124 1.329 . . . . 0.0 113.152 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -56.08 -34.73 66.26 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 121.305 -0.872 . . . . 0.0 113.298 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 2.4 t -55.69 -26.86 47.06 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' TYR . . . . . 0.499 ' CZ ' HG22 ' C' ' 93' ' ' VAL . 0.6 OUTLIER -63.4 -21.85 66.53 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -174.765 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 30.67 59.02 0.98 Allowed Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 126.878 2.071 . . . . 0.0 113.378 -177.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -46.67 -57.08 2.47 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 124.178 3.252 . . . . 0.0 115.064 -161.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -161.18 17.73 0.11 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.605 1.562 . . . . 0.0 112.699 161.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.68 -176.85 4.55 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.122 1.369 . . . . 0.0 113.327 -162.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -130.78 144.11 51.22 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.451 1.5 . . . . 0.0 109.183 175.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.9 27.81 4.56 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.605 1.562 . . . . 0.0 112.834 -163.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 97.6 p -57.4 167.78 0.91 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.002 1.321 . . . . 0.0 113.763 170.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -57.84 114.51 2.34 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.051 -1.031 . . . . 0.0 110.971 174.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.84 5.38 62.82 Favored Glycine 0 CA--C 1.538 1.511 0 CA-C-O 118.709 -1.051 . . . . 0.0 115.589 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.49 116.28 3.55 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.443 1.621 . . . . 0.0 113.783 -173.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.61 -33.56 64.08 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.219 1.008 . . . . 0.0 113.259 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -62.48 -38.63 90.61 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.664 0.786 . . . . 0.0 112.147 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 65.4 t -69.03 -36.03 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.654 0.782 . . . . 0.0 111.311 173.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -63.99 -45.66 88.04 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.509 1.049 . . . . 0.0 111.621 175.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.21 -51.67 57.39 Favored Glycine 0 N--CA 1.471 0.996 0 C-N-CA 124.052 0.834 . . . . 0.0 112.46 174.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -55.69 -44.22 77.16 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.952 0.901 . . . . 0.0 111.974 173.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -57.93 -49.08 78.02 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 120.894 -1.129 . . . . 0.0 113.689 174.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -55.58 -43.69 76.21 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.097 0.959 . . . . 0.0 112.258 171.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . 0.407 ' HB3' HMA3 ' C' ' 201' ' ' HEC . 0.1 OUTLIER -64.09 -50.35 68.65 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 118.229 -0.891 . . . . 0.0 112.702 175.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 69.0 t -56.03 -43.52 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 120.352 1.433 . . . . 0.0 111.415 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.65 -49.81 73.68 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 175.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -59.85 -35.9 75.75 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.528 -0.733 . . . . 0.0 112.269 176.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' ALA . . . . . 0.519 ' HB2' HMA1 ' C' ' 201' ' ' HEC . . . -63.37 -39.08 93.56 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 121.512 -0.742 . . . . 0.0 112.82 171.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mt -65.47 -41.32 93.46 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 118.664 -0.684 . . . . 0.0 111.802 170.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 48.6 m -59.01 -45.84 89.68 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.959 1.254 . . . . 0.0 111.624 171.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -61.45 -39.92 92.58 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.503 1.921 . . . . 0.0 112.402 175.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.08 -58.23 9.55 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.694 0.679 . . . . 0.0 110.29 167.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 74.4 t -52.09 -41.44 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 125.123 1.369 . . . . 0.0 112.943 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.33 -22.92 65.58 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.401 1.48 . . . . 0.0 114.794 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -135.93 23.97 3.32 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.303 1.441 . . . . 0.0 112.351 -171.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.71 -23.08 25.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 N-CA-C 117.001 2.223 . . . . 0.0 117.001 -154.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.92 -6.11 39.91 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 120.205 1.366 . . . . 0.0 114.314 172.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -119.69 3.24 11.16 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.706 2.402 . . . . 0.0 112.451 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -62.39 -17.06 0.38 Allowed Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 117.995 2.591 . . . . 0.0 117.995 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . 0.514 ' HA ' HG13 ' C' ' 135' ' ' VAL . 87.3 Cg_exo -46.23 -42.87 21.68 Favored 'Trans proline' 0 C--N 1.358 1.051 0 CA-C-N 123.881 2.422 . . . . 0.0 113.996 167.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -75.92 -50.4 15.09 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.126 0.57 . . . . 0.0 110.753 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.63 -16.28 63.79 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -170.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 84.2 mt -101.36 5.65 42.33 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.055 1.342 . . . . 0.0 113.106 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 14.4 t -57.62 -38.01 74.27 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.719 -1.238 . . . . 0.0 113.514 -177.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.49 -26.14 60.83 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.898 1.226 . . . . 0.0 113.495 174.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 mt -89.0 -34.13 16.94 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.536 1.134 . . . . 0.0 110.709 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 13.1 t -57.94 -45.92 85.87 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 117.976 -1.012 . . . . 0.0 111.165 163.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -55.04 -51.13 67.27 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.489 1.495 . . . . 0.0 112.569 172.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.38 -53.39 29.56 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.385 0.674 . . . . 0.0 111.145 171.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -18.42 61.2 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -178.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.25 -11.64 12.57 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 121.128 1.785 . . . . 0.0 114.309 -170.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.4 -5.13 2.61 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.336 1.454 . . . . 0.0 113.96 178.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -129.98 -42.49 1.24 Allowed 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.48 -54.76 2.6 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 23.1 mtm105 46.39 49.1 13.38 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 126.234 1.814 . . . . 0.0 114.443 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . 0.499 HG22 ' CZ ' ' C' ' 42' ' ' TYR . 89.9 t -86.0 139.19 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.75 0.82 . . . . 0.0 111.275 177.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -41.69 127.94 2.44 Favored Pre-proline 0 CA--C 1.554 1.104 0 C-N-CA 127.929 2.492 . . . . 0.0 113.88 168.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -50.22 -15.97 1.65 Allowed 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 125.272 3.981 . . . . 0.0 117.659 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 9.8 p -48.34 -36.06 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.74 1.155 . . . . 0.0 112.325 169.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . 0.455 ' HB3' HMC1 ' C' ' 201' ' ' HEC . 11.5 m-80 -66.1 -38.34 88.0 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.416 -0.802 . . . . 0.0 112.686 176.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -50.41 72.9 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.292 0.951 . . . . 0.0 110.266 172.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -54.79 -48.68 72.41 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.829 0.852 . . . . 0.0 110.412 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.8 -57.21 13.63 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.843 0.857 . . . . 0.0 112.286 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . 0.415 HD21 HBB3 ' C' ' 201' ' ' HEC . 0.1 OUTLIER -58.97 -41.28 87.14 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.008 0.822 . . . . 0.0 112.072 -179.472 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 70.7 m -68.46 -43.46 76.94 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.201 0.91 . . . . 0.0 112.929 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -46.19 91.37 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.793 -0.567 . . . . 0.0 110.755 172.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 93.4 m -62.76 -39.58 94.58 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-O 117.88 -1.057 . . . . 0.0 111.721 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 23.1 mt -56.24 -56.28 22.95 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 120.57 1.532 . . . . 0.0 111.46 172.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 8.2 mt -48.15 -49.39 32.59 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.098 0.863 . . . . 0.0 111.248 176.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.12 -46.27 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 123.777 0.831 . . . . 0.0 112.434 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 86.2 m -65.18 -42.75 93.36 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.379 -0.825 . . . . 0.0 112.422 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.21 -47.46 83.41 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.228 0.922 . . . . 0.0 109.589 175.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.62 -17.09 64.64 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.7 -12.52 47.5 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.313 0.96 . . . . 0.0 113.217 169.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -132.21 -13.9 3.05 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -175.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 11.2 mp -104.8 155.12 37.99 Favored Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 125.264 1.426 . . . . 0.0 110.845 177.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -52.94 -37.04 77.46 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 124.111 3.207 . . . . 0.0 115.973 -170.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.28 -33.9 0.1 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.96 0.904 . . . . 0.0 113.281 173.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 63.8 -4.32 0.36 Allowed 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.57 29.0 2.68 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.527 1.531 . . . . 0.0 111.306 -177.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 2.6 p -54.15 166.11 0.71 Allowed Pre-proline 0 N--CA 1.478 0.959 0 O-C-N 121.361 -0.837 . . . . 0.0 110.289 172.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -49.06 -38.12 39.23 Favored 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 122.053 1.835 . . . . 0.0 115.447 174.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.97 -53.28 6.89 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.819 0.342 . . . . 0.0 111.359 172.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.68 -34.1 65.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 O-C-N 121.177 -0.952 . . . . 0.0 112.165 -168.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -64.99 -51.13 63.38 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 120.833 1.651 . . . . 0.0 112.145 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.9 -44.35 86.73 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 117.834 0.288 . . . . 0.0 110.784 173.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 49.4 m -58.33 -56.64 19.48 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.008 0.523 . . . . 0.0 112.119 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -75.05 -42.36 57.26 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.561 0.745 . . . . 0.0 111.843 -174.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -60.66 -51.18 70.48 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.757 1.162 . . . . 0.0 111.476 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . 0.286 0.0 OUTLIER -71.1 -28.26 64.19 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 178.709 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -64.5 -50.78 66.05 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 119.843 1.201 . . . . 0.0 111.445 170.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.65 -36.54 81.1 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.831 0.742 . . . . 0.0 111.423 175.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.96 -54.52 46.0 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 118.457 -0.783 . . . . 0.0 111.313 170.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 68.0 m -60.74 -40.17 91.4 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 120.339 1.427 . . . . 0.0 114.1 177.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 55.9 t -55.65 -45.36 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.493 1.042 . . . . 0.0 110.43 171.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 68.7 m -74.06 -37.35 64.29 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 95.0 m -53.05 -45.1 67.92 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 120.298 1.408 . . . . 0.0 110.209 167.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 135' ' ' VAL . . . . . 0.514 HG13 ' HA ' ' C' ' 77' ' ' PRO . 20.2 t -67.41 -45.64 85.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 124.289 1.036 . . . . 0.0 113.083 175.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -45.56 93.41 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.7 1.137 . . . . 0.0 111.968 176.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 91.7 m -66.6 -31.51 72.26 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.455 1.502 . . . . 0.0 113.245 175.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 14.1 t -56.56 119.24 5.77 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.907 0.883 . . . . 0.0 111.011 172.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -57.52 -40.44 78.75 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -165.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 42.51 -118.65 0.47 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.575 1.55 . . . . 0.0 113.174 -171.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 . . . . . 0 C--O 1.255 1.374 0 C-N-CA 125.844 1.657 . . . . 0.0 113.772 -172.437 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.326 2.5 p . . . . . 0 N--CA 1.514 2.732 0 CA-C-O 117.077 -1.439 . . . . 0.0 113.002 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 20.77 78.97 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 127.932 2.493 . . . . 0.0 116.151 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.35 160.82 18.11 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.938 -0.476 . . . . 0.0 111.027 175.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 5.5 p -64.86 154.28 86.29 Favored Pre-proline 0 N--CA 1.478 0.946 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.446 164.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.49 -35.64 85.97 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.48 2.12 . . . . 0.0 114.09 174.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.2 -43.6 67.06 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.478 0.711 . . . . 0.0 111.824 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.48 -38.53 84.54 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.324 -0.86 . . . . 0.0 112.139 175.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -53.65 -49.65 67.45 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.283 1.433 . . . . 0.0 110.927 168.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 19.7 t -59.65 -47.07 87.07 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 117.982 0.355 . . . . 0.0 111.621 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.02 -50.58 68.7 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.044 0.938 . . . . 0.0 113.469 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.43 -57.55 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.235 0.47 . . . . 0.0 111.602 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 15.0 m -70.07 -34.06 72.7 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.023 -1.048 . . . . 0.0 112.938 -168.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.56 -38.3 89.54 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.782 1.174 . . . . 0.0 112.455 175.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.28 -30.94 63.76 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.48 -0.763 . . . . 0.0 112.1 174.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -36.92 83.66 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.154 -0.966 . . . . 0.0 112.87 166.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.93 -39.41 91.7 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.893 1.235 . . . . 0.0 114.172 175.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -89.98 -13.33 36.36 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 176.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.89 146.09 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 124.049 0.94 . . . . 0.0 113.432 -174.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -95.19 76.73 3.46 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.832 1.253 . . . . 0.0 109.448 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 95.7 t -47.65 -39.17 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -165.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -63.7 -60.38 3.38 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.965 0.906 . . . . 0.0 112.302 174.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -69.68 -49.58 52.2 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.449 0.7 . . . . 0.0 111.356 -174.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -27.85 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 124.395 1.078 . . . . 0.0 112.291 179.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.05 -42.27 8.91 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-N 119.24 0.927 . . . . 0.0 112.267 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.39 -41.31 93.12 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 118.014 0.907 . . . . 0.0 111.976 166.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -62.65 -55.62 25.25 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 118.159 0.979 . . . . 0.0 112.568 167.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.94 -42.23 65.24 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 121.346 1.884 . . . . 0.0 113.417 -177.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 28.0 tp -78.38 -54.63 5.98 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.737 0.815 . . . . 0.0 111.951 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.7 -44.78 97.01 Favored Glycine 0 CA--C 1.527 0.818 0 O-C-N 120.48 -1.388 . . . . 0.0 112.876 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -71.02 -10.3 59.52 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.487 1.515 . . . . 0.0 113.157 174.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -77.62 -44.48 28.13 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.274 1.397 . . . . 0.0 109.878 161.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.95 -25.44 67.88 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 120.526 -1.359 . . . . 0.0 113.336 175.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 5.0 m -75.18 -17.29 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-N 120.566 1.53 . . . . 0.0 115.068 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.56 2.97 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 CA-C-N 121.445 1.93 . . . . 0.0 113.778 -177.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 48.51 42.72 1.31 Allowed Pre-proline 0 CA--C 1.562 1.418 0 C-N-CA 125.884 1.674 . . . . 0.0 115.276 -163.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -75.63 168.06 25.17 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.566 2.844 . . . . 0.0 113.948 -173.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -24.67 65.08 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.617 1.339 . . . . 0.0 114.617 170.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' THR . . . . . 0.404 ' HB ' HBC2 ' D' ' 201' ' ' HEC . 26.0 p -61.1 -23.9 65.84 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 120.478 -1.388 . . . . 0.0 113.683 171.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -61.47 -9.05 4.86 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 120.886 -1.134 . . . . 0.0 113.443 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -53.47 -33.42 54.14 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 118.929 -2.357 . . . . 0.0 113.348 170.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -88.25 9.17 23.95 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -49.88 -29.07 7.48 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 175.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -55.25 -14.04 1.59 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.14 1.776 . . . . 0.0 115.178 171.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 50.2 m -108.09 16.06 23.68 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.89 2.076 . . . . 0.0 113.386 176.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -117.6 4.8 12.36 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.691 1.196 . . . . 0.0 113.644 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.97 -35.48 2.12 Favored Glycine 0 CA--C 1.535 1.309 0 N-CA-C 117.105 1.602 . . . . 0.0 117.105 162.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -141.44 -91.04 0.15 Allowed 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 119.277 1.539 . . . . 0.0 111.72 -176.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 43.99 1.04 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 120.143 3.386 . . . . 0.0 120.143 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -59.76 -21.57 60.93 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 120.37 1.441 . . . . 0.0 114.231 -167.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 62.9 p -124.35 157.45 64.67 Favored Pre-proline 0 N--CA 1.47 0.562 0 C-N-CA 125.287 1.435 . . . . 0.0 110.545 164.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -55.84 -40.52 84.65 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.867 2.378 . . . . 0.0 114.678 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.83 -39.63 92.46 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.628 -0.67 . . . . 0.0 111.958 175.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.37 99.25 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.82 -25.97 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-N 119.808 1.185 . . . . 0.0 113.385 178.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.6 -36.75 43.86 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.148 0.885 . . . . 0.0 112.901 174.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.19 -27.72 19.91 Favored Glycine 0 CA--C 1.536 1.344 0 N-CA-C 115.103 0.801 . . . . 0.0 115.103 -174.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.15 133.41 84.26 Favored Pre-proline 0 CA--C 1.557 1.222 0 CA-C-N 118.446 1.123 . . . . 0.0 113.528 -174.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.23 -32.71 16.12 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.741 2.294 . . . . 0.0 114.0 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -59.68 -45.74 91.16 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 120.444 1.474 . . . . 0.0 111.012 173.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.08 -37.16 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 119.403 1.001 . . . . 0.0 112.743 174.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -68.96 -49.48 57.58 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 120.042 1.292 . . . . 0.0 113.029 174.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.63 98.48 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.963 0.905 . . . . 0.0 112.463 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -68.16 -33.45 74.5 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.923 -1.111 . . . . 0.0 111.791 174.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.18 -48.68 58.54 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.997 1.761 . . . . 0.0 113.467 165.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -59.81 -42.62 93.87 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 117.865 0.833 . . . . 0.0 112.01 171.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -62.03 -54.41 41.86 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.302 0.955 . . . . 0.0 113.128 175.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 12.8 p -57.77 -46.88 86.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 119.859 1.209 . . . . 0.0 112.118 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 5.1 tt -69.19 -39.24 78.79 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.168 -0.957 . . . . 0.0 111.691 177.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.83 -39.51 47.69 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.357 1.456 . . . . 0.0 113.788 171.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.44 -50.34 70.15 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.342 1.071 . . . . 0.0 111.915 168.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -59.09 -34.94 72.58 Favored 'General case' 0 CA--C 1.553 1.086 0 O-C-N 120.411 -1.431 . . . . 0.0 114.117 175.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 98.3 p -74.51 -37.72 63.02 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.262 -1.524 . . . . 0.0 113.445 173.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -56.98 -32.48 66.12 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.403 1.001 . . . . 0.0 111.696 164.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.1 -60.33 9.17 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 123.699 0.666 . . . . 0.0 111.857 170.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 mt -58.66 -26.85 64.22 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.82 -18.64 43.29 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 173.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -140.4 34.48 1.86 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.942 1.297 . . . . 0.0 113.234 -170.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 84.8 mt -55.87 -21.66 21.19 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -57.69 -33.13 68.04 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.122 1.369 . . . . 0.0 114.435 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -162.15 65.49 0.23 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.423 1.01 . . . . 0.0 113.166 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 98.5 mt -45.8 -46.6 15.49 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.838 1.255 . . . . 0.0 113.758 -175.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -4.37 3.56 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 178.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.85 -10.36 52.68 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 125.433 1.492 . . . . 0.0 114.502 172.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 3.4 m -119.06 -28.7 5.44 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.952 1.301 . . . . 0.0 111.982 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -90.48 -4.68 56.79 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.257 1.023 . . . . 0.0 113.667 -177.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.92 -37.95 61.33 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 115.67 1.729 . . . . 0.0 115.67 -165.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 19.4 p -62.98 -41.7 99.63 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.065 0.946 . . . . 0.0 112.29 173.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 50.8 mt -66.98 -42.67 84.67 Favored 'General case' 0 C--O 1.221 -0.428 0 C-N-CA 124.188 0.995 . . . . 0.0 110.956 171.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 7.0 m -61.86 -37.97 86.52 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.41 1.459 . . . . 0.0 112.51 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.66 -51.31 65.7 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.939 0.896 . . . . 0.0 111.949 171.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 21.6 tp -50.3 -52.77 33.75 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.246 -0.909 . . . . 0.0 111.354 171.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -71.34 9.02 0.86 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.211 1.404 . . . . 0.0 114.762 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 43.7 t -131.74 -69.99 0.59 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.241 1.016 . . . . 0.0 110.699 173.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.72 -16.73 64.05 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.196 1.398 . . . . 0.0 114.295 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.12 -37.08 5.67 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.257 1.023 . . . . 0.0 112.574 166.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 12.5 mt -133.61 51.62 2.13 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 124.644 1.178 . . . . 0.0 113.745 -166.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -62.09 25.69 0.01 OUTLIER 'General case' 0 CA--C 1.567 1.621 0 C-N-CA 127.24 2.216 . . . . 0.0 116.753 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 9.3 m -55.63 155.98 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.767 1.627 . . . . 0.0 113.372 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -56.33 136.67 75.7 Favored Pre-proline 0 CA--C 1.558 1.259 0 O-C-N 120.649 -1.282 . . . . 0.0 113.257 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -44.65 -32.8 6.18 Favored 'Trans proline' 0 CA--C 1.545 1.07 0 C-N-CA 124.077 3.185 . . . . 0.0 116.206 173.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.38 -32.26 69.98 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 119.979 -1.7 . . . . 0.0 113.029 175.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -57.76 -38.23 75.02 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.035 -1.04 . . . . 0.0 111.697 175.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -68.62 -45.86 70.78 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.669 1.188 . . . . 0.0 111.012 174.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -38.39 69.9 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 118.847 -0.596 . . . . 0.0 112.229 172.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -49.96 67.78 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.509 1.049 . . . . 0.0 111.64 177.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.07 -46.6 78.94 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 122.799 0.44 . . . . 0.0 110.415 174.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.92 -44.27 96.21 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.628 1.109 . . . . 0.0 115.025 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.6 -46.06 91.65 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.647 1.224 . . . . 0.0 111.282 174.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.59 -37.08 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 O-C-N 121.203 -0.936 . . . . 0.0 113.039 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 57.0 tp -57.38 -57.07 14.28 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.187 0.903 . . . . 0.0 110.425 171.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 111' ' ' VAL . . . . . 0.479 HG12 ' HB3' ' D' ' 130' ' ' TYR . 16.9 m -63.45 -28.76 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 119.824 1.193 . . . . 0.0 113.432 -178.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 6.3 m -53.66 -64.09 0.94 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 117.766 -1.111 . . . . 0.0 111.41 167.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 2.9 p -51.46 -36.84 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 119.994 1.27 . . . . 0.0 113.392 -173.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.12 -47.82 81.15 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.59 -0.694 . . . . 0.0 110.824 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.54 12.99 0.52 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.119 1.367 . . . . 0.0 113.805 173.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -118.41 -53.1 2.35 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.873 1.269 . . . . 0.0 110.163 177.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 -69.75 -31.38 69.31 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.599 -0.688 . . . . 0.0 112.578 172.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -119.05 32.87 5.9 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.57 1.548 . . . . 0.0 110.885 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -57.03 -31.73 61.92 Favored Glycine 0 CA--C 1.539 1.541 0 O-C-N 120.755 -1.216 . . . . 0.0 114.651 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -66.7 -16.07 63.96 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.702 1.201 . . . . 0.0 113.851 171.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -109.72 14.75 23.18 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 127.198 2.199 . . . . 0.0 111.711 -174.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -65.55 83.58 0.06 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.52 1.528 . . . . 0.0 112.547 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.91 158.22 84.22 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 124.32 1.048 . . . . 0.0 112.216 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . 0.496 ' CB ' ' HD3' ' D' ' 125' ' ' PRO 0.386 3.3 Cg_exo -27.96 -91.88 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.028 1 C-N-CA 126.971 5.114 . . . . 0.0 118.544 -169.28 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' D' D ' 125' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' D' ' 124' ' ' PRO . 23.5 Cg_exo -83.03 25.9 0.67 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 CA-C-N 124.513 2.647 . . . . 0.0 116.928 169.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 6.2 p -51.79 -41.15 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 CA-C-N 122.272 2.306 . . . . 0.0 114.448 -168.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -59.18 -48.21 82.44 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.31 0.959 . . . . 0.0 111.366 173.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 128' ' ' ALA . . . . . 0.403 ' HB2' ' HA ' ' C' ' 35' ' ' SER . . . -63.46 -37.13 86.13 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.251 1.021 . . . . 0.0 112.882 178.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.36 -51.72 64.75 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.581 0.752 . . . . 0.0 110.364 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 130' ' ' TYR . . . . . 0.479 ' HB3' HG12 ' D' ' 111' ' ' VAL . 34.8 m-85 -57.66 -46.96 83.57 Favored 'General case' 0 C--O 1.222 -0.346 0 O-C-N 121.43 -0.793 . . . . 0.0 112.059 169.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -56.65 -33.1 66.01 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 119.948 1.249 . . . . 0.0 113.174 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -68.11 -45.28 74.11 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 120.435 1.47 . . . . 0.0 113.975 172.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 4.3 p -67.49 -38.46 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-N 120.342 1.428 . . . . 0.0 111.668 173.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.33 -45.1 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 124.739 1.216 . . . . 0.0 111.656 175.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.63 97.84 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.89 0.876 . . . . 0.0 112.063 172.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.19 -46.58 85.44 Favored Glycine 0 N--CA 1.474 1.188 0 O-C-N 121.785 -0.572 . . . . 0.0 112.943 172.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 51.5 t -65.98 -44.3 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.028 0.931 . . . . 0.0 111.907 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.14 -47.96 77.16 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.148 0.886 . . . . 0.0 111.584 173.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -65.04 -38.19 90.05 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.088 0.955 . . . . 0.0 113.003 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.25 -43.29 91.81 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.114 0.966 . . . . 0.0 112.528 175.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.18 -38.15 89.61 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.908 -1.12 . . . . 0.0 112.053 171.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.94 -5.27 16.2 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 170.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -55.96 -44.84 78.86 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 119.853 -1.78 . . . . 0.0 112.884 -175.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -66.19 -3.1 5.02 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -77.49 -21.84 52.19 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.202 1.001 . . . . 0.0 111.689 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 73.0 m80 . . . . . 0 C--O 1.256 1.407 0 C-N-CA 126.191 1.796 . . . . 0.0 112.575 175.544 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.527 HMA1 ' HB2' ' A' ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 201' ' ' HEC . . . . . 0.505 ' HHC' HBB3 ' B' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 201' ' ' HEC . . . . . 0.519 HMA1 ' HB2' ' C' ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 201' ' ' HEC . . . . . 0.503 ' HHC' HBB3 ' D' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.5 m . . . . . 0 N--CA 1.515 2.823 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mp -142.64 -161.71 1.29 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.344 1.458 . . . . 0.0 111.165 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.9 p -115.51 153.09 47.7 Favored Pre-proline 0 N--CA 1.483 1.186 0 CA-C-N 120.178 1.354 . . . . 0.0 112.755 -172.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.33 -35.89 22.5 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.002 1.802 . . . . 0.0 113.763 -162.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.15 77.51 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 177.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.32 -44.39 79.25 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.041 0.837 . . . . 0.0 111.314 174.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -54.64 -48.19 72.58 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.603 0.638 . . . . 0.0 110.956 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.1 m -54.07 -47.93 71.15 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.77 0.828 . . . . 0.0 112.295 176.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -78.39 -28.19 46.9 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.1 -48.89 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-N 119.501 1.046 . . . . 0.0 110.2 167.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -58.06 -47.02 84.43 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 118.92 0.782 . . . . 0.0 111.27 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.89 -53.45 58.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.283 0.633 . . . . 0.0 112.101 177.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.53 -52.12 66.99 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.873 0.869 . . . . 0.0 112.061 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -65.83 -26.74 67.81 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.592 -0.692 . . . . 0.0 112.844 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.28 -40.83 97.94 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.566 1.079 . . . . 0.0 113.582 169.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -67.84 -37.75 82.29 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 118.551 1.175 . . . . 0.0 111.533 173.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 67.0 t -67.45 -24.5 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.997 1.719 . . . . 0.0 113.666 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.18 121.91 1.1 Allowed Glycine 0 CA--C 1.541 1.682 0 C-N-CA 125.103 1.335 . . . . 0.0 114.054 175.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 84.48 -31.89 0.07 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 129.658 3.183 . . . . 0.0 114.562 -175.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -88.08 -6.35 57.98 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.466 1.106 . . . . 0.0 113.158 170.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -46.4 -53.04 11.79 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.835 1.654 . . . . 0.0 113.662 -176.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.31 -36.58 89.67 Favored Glycine 0 N--CA 1.471 0.969 0 O-C-N 121.676 -0.64 . . . . 0.0 114.013 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.6 -43.75 84.93 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.329 1.452 . . . . 0.0 111.773 170.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -74.28 -36.22 63.78 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.717 -1.239 . . . . 0.0 113.566 176.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.66 -49.05 72.71 Favored Glycine 0 CA--C 1.533 1.198 0 CA-C-N 119.419 1.009 . . . . 0.0 111.54 168.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.8 -52.07 66.99 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.287 1.035 . . . . 0.0 111.752 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -64.71 -33.97 77.21 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 119.222 0.919 . . . . 0.0 112.312 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.1 -38.19 78.8 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.861 -1.149 . . . . 0.0 112.488 175.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.0 mt -62.6 -47.99 81.39 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.9 0.88 . . . . 0.0 111.091 169.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -59.03 -45.96 89.41 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.041 0.936 . . . . 0.0 111.512 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -51.36 -55.6 17.61 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.814 1.246 . . . . 0.0 111.874 169.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -54.32 -41.67 69.26 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.319 1.048 . . . . 0.0 112.724 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -65.31 -24.64 67.33 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 176.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -115.09 -13.19 11.85 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -173.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.1 p -75.96 -40.12 54.6 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.073 0.949 . . . . 0.0 111.768 161.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -131.83 81.57 62.68 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 126.0 1.72 . . . . 0.0 110.94 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -52.2 -15.88 4.12 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 124.618 3.546 . . . . 0.0 116.903 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.1 p -53.58 -44.32 69.26 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.41 1.084 . . . . 0.0 112.189 167.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.7 p -59.71 -27.85 66.82 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -177.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -53.3 -35.35 60.03 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.444 1.02 . . . . 0.0 112.133 170.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.58 -20.74 66.43 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 178.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.43 -18.26 65.26 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.447 -0.783 . . . . 0.0 113.07 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.2 79.06 10.02 Favored Pre-proline 0 CA--C 1.552 1.047 0 CA-C-N 119.412 1.006 . . . . 0.0 112.217 174.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.48 24.3 0.28 Allowed 'Trans proline' 0 CA--C 1.553 1.429 0 C-N-CA 125.079 3.853 . . . . 0.0 115.767 -168.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.16 -11.3 4.69 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.927 1.691 . . . . 0.0 113.063 176.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -76.91 123.58 26.49 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.641 0.776 . . . . 0.0 112.211 -168.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -81.85 62.88 5.85 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.19 0.996 . . . . 0.0 111.621 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 pp -65.55 22.32 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 126.735 2.014 . . . . 0.0 115.768 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 m -58.13 160.32 5.06 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.22 1.808 . . . . 0.0 112.855 173.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -57.9 123.94 17.54 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.066 -1.021 . . . . 0.0 110.971 173.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.09 7.1 66.13 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-O 119.048 -0.862 . . . . 0.0 115.216 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.8 t -53.84 108.17 0.33 Allowed 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.058 1.429 . . . . 0.0 114.276 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.9 -32.93 64.18 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.164 0.986 . . . . 0.0 112.516 170.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -66.03 -44.27 85.16 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.09 0.556 . . . . 0.0 111.337 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.07 -35.77 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.536 174.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -63.38 -47.02 83.79 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 120.217 1.371 . . . . 0.0 111.958 174.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.06 -51.57 56.02 Favored Glycine 0 N--CA 1.47 0.945 0 C-N-CA 124.191 0.901 . . . . 0.0 112.259 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -57.89 -41.78 83.29 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.777 -0.837 . . . . 0.0 111.496 173.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.95 -51.1 51.97 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 124.512 1.053 . . . . 0.0 113.712 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -54.48 -43.67 71.93 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 118.651 1.225 . . . . 0.0 112.391 172.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -65.93 -48.57 70.93 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.001 0.818 . . . . 0.0 112.307 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.8 t -54.7 -47.72 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 119.053 0.842 . . . . 0.0 111.033 172.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.43 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -67.75 -40.63 84.1 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -64.16 -37.31 87.01 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.233 -0.917 . . . . 0.0 111.875 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HB2' HMA1 ' A' ' 201' ' ' HEC . . . -63.11 -35.36 80.02 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.484 -0.76 . . . . 0.0 112.991 168.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mt -63.41 -45.28 91.71 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.224 0.92 . . . . 0.0 111.604 168.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.4 m -55.28 -45.87 76.18 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 120.286 1.403 . . . . 0.0 111.9 172.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -61.49 -43.98 97.9 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.996 1.319 . . . . 0.0 112.258 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.04 -50.51 70.74 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.53 -0.731 . . . . 0.0 111.412 170.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.99 -42.46 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.898 0.879 . . . . 0.0 112.055 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.91 -23.79 67.48 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 178.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -134.05 25.11 3.92 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.059 1.343 . . . . 0.0 112.699 -171.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.7 p -60.21 -25.6 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -169.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -71.99 -21.72 61.53 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 120.89 -1.131 . . . . 0.0 113.863 173.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -128.16 24.29 5.97 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 127.602 2.361 . . . . 0.0 111.95 -173.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.2 ttp -51.93 -36.14 27.89 Favored Pre-proline 0 CA--C 1.548 0.883 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -171.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.52 46.6 0.47 Allowed 'Trans proline' 0 CA--C 1.556 1.584 0 C-N-CA 124.403 3.402 . . . . 0.0 114.584 168.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -157.81 -39.05 0.07 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 128.588 2.755 . . . . 0.0 109.464 168.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.41 77.81 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.342 1.057 . . . . 0.0 113.833 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.9 mt -100.36 9.47 42.61 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -175.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 56.6 m -58.13 -31.81 67.54 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -177.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.41 70.26 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 120.849 -1.157 . . . . 0.0 112.973 171.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.2 mt -81.36 -35.04 31.33 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.259 1.023 . . . . 0.0 111.679 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 p -59.66 -43.7 93.83 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 118.727 -0.654 . . . . 0.0 110.458 167.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.65 -49.4 75.14 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.612 1.565 . . . . 0.0 112.385 173.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 tp -47.95 -67.19 0.3 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.723 1.209 . . . . 0.0 110.528 170.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -27.51 68.48 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -171.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.48 -41.7 69.01 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.773 0.829 . . . . 0.0 111.782 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -73.07 -45.55 56.66 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.429 0.692 . . . . 0.0 112.608 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.55 157.56 32.27 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.294 1.438 . . . . 0.0 112.216 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.9 mt 51.74 68.47 0.8 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.654 1.182 . . . . 0.0 113.102 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -63.06 13.52 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 118.042 2.608 . . . . 0.0 118.042 -170.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.0 t 25.37 86.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 129.524 3.13 . . . . 0.0 115.131 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -41.36 122.18 2.12 Favored Pre-proline 0 CA--C 1.549 0.911 0 C-N-CA 123.729 0.812 . . . . 0.0 111.099 164.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -40.8 -32.15 0.82 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 124.622 3.548 . . . . 0.0 116.014 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.4 p -50.56 -41.49 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 120.371 1.441 . . . . 0.0 111.484 174.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -74.36 -28.75 61.27 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 123.693 0.797 . . . . 0.0 111.349 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -57.32 -52.97 63.18 Favored 'General case' 0 C--N 1.344 0.346 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.081 162.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -56.83 -45.12 82.56 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.386 0.994 . . . . 0.0 110.291 -174.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.34 -61.15 2.68 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.251 1.02 . . . . 0.0 111.305 173.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 67.2 tp -57.75 -42.74 84.55 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.333 0.97 . . . . 0.0 112.162 -177.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.7 t -56.66 -53.64 55.31 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 124.757 1.223 . . . . 0.0 110.959 177.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -58.67 -46.83 86.35 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.937 0.495 . . . . 0.0 111.592 177.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 88.5 m -60.46 -39.96 89.45 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.77 0.828 . . . . 0.0 112.468 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.6 mt -61.59 -52.51 64.11 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 119.351 0.978 . . . . 0.0 110.664 173.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 17.9 mt -51.85 -47.49 64.39 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.526 0.73 . . . . 0.0 111.202 176.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.5 t -57.77 -50.13 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.21 1.004 . . . . 0.0 111.942 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.8 m -64.77 -37.05 86.3 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.21 0.914 . . . . 0.0 112.267 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.7 mt -64.03 -43.78 94.5 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.703 1.138 . . . . 0.0 111.954 172.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.86 -32.61 65.99 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 175.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.35 -6.13 22.65 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 175.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 -34.58 0.82 Allowed 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 -174.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.0 mp -67.21 158.4 81.77 Favored Pre-proline 0 CA--C 1.554 1.115 0 CA-C-N 119.338 0.972 . . . . 0.0 112.727 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -54.8 -32.99 79.39 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 123.927 3.084 . . . . 0.0 115.474 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.95 -53.39 0.2 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.537 1.135 . . . . 0.0 112.183 175.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 65.61 -32.03 0.15 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 127.135 2.174 . . . . 0.0 114.442 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -75.23 -5.23 43.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.011 1.725 . . . . 0.0 115.434 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.81 156.8 6.18 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 123.766 0.826 . . . . 0.0 111.01 -176.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.31 -46.35 22.1 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 121.271 1.314 . . . . 0.0 113.47 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.7 -12.31 60.39 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.5 t -104.3 -46.46 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 119.638 1.108 . . . . 0.0 111.801 175.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.578 ' CD2' HH21 ' B' ' 30' ' ' ARG . 4.1 t-80 -72.35 -40.23 67.53 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 121.234 1.834 . . . . 0.0 113.218 -175.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.93 -54.14 50.23 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.511 1.05 . . . . 0.0 110.321 166.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.4 t -49.9 -57.62 7.09 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.08 1.352 . . . . 0.0 113.438 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.63 -39.17 80.88 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 118.712 -0.661 . . . . 0.0 111.361 -176.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.42 -53.99 46.78 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.621 1.1 . . . . 0.0 112.022 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -33.3 75.52 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 119.082 -0.485 . . . . 0.0 111.269 178.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -62.71 -53.72 50.15 Favored 'General case' 0 CA--C 1.526 0.05 0 CA-C-N 119.123 0.874 . . . . 0.0 111.61 173.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 33.7 mt -60.89 -36.56 79.55 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.416 1.007 . . . . 0.0 112.175 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.14 -32.03 72.58 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.188 0.904 . . . . 0.0 113.411 171.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.7 m -77.31 -37.06 53.44 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.389 -1.445 . . . . 0.0 112.888 171.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.95 -51.64 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 119.135 0.879 . . . . 0.0 109.414 171.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 86.8 p -64.83 -40.64 95.52 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 118.238 -0.887 . . . . 0.0 113.196 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.3 m -48.94 -50.85 33.46 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.607 1.094 . . . . 0.0 111.203 169.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 91.6 t -65.88 -40.83 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 O-C-N 121.205 -0.935 . . . . 0.0 111.225 177.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -24.19 67.28 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 4.1 t -102.04 -17.25 16.15 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.687 1.195 . . . . 0.0 113.109 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 10.9 t -63.29 172.65 1.83 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.507 1.123 . . . . 0.0 112.372 165.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -125.72 127.09 45.67 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.317 1.447 . . . . 0.0 110.511 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -149.93 101.42 3.03 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.305 1.442 . . . . 0.0 109.921 -176.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 . . . . . 0 C--O 1.255 1.354 0 C-N-CA 127.353 2.261 . . . . 0.0 114.479 -175.699 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.301 2.4 p . . . . . 0 N--CA 1.51 2.529 0 CA-C-O 116.876 -1.535 . . . . 0.0 113.285 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 64.1 t60 13.5 85.36 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 128.145 2.578 . . . . 0.0 116.054 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.51 157.05 17.99 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.229 0.612 . . . . 0.0 110.841 177.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 7.8 p -64.3 154.6 82.75 Favored Pre-proline 0 N--CA 1.48 1.046 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.498 165.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -54.21 -39.33 86.85 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 122.468 2.112 . . . . 0.0 113.633 174.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -67.11 -46.0 75.47 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.534 0.734 . . . . 0.0 111.839 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.13 -38.86 79.07 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.791 178.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -54.23 -51.63 63.86 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.79 1.177 . . . . 0.0 110.745 168.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.6 t -54.87 -45.74 74.65 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.678 0.672 . . . . 0.0 111.331 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.69 -52.44 64.91 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.222 1.009 . . . . 0.0 113.128 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.1 p -66.46 -56.04 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.786 1.175 . . . . 0.0 112.168 176.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -67.36 -33.97 76.34 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.577 1.081 . . . . 0.0 112.686 -169.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.08 -38.27 78.92 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.69 1.132 . . . . 0.0 112.366 175.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.66 -39.8 88.34 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.852 -1.155 . . . . 0.0 110.748 172.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . 0.424 ' HE1' ' HB3' ' B' ' 72' ' ' SER . 0.2 OUTLIER -63.97 -6.97 7.04 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 115.197 1.555 . . . . 0.0 115.197 167.032 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.71 -39.73 8.64 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.93 1.252 . . . . 0.0 113.443 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.43 -10.33 38.39 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 175.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 p -53.28 139.24 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.502 1.121 . . . . 0.0 112.954 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -88.27 93.63 9.57 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 169.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.525 HG13 HD22 ' B' ' 68' ' ' LEU . 49.8 t -52.95 -39.02 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.457 1.103 . . . . 0.0 113.306 -174.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -72.04 -31.18 65.91 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.406 1.261 . . . . 0.0 114.406 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -97.47 -42.36 7.75 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.116 0.871 . . . . 0.0 112.24 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -31.51 53.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 119.359 0.982 . . . . 0.0 111.269 168.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.15 -49.22 54.76 Favored Glycine 0 C--N 1.341 0.808 0 CA-C-N 120.072 1.306 . . . . 0.0 111.439 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.77 -47.95 88.43 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 117.362 0.581 . . . . 0.0 112.666 174.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -67.8 -35.29 78.38 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 117.439 -1.267 . . . . 0.0 112.462 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.14 -56.39 17.19 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 122.009 2.186 . . . . 0.0 110.715 175.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 tp -68.73 -36.78 78.85 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 121.634 -0.666 . . . . 0.0 111.479 -176.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.65 -51.6 57.66 Favored Glycine 0 CA--C 1.527 0.833 0 O-C-N 121.42 -0.8 . . . . 0.0 112.543 170.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.578 HH21 ' CD2' ' A' ' 122' ' ' HIS . 31.1 ttt180 -56.0 -23.36 32.3 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.795 1.638 . . . . 0.0 113.565 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.479 ' HA ' HG21 ' B' ' 109' ' ' VAL . 47.7 tp -65.09 -57.74 7.85 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.721 1.146 . . . . 0.0 110.256 167.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.18 -31.13 71.32 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.51 -0.744 . . . . 0.0 112.068 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.485 HG22 ' HA ' ' B' ' 30' ' ' ARG . 2.2 m -66.29 -8.0 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 176.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.9 -2.53 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 120.783 1.629 . . . . 0.0 112.69 171.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 56.38 41.5 0.79 Allowed Pre-proline 0 CA--C 1.564 1.499 0 O-C-N 120.941 -1.099 . . . . 0.0 113.247 -166.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -76.45 162.45 33.38 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.471 2.781 . . . . 0.0 113.06 -170.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 5.5 p90 -60.27 -25.37 65.65 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 120.91 -1.119 . . . . 0.0 113.805 168.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 42.2 p -55.72 -28.81 57.76 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.86 0.864 . . . . 0.0 112.948 172.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -58.45 -21.29 50.63 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.58 1.552 . . . . 0.0 113.208 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -27.8 18.2 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-N 120.297 1.408 . . . . 0.0 113.361 173.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.09 13.09 36.3 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.5 -8.6 27.56 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 176.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -49.95 -27.14 4.91 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.899 1.28 . . . . 0.0 114.349 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 49.6 p -96.18 -24.47 16.25 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.268 1.427 . . . . 0.0 114.34 172.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.61 -40.09 92.23 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.411 1.485 . . . . 0.0 112.009 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.98 -175.49 34.99 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 123.989 0.804 . . . . 0.0 114.846 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 43.61 -110.62 0.17 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.642 1.977 . . . . 0.0 111.997 -166.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 tt 60.38 -17.32 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 128.039 2.536 . . . . 0.0 117.504 174.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 14.1 t -49.38 -28.52 5.13 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.299 1.84 . . . . 0.0 113.58 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 81.4 p -125.5 150.77 68.9 Favored Pre-proline 0 N--CA 1.472 0.642 0 C-N-CA 123.173 0.589 . . . . 0.0 110.394 149.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -66.12 -26.08 50.41 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.493 2.129 . . . . 0.0 113.67 173.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -57.68 -38.85 75.84 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.838 -1.164 . . . . 0.0 111.323 167.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.61 -38.35 77.21 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 118.288 -0.863 . . . . 0.0 112.528 170.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.6 -41.44 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 CA-C-N 121.289 1.859 . . . . 0.0 113.006 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 25.3 ptp -77.77 -18.48 56.39 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 177.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -96.17 -23.43 17.22 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.454 1.026 . . . . 0.0 114.764 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -52.49 117.13 9.96 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 126.534 1.934 . . . . 0.0 112.012 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -47.7 -40.39 31.04 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.985 3.123 . . . . 0.0 114.582 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -65.04 -41.84 94.84 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.61 0.764 . . . . 0.0 111.897 176.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 86.0 t -69.09 -34.62 64.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 119.54 1.064 . . . . 0.0 111.866 175.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -64.4 -45.7 86.5 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 120.299 1.409 . . . . 0.0 111.628 170.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.39 -49.89 75.07 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.236 1.014 . . . . 0.0 112.789 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -33.18 75.04 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.68 -1.262 . . . . 0.0 112.925 173.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.31 -53.03 43.5 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 124.192 0.901 . . . . 0.0 111.899 167.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.6 -40.34 75.13 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 118.025 0.912 . . . . 0.0 112.463 172.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -67.14 -54.89 17.11 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.293 1.037 . . . . 0.0 113.413 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 17.6 m -59.18 -36.76 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 120.317 1.417 . . . . 0.0 111.452 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.525 HD22 HG13 ' B' ' 20' ' ' VAL . 7.0 tt -66.03 -41.24 91.16 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.507 1.123 . . . . 0.0 111.944 172.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.22 -37.08 78.56 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.164 1.364 . . . . 0.0 113.323 176.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.59 -44.55 93.68 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.609 -0.936 . . . . 0.0 112.376 169.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -59.72 -43.16 94.27 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 120.889 -1.132 . . . . 0.0 112.496 173.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . 0.424 ' HB3' ' HE1' ' B' ' 15' ' ' TRP . 94.6 p -68.98 -40.39 78.85 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.711 1.141 . . . . 0.0 112.847 177.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -57.12 -34.75 68.67 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.889 0.768 . . . . 0.0 111.584 167.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.78 -60.66 8.33 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.664 1.126 . . . . 0.0 112.204 169.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.85 -29.95 69.82 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.059 1.43 . . . . 0.0 114.005 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.94 -27.58 64.87 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 172.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -143.73 49.46 1.39 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.555 1.542 . . . . 0.0 112.716 -170.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.08 -20.81 56.79 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.836 -1.165 . . . . 0.0 113.724 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -66.19 -24.27 66.6 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.135 1.374 . . . . 0.0 114.235 173.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -88.07 -73.28 0.49 Allowed 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 118.924 0.784 . . . . 0.0 111.662 -173.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 50.9 22.17 1.12 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 175.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -147.35 -61.02 0.28 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 126.072 1.749 . . . . 0.0 110.355 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.51 -30.26 60.49 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.323 0.964 . . . . 0.0 114.337 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -28.73 66.14 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.294 1.438 . . . . 0.0 113.522 174.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -122.69 12.35 9.89 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.503 1.121 . . . . 0.0 113.391 -174.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.34 -30.08 66.44 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 120.021 1.282 . . . . 0.0 114.357 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 20.7 p -71.22 -39.76 71.53 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.243 1.017 . . . . 0.0 112.366 170.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 16.9 mt -74.25 -40.12 62.57 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.743 1.217 . . . . 0.0 111.588 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 98.4 p -59.37 -52.66 64.68 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 123.348 0.659 . . . . 0.0 109.408 173.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -56.66 -45.54 81.61 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.985 0.914 . . . . 0.0 113.305 174.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.5 -64.13 0.97 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.139 0.882 . . . . 0.0 111.469 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -72.27 -19.72 61.64 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 118.107 -0.949 . . . . 0.0 112.645 -174.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 1.3 p -88.06 -27.61 21.87 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.517 1.508 . . . . 0.0 114.391 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -114.98 -30.67 6.32 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.741 1.155 . . . . 0.0 112.82 -172.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -27.51 35.49 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.419 0.687 . . . . 0.0 112.487 170.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 6.2 mt -129.3 -36.33 1.72 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.324 1.05 . . . . 0.0 113.818 -173.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 49.33 25.65 1.34 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.097 2.159 . . . . 0.0 115.843 -171.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 2.8 m -59.01 143.05 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.378 1.071 . . . . 0.0 113.308 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.64 141.66 97.93 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 125.878 1.671 . . . . 0.0 114.579 -169.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -51.45 -35.24 54.4 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 124.124 3.216 . . . . 0.0 117.832 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -58.57 -27.03 64.22 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.778 -1.201 . . . . 0.0 112.924 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -61.18 -37.7 83.87 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.699 0.8 . . . . 0.0 111.712 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.05 -47.19 72.11 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.719 0.808 . . . . 0.0 110.223 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 60.8 mtm-85 -56.94 -46.43 82.07 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.925 174.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 mt -54.39 -50.81 66.67 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.716 0.806 . . . . 0.0 113.061 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 tt -58.27 -41.53 84.51 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.401 0.68 . . . . 0.0 111.088 174.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -60.64 -48.94 83.74 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 121.076 -1.015 . . . . 0.0 114.673 174.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -59.12 -43.4 91.93 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.313 -1.11 . . . . 0.0 110.46 174.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.479 HG21 ' HA ' ' B' ' 31' ' ' LEU . 9.7 t -58.12 -47.96 85.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 124.202 1.001 . . . . 0.0 112.194 174.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 35.5 tp -56.07 -52.5 64.06 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 119.035 0.834 . . . . 0.0 110.959 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.495 HG12 ' HB3' ' B' ' 130' ' ' TYR . 5.7 m -64.56 -29.82 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 O-C-N 121.463 -0.773 . . . . 0.0 111.441 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.01 -35.57 64.4 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.361 -0.837 . . . . 0.0 112.814 176.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.88 -36.45 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 119.79 -1.819 . . . . 0.0 111.529 169.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.68 -37.0 85.72 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.532 0.605 . . . . 0.0 110.907 174.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.09 75.64 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 170.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -66.05 -59.49 3.75 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.08 0.855 . . . . 0.0 112.005 170.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -68.27 -28.28 67.06 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -171.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -128.74 22.69 5.84 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.12 0.968 . . . . 0.0 113.093 -170.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -43.89 -36.8 3.85 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.65 1.595 . . . . 0.0 116.589 -176.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -60.59 -24.29 65.35 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 125.598 1.559 . . . . 0.0 114.335 174.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -122.14 -8.86 8.72 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.188 2.195 . . . . 0.0 112.491 -174.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -80.51 70.06 7.13 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.439 1.496 . . . . 0.0 112.211 -172.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 32.4 p -63.59 160.3 44.86 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 124.402 1.081 . . . . 0.0 113.045 -175.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -47.4 -52.61 7.66 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.889 2.392 . . . . 0.0 115.142 167.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.64 -26.95 68.94 Favored 'Trans proline' 0 C--N 1.353 0.782 0 CA-C-N 121.522 1.579 . . . . 0.0 113.701 177.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -49.95 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 120.526 1.512 . . . . 0.0 110.835 171.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -36.95 85.99 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.754 -1.216 . . . . 0.0 111.857 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.12 94.84 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 171.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.71 -53.43 56.17 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.844 0.858 . . . . 0.0 111.385 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.495 ' HB3' HG12 ' B' ' 111' ' ' VAL . 36.5 m-85 -55.72 -44.4 77.45 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 122.005 -0.435 . . . . 0.0 111.576 172.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -58.48 -40.23 82.19 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 176.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -63.4 -42.96 98.79 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 120.789 1.631 . . . . 0.0 113.401 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 2.8 p -70.44 -36.06 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 CA-C-N 119.555 1.07 . . . . 0.0 112.183 173.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 9.5 t -57.6 -49.16 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.287 0.949 . . . . 0.0 112.027 170.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.67 -46.81 86.39 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.797 0.839 . . . . 0.0 110.647 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.44 -54.14 25.41 Favored Glycine 0 CA--C 1.531 1.089 0 CA-C-O 119.587 -0.563 . . . . 0.0 112.922 169.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.83 -40.73 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 118.609 1.204 . . . . 0.0 112.548 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.16 -48.11 71.84 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.562 -0.711 . . . . 0.0 111.945 177.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -61.95 -36.22 80.78 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.862 0.755 . . . . 0.0 112.138 174.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.69 -43.24 84.94 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.15 0.98 . . . . 0.0 112.377 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -43.31 99.11 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.324 -0.86 . . . . 0.0 110.047 171.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.23 -4.57 5.37 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 174.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -54.48 -39.57 67.63 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.142 -1.599 . . . . 0.0 113.375 -177.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -66.87 -10.55 49.46 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -98.76 -7.16 28.05 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.609 1.164 . . . . 0.0 113.828 -168.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 . . . . . 0 C--O 1.253 1.285 0 C-N-CA 124.511 1.124 . . . . 0.0 113.749 -163.224 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 30.2 m . . . . . 0 N--CA 1.516 2.854 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 mp -142.82 -161.76 1.31 Allowed 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 125.3 1.44 . . . . 0.0 111.159 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 96.4 p -115.5 153.14 47.7 Favored Pre-proline 0 N--CA 1.482 1.131 0 CA-C-N 120.331 1.423 . . . . 0.0 112.751 -172.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.42 -35.83 22.28 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.884 1.723 . . . . 0.0 113.686 -162.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.65 -34.15 77.54 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 177.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.45 -44.26 79.1 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 118.951 0.796 . . . . 0.0 111.324 174.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -54.78 -48.0 73.25 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.635 0.652 . . . . 0.0 111.034 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 69.3 m -54.19 -47.91 71.55 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.738 0.815 . . . . 0.0 112.187 176.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -78.31 -28.44 47.4 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.89 -48.89 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.551 1.068 . . . . 0.0 110.294 167.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -58.18 -46.91 84.94 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 118.836 0.743 . . . . 0.0 111.284 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.89 -53.33 59.62 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.228 0.611 . . . . 0.0 112.163 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.67 -52.03 67.44 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.85 0.86 . . . . 0.0 112.034 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -65.85 -26.9 67.86 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.02 -40.84 97.55 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.556 1.074 . . . . 0.0 113.689 169.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 47.1 mmtt -67.85 -37.88 82.43 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 118.594 1.197 . . . . 0.0 111.595 173.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 67.2 t -67.37 -24.35 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.922 1.689 . . . . 0.0 113.679 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -38.37 122.07 1.18 Allowed Glycine 0 CA--C 1.542 1.766 0 C-N-CA 125.137 1.351 . . . . 0.0 114.034 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 84.25 -31.85 0.07 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 129.507 3.123 . . . . 0.0 114.676 -175.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -88.1 -6.36 57.95 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.524 1.13 . . . . 0.0 113.19 170.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -46.46 -52.98 12.04 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.813 1.645 . . . . 0.0 113.629 -176.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.42 -36.56 89.1 Favored Glycine 0 N--CA 1.47 0.964 0 O-C-N 121.753 -0.592 . . . . 0.0 113.947 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -57.61 -43.79 84.99 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.376 1.47 . . . . 0.0 111.754 170.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -74.06 -36.56 64.35 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.71 -1.244 . . . . 0.0 113.564 176.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.37 -49.39 69.1 Favored Glycine 0 CA--C 1.529 0.948 0 CA-C-N 119.396 0.998 . . . . 0.0 111.729 168.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.99 -50.38 73.59 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.151 0.98 . . . . 0.0 112.118 175.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -66.14 -33.58 76.09 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.136 -0.978 . . . . 0.0 112.321 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.16 -38.05 78.55 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.094 -1.004 . . . . 0.0 112.593 175.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 55.7 mt -62.69 -47.95 81.43 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.757 0.823 . . . . 0.0 111.153 169.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -58.97 -45.91 89.38 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.24 1.016 . . . . 0.0 111.519 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -51.53 -55.46 18.89 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.934 1.294 . . . . 0.0 111.793 169.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -54.38 -41.8 69.62 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.468 1.107 . . . . 0.0 112.617 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -65.38 -24.57 67.26 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 176.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -115.12 -13.3 11.83 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -173.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 88.0 p -75.79 -40.17 55.64 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.216 -0.927 . . . . 0.0 111.739 161.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -131.96 81.46 62.34 Favored Pre-proline 0 CA--C 1.542 0.666 0 C-N-CA 125.956 1.702 . . . . 0.0 110.82 -176.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -52.13 -16.06 4.21 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 124.703 3.602 . . . . 0.0 116.904 177.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 7.4 p -53.35 -44.27 68.38 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.403 1.081 . . . . 0.0 112.296 167.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 63.1 p -59.72 -27.8 66.78 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -177.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -53.59 -35.09 60.47 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 119.41 1.005 . . . . 0.0 112.034 171.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -20.8 66.48 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 178.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -18.28 65.27 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.373 -0.83 . . . . 0.0 113.066 177.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.11 79.0 10.12 Favored Pre-proline 0 CA--C 1.552 1.03 0 CA-C-N 119.4 1.0 . . . . 0.0 112.236 174.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -72.28 24.15 0.27 Allowed 'Trans proline' 0 CA--C 1.552 1.395 1 C-N-CA 125.317 4.011 . . . . 0.0 115.701 -168.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.28 -11.19 4.64 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.872 1.669 . . . . 0.0 113.033 176.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -76.94 123.6 26.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.759 0.824 . . . . 0.0 112.133 -168.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -81.9 62.94 5.92 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.088 0.955 . . . . 0.0 111.561 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 pp -65.59 22.29 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.723 2.009 . . . . 0.0 115.779 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 22.6 m -57.93 160.25 4.87 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.326 1.85 . . . . 0.0 112.836 173.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -57.76 123.93 17.39 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.129 -0.982 . . . . 0.0 110.991 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.01 7.26 66.1 Favored Glycine 0 CA--C 1.539 1.591 0 CA-C-O 119.015 -0.88 . . . . 0.0 115.157 -175.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 45.6 t -53.79 108.08 0.32 Allowed 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.091 1.445 . . . . 0.0 114.181 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.83 -32.99 64.07 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.066 0.946 . . . . 0.0 112.578 170.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -66.06 -44.29 84.96 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.108 0.563 . . . . 0.0 111.209 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.05 -35.7 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-O 118.503 -0.761 . . . . 0.0 111.483 174.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -63.45 -47.12 83.18 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 120.203 1.365 . . . . 0.0 111.895 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.94 -51.57 56.19 Favored Glycine 0 N--CA 1.471 1.03 0 C-N-CA 124.146 0.879 . . . . 0.0 112.313 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -57.89 -41.79 83.29 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.783 -0.833 . . . . 0.0 111.675 173.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.68 -51.32 49.41 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 124.627 1.108 . . . . 0.0 113.763 172.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -54.3 -43.86 71.47 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 118.674 1.237 . . . . 0.0 112.386 172.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -65.95 -48.48 71.18 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 118.918 0.781 . . . . 0.0 112.35 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 79.1 t -54.67 -47.66 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.168 0.895 . . . . 0.0 111.02 172.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -68.0 -40.51 83.0 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.09 -37.27 86.83 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.182 -0.949 . . . . 0.0 111.887 174.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 65' ' ' ALA . . . . . 0.425 ' HB2' HMA1 ' C' ' 201' ' ' HEC . . . -63.19 -35.3 79.84 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.487 -0.758 . . . . 0.0 112.842 168.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 mt -63.47 -45.28 91.53 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.207 0.912 . . . . 0.0 111.624 168.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 36.6 m -55.29 -45.78 76.21 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 120.375 1.443 . . . . 0.0 112.057 172.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -61.51 -44.08 97.72 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.945 1.298 . . . . 0.0 112.189 175.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.02 -50.33 71.18 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.552 -0.718 . . . . 0.0 111.479 170.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 85.6 t -60.14 -42.26 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.905 0.882 . . . . 0.0 111.977 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.16 -23.69 67.41 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -134.08 24.95 3.91 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.005 1.322 . . . . 0.0 112.739 -171.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 12.6 p -60.11 -25.76 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -168.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -71.9 -21.67 61.6 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 120.901 -1.125 . . . . 0.0 113.855 173.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -128.27 24.25 5.93 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 127.468 2.307 . . . . 0.0 111.86 -173.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 24.2 ttp -51.87 -36.25 28.57 Favored Pre-proline 0 CA--C 1.549 0.93 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 -171.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -69.43 46.72 0.47 Allowed 'Trans proline' 0 CA--C 1.554 1.525 0 C-N-CA 124.331 3.354 . . . . 0.0 114.517 168.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -157.98 -39.1 0.07 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.636 2.774 . . . . 0.0 109.45 168.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.19 -36.47 77.7 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 176.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 65.9 mt -100.29 9.22 43.02 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -175.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 57.1 m -58.01 -31.78 67.3 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -177.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.2 -31.51 70.22 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.74 -1.225 . . . . 0.0 112.959 171.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mt -81.33 -35.04 31.43 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.336 1.054 . . . . 0.0 111.691 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 1.1 p -59.64 -43.85 93.71 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 118.807 -0.616 . . . . 0.0 110.331 167.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.66 -49.44 75.04 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.458 1.503 . . . . 0.0 112.402 173.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 7.1 tp -47.81 -67.19 0.3 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.777 1.231 . . . . 0.0 110.585 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -27.64 68.57 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.921 0.782 . . . . 0.0 113.014 -171.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.38 -41.67 69.38 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.712 0.805 . . . . 0.0 111.829 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -73.02 -45.59 56.87 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.462 0.705 . . . . 0.0 112.617 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.6 157.5 32.07 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.224 1.41 . . . . 0.0 112.243 -178.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 41.6 mt 51.68 68.47 0.8 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.795 1.238 . . . . 0.0 113.19 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 15.7 ttm-85 -62.88 13.49 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 118.061 2.615 . . . . 0.0 118.061 -170.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 t 25.15 86.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 129.534 3.134 . . . . 0.0 115.087 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -41.6 122.21 2.26 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 123.7 0.8 . . . . 0.0 111.094 164.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -40.64 -32.1 0.76 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 124.641 3.56 . . . . 0.0 115.983 174.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 4.4 p -51.0 -41.33 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 120.232 1.378 . . . . 0.0 111.233 174.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -74.36 -28.74 61.27 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 123.702 0.801 . . . . 0.0 111.331 -177.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -57.43 -52.97 63.24 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.069 163.147 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -56.82 -45.1 82.51 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.481 1.037 . . . . 0.0 110.343 -174.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 87.0 mt -57.38 -61.06 2.75 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.17 0.988 . . . . 0.0 111.415 173.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 67.8 tp -57.91 -42.96 85.84 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.32 0.964 . . . . 0.0 112.076 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 32.9 t -56.8 -52.22 65.89 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.585 1.154 . . . . 0.0 111.451 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -59.89 -46.38 89.49 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 122.761 0.425 . . . . 0.0 111.62 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 86.6 m -60.33 -40.29 90.13 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.924 0.889 . . . . 0.0 112.483 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 41.3 mt -61.4 -52.55 64.13 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 119.543 1.065 . . . . 0.0 110.8 173.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 17.9 mt -51.72 -47.77 63.87 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.616 0.766 . . . . 0.0 111.24 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 31.5 t -57.57 -50.16 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 C-N-CA 124.291 1.036 . . . . 0.0 112.029 175.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 20.2 m -64.81 -36.94 85.95 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.183 0.901 . . . . 0.0 112.338 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 11.9 mt -64.1 -43.75 94.4 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.584 1.084 . . . . 0.0 112.01 172.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.99 -32.43 66.1 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.36 -6.31 23.66 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 115.408 1.632 . . . . 0.0 115.408 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.64 -34.48 0.83 Allowed 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 -174.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 6.9 mp -67.34 158.43 82.02 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 119.263 0.938 . . . . 0.0 112.696 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.73 -32.95 78.49 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 124.042 3.161 . . . . 0.0 115.402 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -148.13 -53.4 0.19 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.552 1.141 . . . . 0.0 112.153 175.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 65.54 -31.99 0.15 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.235 2.214 . . . . 0.0 114.304 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -75.04 -5.34 43.57 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.964 1.706 . . . . 0.0 115.471 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.67 156.75 6.02 Favored Pre-proline 0 N--CA 1.481 1.081 0 C-N-CA 123.724 0.81 . . . . 0.0 111.025 -176.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.36 -46.19 22.73 Favored 'Trans proline' 0 CA--C 1.528 0.21 0 C-N-CA 121.307 1.338 . . . . 0.0 113.43 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.92 -12.16 60.29 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -178.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 55.1 t -104.42 -46.53 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 119.662 1.119 . . . . 0.0 111.844 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 122' ' ' HIS . . . . . 0.576 ' CD2' HH21 ' D' ' 30' ' ' ARG . 4.0 t-80 -72.02 -40.44 68.44 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 121.276 1.853 . . . . 0.0 113.303 -175.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.94 -54.22 49.42 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 119.504 1.047 . . . . 0.0 110.166 166.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 13.4 t -49.81 -57.62 7.0 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.027 1.331 . . . . 0.0 113.418 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.57 -39.23 81.09 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.747 -0.644 . . . . 0.0 111.391 -176.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.44 -53.88 48.29 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.638 1.108 . . . . 0.0 112.109 176.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -33.33 75.57 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 119.282 -0.389 . . . . 0.0 111.35 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -62.76 -53.7 50.38 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 119.06 0.846 . . . . 0.0 111.58 173.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 34.3 mt -60.72 -36.58 79.2 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.452 1.023 . . . . 0.0 112.188 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.36 -31.84 72.55 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 171.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 59.5 m -77.36 -37.03 53.07 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.509 -1.37 . . . . 0.0 112.932 171.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 74.4 t -55.95 -51.59 59.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 119.172 0.896 . . . . 0.0 109.602 171.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 87.0 p -64.78 -40.51 95.37 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 176.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 1.3 m -49.07 -50.74 35.25 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.522 1.056 . . . . 0.0 111.233 169.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.01 -40.83 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.028 -1.045 . . . . 0.0 111.18 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.3 -24.35 67.26 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 179.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 4.2 t -101.99 -17.29 16.17 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.724 1.21 . . . . 0.0 113.027 178.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 10.8 t -63.12 172.62 1.74 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.554 1.142 . . . . 0.0 112.399 165.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -125.84 127.23 45.76 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.252 1.421 . . . . 0.0 110.43 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -149.96 101.41 3.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.242 1.417 . . . . 0.0 109.884 -176.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 . . . . . 0 C--O 1.256 1.421 0 C-N-CA 127.398 2.279 . . . . 0.0 114.42 -175.753 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.301 2.4 p . . . . . 0 N--CA 1.508 2.461 0 CA-C-O 116.83 -1.557 . . . . 0.0 113.318 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 63.7 t60 13.19 85.42 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 128.21 2.604 . . . . 0.0 116.138 -176.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.45 157.13 17.62 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.219 0.607 . . . . 0.0 110.881 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 8.2 p -64.33 154.92 82.06 Favored Pre-proline 0 N--CA 1.48 1.071 0 CA-C-O 118.812 -0.613 . . . . 0.0 109.473 165.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -54.54 -39.12 89.72 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.327 2.018 . . . . 0.0 113.721 174.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -67.16 -46.0 75.31 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.544 0.738 . . . . 0.0 111.87 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.06 -38.76 79.26 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.404 -0.808 . . . . 0.0 111.848 178.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -54.44 -51.47 64.86 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.755 1.161 . . . . 0.0 110.651 168.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 22.6 t -55.01 -45.8 75.15 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.722 0.692 . . . . 0.0 111.235 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.61 -52.48 64.7 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.283 1.033 . . . . 0.0 113.117 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.47 -56.15 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 CA-C-N 119.658 1.117 . . . . 0.0 112.155 176.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 4.3 m -67.33 -33.94 76.31 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.58 1.082 . . . . 0.0 112.811 -168.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.4 78.87 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.451 1.023 . . . . 0.0 112.412 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.53 -39.59 88.68 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.153 -0.967 . . . . 0.0 110.829 172.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' TRP . . . . . 0.418 ' HE1' ' HB3' ' D' ' 72' ' ' SER . 0.3 OUTLIER -64.36 -6.53 7.27 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 167.54 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.77 -40.05 8.41 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.173 1.368 . . . . 0.0 113.447 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.17 -10.27 39.39 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 175.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 p -53.22 139.08 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 124.644 1.178 . . . . 0.0 113.051 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -88.34 93.35 9.49 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 121.41 -0.806 . . . . 0.0 108.859 169.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . 0.543 HG13 HD22 ' D' ' 68' ' ' LEU . 50.2 t -52.73 -39.13 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 124.496 1.119 . . . . 0.0 113.249 -174.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -72.22 -29.69 64.2 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -98.92 -42.35 7.18 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.015 0.825 . . . . 0.0 112.18 -178.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.5 -31.47 53.72 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.55 0 CA-C-N 119.573 1.079 . . . . 0.0 111.203 168.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.07 -49.1 56.14 Favored Glycine 0 N--CA 1.468 0.807 0 CA-C-N 120.077 1.308 . . . . 0.0 111.551 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.93 -47.88 88.81 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 117.248 0.524 . . . . 0.0 112.781 174.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -67.6 -35.49 79.06 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 117.411 -1.28 . . . . 0.0 112.531 175.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.17 -56.25 18.29 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 121.939 2.154 . . . . 0.0 110.744 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -68.72 -36.94 79.08 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.762 -0.587 . . . . 0.0 111.464 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.403 ' O ' HG13 ' D' ' 33' ' ' VAL . . . -60.74 -51.41 58.84 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-N 118.945 0.793 . . . . 0.0 112.404 170.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' ARG . . . . . 0.576 HH21 ' CD2' ' C' ' 122' ' ' HIS . 31.3 ttt180 -56.16 -23.2 33.36 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.774 1.629 . . . . 0.0 113.743 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . 0.459 ' HA ' HG21 ' D' ' 109' ' ' VAL . 48.0 tp -65.09 -57.81 7.67 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.678 1.126 . . . . 0.0 110.22 167.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.09 -31.35 71.77 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.503 -0.748 . . . . 0.0 112.072 -175.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' D' ' 30' ' ' ARG . 2.2 m -66.2 -7.82 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 176.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 t -79.01 -2.54 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 CA-C-N 120.828 1.649 . . . . 0.0 112.637 171.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 56.19 41.64 0.83 Allowed Pre-proline 0 CA--C 1.564 1.496 0 O-C-N 120.923 -1.111 . . . . 0.0 113.264 -165.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -76.45 162.51 33.32 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 123.412 2.741 . . . . 0.0 113.199 -170.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 5.8 p90 -60.24 -25.35 65.59 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 168.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 41.5 p -55.85 -28.64 57.41 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.85 0.86 . . . . 0.0 113.058 172.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -58.33 -21.45 49.54 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.543 1.537 . . . . 0.0 113.284 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -27.73 17.97 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 120.196 1.362 . . . . 0.0 113.333 173.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.12 13.01 36.53 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.758 1.223 . . . . 0.0 114.201 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -8.73 28.03 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 176.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -49.66 -27.31 4.54 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.937 1.295 . . . . 0.0 114.387 179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 51.0 p -96.15 -24.49 16.25 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.236 1.414 . . . . 0.0 114.322 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.54 -40.14 92.56 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.227 1.411 . . . . 0.0 112.013 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.06 -175.53 35.22 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.03 0.824 . . . . 0.0 114.903 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 43.58 -110.57 0.17 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.58 1.952 . . . . 0.0 112.025 -166.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 6.6 tt 60.36 -17.4 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 128.082 2.553 . . . . 0.0 117.564 174.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 13.9 t -49.33 -28.51 4.97 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.289 1.836 . . . . 0.0 113.646 177.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 81.1 p -125.45 150.73 68.63 Favored Pre-proline 0 N--CA 1.471 0.578 0 C-N-CA 123.216 0.606 . . . . 0.0 110.482 149.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -66.08 -26.05 50.69 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.601 2.201 . . . . 0.0 113.655 173.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.68 -38.84 75.86 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 120.732 -1.23 . . . . 0.0 111.372 167.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.59 -38.35 77.31 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 118.335 -0.84 . . . . 0.0 112.63 170.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -41.47 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 CA-C-N 121.178 1.808 . . . . 0.0 113.034 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 25.3 ptp -77.75 -18.43 56.5 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -96.23 -23.35 17.23 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 124.399 1.0 . . . . 0.0 114.724 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -52.54 117.17 10.11 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 126.572 1.949 . . . . 0.0 112.0 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -47.63 -40.54 30.62 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.995 3.13 . . . . 0.0 114.603 175.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -65.02 -41.89 94.91 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.443 0.697 . . . . 0.0 111.842 176.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 85.7 t -68.97 -34.57 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 119.616 1.098 . . . . 0.0 111.904 175.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -64.38 -45.66 86.73 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 120.237 1.38 . . . . 0.0 111.659 170.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.42 -49.97 74.7 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.176 0.99 . . . . 0.0 112.794 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -33.11 74.85 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 120.627 -1.295 . . . . 0.0 113.12 173.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.32 -53.11 42.98 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 124.264 0.935 . . . . 0.0 111.853 167.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.47 -40.45 74.91 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 118.028 0.914 . . . . 0.0 112.471 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -67.19 -54.86 17.21 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.242 1.017 . . . . 0.0 113.437 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 17.3 m -58.91 -36.93 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 120.371 1.442 . . . . 0.0 111.605 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . 0.543 HD22 HG13 ' D' ' 20' ' ' VAL . 7.0 tt -65.96 -41.28 91.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.345 1.058 . . . . 0.0 111.883 173.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.09 -37.2 78.36 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.149 1.357 . . . . 0.0 113.355 176.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.67 93.56 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.675 -0.897 . . . . 0.0 112.207 170.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -59.62 -43.28 93.85 Favored 'General case' 0 CA--C 1.55 0.954 0 O-C-N 120.791 -1.193 . . . . 0.0 112.533 173.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 72' ' ' SER . . . . . 0.418 ' HB3' ' HE1' ' D' ' 15' ' ' TRP . 93.5 p -68.86 -40.54 79.28 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.848 1.204 . . . . 0.0 112.843 177.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -56.95 -34.96 68.55 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.891 0.768 . . . . 0.0 111.578 167.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.61 -60.61 8.37 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 124.692 1.139 . . . . 0.0 112.259 169.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.0 -29.92 69.98 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.115 1.457 . . . . 0.0 113.931 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.0 -27.51 64.76 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 172.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -143.66 49.27 1.4 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.608 1.563 . . . . 0.0 112.731 -170.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 90.6 mt -59.06 -20.78 56.48 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 120.868 -1.145 . . . . 0.0 113.635 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -66.14 -24.35 66.65 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.121 1.368 . . . . 0.0 114.26 173.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -87.92 -73.37 0.49 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.863 0.756 . . . . 0.0 111.779 -173.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 50.91 22.16 1.12 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 175.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -147.3 -61.08 0.28 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 126.254 1.822 . . . . 0.0 110.483 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.57 -30.32 60.28 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.431 1.015 . . . . 0.0 114.273 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.73 -28.66 66.05 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.331 1.452 . . . . 0.0 113.524 173.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -122.72 12.15 9.85 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.458 1.103 . . . . 0.0 113.444 -174.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.21 -30.24 66.32 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 21.0 p -71.17 -39.66 71.73 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.161 0.984 . . . . 0.0 112.454 170.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 16.9 mt -74.27 -40.0 62.61 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.714 1.206 . . . . 0.0 111.637 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 98.4 p -59.42 -52.77 64.18 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 123.347 0.659 . . . . 0.0 109.381 173.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -56.63 -45.52 81.49 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.913 0.885 . . . . 0.0 113.359 174.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 34.6 tp -56.44 -64.13 0.97 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 121.261 -0.9 . . . . 0.0 111.53 177.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -72.31 -19.69 61.62 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 118.091 -0.957 . . . . 0.0 112.622 -174.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 1.3 p -88.09 -27.61 21.85 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 120.593 1.542 . . . . 0.0 114.429 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -114.96 -30.62 6.34 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.689 1.131 . . . . 0.0 112.786 -172.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -27.33 35.24 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.339 0.656 . . . . 0.0 112.58 170.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 6.2 mt -129.45 -36.19 1.69 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.519 1.128 . . . . 0.0 113.898 -173.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 49.17 25.67 1.25 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.124 2.17 . . . . 0.0 115.852 -171.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 2.8 m -59.01 143.18 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.36 1.064 . . . . 0.0 113.266 -177.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.77 141.66 97.82 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 125.777 1.631 . . . . 0.0 114.564 -169.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -51.38 -35.39 54.16 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 124.243 3.296 . . . . 0.0 117.86 -177.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -58.43 -27.08 64.01 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 120.572 -1.33 . . . . 0.0 112.998 176.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -61.09 -37.75 83.82 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.716 0.806 . . . . 0.0 111.766 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -67.08 -47.24 71.85 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.682 0.793 . . . . 0.0 110.192 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 60.6 mtm-85 -56.85 -46.52 81.69 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 118.618 -0.706 . . . . 0.0 110.868 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 mt -54.41 -50.82 66.7 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.729 0.811 . . . . 0.0 112.953 176.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 tt -58.14 -41.56 83.96 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.4 0.68 . . . . 0.0 111.151 174.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -60.72 -48.87 84.08 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 121.058 -1.026 . . . . 0.0 114.773 174.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -58.99 -43.66 91.48 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.307 -1.113 . . . . 0.0 110.441 174.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 109' ' ' VAL . . . . . 0.459 HG21 ' HA ' ' D' ' 31' ' ' LEU . 10.0 t -57.89 -47.92 85.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 124.154 0.982 . . . . 0.0 112.341 174.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 35.7 tp -56.1 -52.5 64.09 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 118.899 0.772 . . . . 0.0 110.981 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 111' ' ' VAL . . . . . 0.488 HG12 ' HB3' ' D' ' 130' ' ' TYR . 5.8 m -64.57 -29.79 48.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 O-C-N 121.484 -0.76 . . . . 0.0 111.501 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.97 -35.51 64.49 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.232 -0.918 . . . . 0.0 112.933 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.78 -36.86 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 119.733 -1.855 . . . . 0.0 111.248 169.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.56 -37.08 85.96 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.581 0.628 . . . . 0.0 110.818 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.61 -35.1 75.31 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 170.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -66.09 -59.65 3.58 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.025 0.829 . . . . 0.0 111.787 170.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -68.31 -28.27 67.03 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -171.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -128.9 22.74 5.76 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.231 1.012 . . . . 0.0 113.053 -170.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -43.68 -37.0 3.68 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 125.661 1.601 . . . . 0.0 116.556 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -60.82 -24.18 65.66 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.602 1.561 . . . . 0.0 114.33 175.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -122.32 -8.71 8.65 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.418 2.287 . . . . 0.0 112.593 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -80.53 69.74 7.08 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.491 1.517 . . . . 0.0 112.282 -173.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 32.7 p -63.46 160.34 43.38 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 124.343 1.057 . . . . 0.0 112.973 -175.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -47.49 -52.75 7.47 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 123.018 2.478 . . . . 0.0 115.049 167.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.45 -26.84 70.48 Favored 'Trans proline' 0 C--N 1.355 0.887 0 CA-C-N 121.573 1.598 . . . . 0.0 113.712 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.48 -50.24 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 120.496 1.498 . . . . 0.0 110.919 171.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.87 -36.21 83.62 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.208 -0.932 . . . . 0.0 112.082 -178.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.76 92.54 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 171.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -61.68 -53.54 54.79 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.068 0.947 . . . . 0.0 111.402 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 130' ' ' TYR . . . . . 0.488 ' HB3' HG12 ' D' ' 111' ' ' VAL . 37.1 m-85 -55.88 -44.4 78.09 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 122.07 -0.394 . . . . 0.0 111.627 173.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -58.22 -40.38 81.49 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.797 -1.189 . . . . 0.0 113.845 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -63.45 -43.08 98.42 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 120.803 1.638 . . . . 0.0 113.307 176.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 2.9 p -70.42 -35.84 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 CA-C-N 119.607 1.094 . . . . 0.0 112.277 174.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 8.8 t -57.89 -49.07 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.284 0.947 . . . . 0.0 111.882 170.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.69 -46.59 86.93 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.697 0.799 . . . . 0.0 110.732 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.7 -54.06 26.58 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.555 -0.581 . . . . 0.0 112.89 169.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -40.69 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 118.586 1.193 . . . . 0.0 112.469 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.1 -48.01 72.32 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.482 -0.761 . . . . 0.0 112.037 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -62.05 -36.17 80.83 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.853 0.752 . . . . 0.0 112.047 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.18 85.0 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.158 0.983 . . . . 0.0 112.417 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -43.5 98.74 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.406 -0.808 . . . . 0.0 110.152 171.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.13 -4.48 5.0 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 174.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -54.76 -39.39 68.31 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.133 -1.604 . . . . 0.0 113.45 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -67.1 -10.28 48.43 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -98.8 -7.06 28.09 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.685 1.194 . . . . 0.0 113.907 -168.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 . . . . . 0 C--O 1.254 1.326 0 C-N-CA 124.65 1.18 . . . . 0.0 113.822 -163.182 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.406 HMA1 ' HB2' ' A' ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 201' ' ' HEC . . . . . 0.641 HBD1 HMD1 ' B' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 201' ' ' HEC . . . . . 0.425 HMA1 ' HB2' ' C' ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 201' ' ' HEC . . . . . 0.625 HMD1 HBD1 ' D' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.509 2.523 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.7 mt -147.28 179.64 7.5 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 119.848 -1.783 . . . . 0.0 112.384 -173.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -105.91 167.86 9.06 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 127.192 2.197 . . . . 0.0 109.745 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -76.66 -41.37 0.43 Allowed 'Trans proline' 0 CA--C 1.54 0.792 0 CA-C-N 121.401 1.536 . . . . 0.0 113.033 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.73 -35.65 77.39 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -35.78 77.5 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.551 -0.718 . . . . 0.0 112.379 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -56.83 -49.61 74.89 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.828 1.251 . . . . 0.0 109.813 173.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.5 m -58.04 -49.82 75.56 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.945 0.898 . . . . 0.0 111.939 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -65.16 -39.66 93.27 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.818 0.735 . . . . 0.0 112.325 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.1 t -62.02 -47.65 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 124.307 1.043 . . . . 0.0 111.64 173.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -59.93 -45.41 92.7 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.353 0.979 . . . . 0.0 111.295 175.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.48 -52.19 66.67 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.212 0.605 . . . . 0.0 111.281 176.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.77 -54.44 46.31 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.787 0.835 . . . . 0.0 112.15 176.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -62.83 -27.89 69.64 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.534 -0.728 . . . . 0.0 112.798 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.29 -44.0 98.29 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.762 1.172 . . . . 0.0 113.488 171.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -71.85 -35.62 69.9 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 118.615 1.207 . . . . 0.0 111.408 174.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.5 t -59.04 -44.4 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.057 0.943 . . . . 0.0 111.273 174.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.64 -135.94 5.03 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.635 1.588 . . . . 0.0 115.423 169.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.08 -22.58 61.0 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 178.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -71.99 -12.08 61.07 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.621 1.169 . . . . 0.0 113.392 178.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.5 -45.82 26.73 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.748 1.219 . . . . 0.0 114.162 -175.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.59 -34.54 90.23 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 119.716 -0.491 . . . . 0.0 113.587 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -66.98 -46.01 75.89 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.911 0.884 . . . . 0.0 110.153 174.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -65.25 -35.81 82.18 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.748 -0.595 . . . . 0.0 111.517 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.23 -47.89 75.7 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 124.029 0.823 . . . . 0.0 112.627 170.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.8 -46.68 81.43 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.275 1.037 . . . . 0.0 111.77 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -64.68 -38.32 90.6 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 121.448 -0.783 . . . . 0.0 112.321 174.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.442 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -65.65 -40.05 92.04 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.434 -0.791 . . . . 0.0 112.262 177.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.7 -42.74 97.92 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.967 1.307 . . . . 0.0 111.626 171.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.82 -45.79 89.15 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.645 0.778 . . . . 0.0 111.981 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -36.12 81.5 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.058 -1.026 . . . . 0.0 112.635 173.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -61.72 -42.47 99.0 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.166 0.893 . . . . 0.0 111.226 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -62.54 1.69 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.837 0.855 . . . . 0.0 111.283 167.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.33 -34.74 61.23 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 119.739 -0.784 . . . . 0.0 113.034 -157.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -70.5 -20.14 62.87 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.0 68.72 11.63 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.446 1.098 . . . . 0.0 110.532 -166.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -54.29 -21.62 23.58 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 123.834 3.023 . . . . 0.0 116.095 -174.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.4 p -52.21 -26.61 12.09 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.648 1.579 . . . . 0.0 114.502 166.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.9 p -64.01 -37.47 87.54 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.87 -1.144 . . . . 0.0 113.235 170.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' HA ' ' HE3' ' A' ' 40' ' ' LYS . 0.4 OUTLIER -68.43 -32.41 72.42 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -165.103 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.0 t -58.78 -25.57 63.2 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 175.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -67.52 -23.7 65.48 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.682 -1.261 . . . . 0.0 113.446 172.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -150.28 77.75 8.09 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 124.488 1.115 . . . . 0.0 112.507 178.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.96 -148.25 0.02 OUTLIER 'Trans proline' 0 CA--C 1.549 1.262 0 C-N-CA 123.872 3.048 . . . . 0.0 110.066 166.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.29 0.7 OUTLIER 57.52 12.41 1.51 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 126.44 1.896 . . . . 0.0 116.064 -175.651 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -105.39 133.82 49.52 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.344 1.857 . . . . 0.0 110.678 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -99.79 80.35 2.33 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.51 1.524 . . . . 0.0 111.567 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.7 mt -74.67 36.22 0.1 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.409 1.483 . . . . 0.0 114.498 -174.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -74.21 40.74 0.13 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.679 1.992 . . . . 0.0 113.299 176.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 55.52 151.49 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 130.827 3.651 . . . . 0.0 116.615 -164.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 46.39 37.91 8.73 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 126.177 1.846 . . . . 0.0 116.428 173.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 p -68.97 151.7 46.19 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -163.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.03 -18.74 59.43 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.598 1.159 . . . . 0.0 113.746 173.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -90.59 -45.19 9.06 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.483 1.113 . . . . 0.0 111.394 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.3 t -68.55 -36.49 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 O-C-N 121.246 -0.909 . . . . 0.0 111.742 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.31 -45.79 90.34 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.629 1.104 . . . . 0.0 112.213 173.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.56 -51.1 38.62 Favored Glycine 0 N--CA 1.47 0.929 0 C-N-CA 123.971 0.796 . . . . 0.0 111.902 -178.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -54.3 -42.65 70.33 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.505 0.722 . . . . 0.0 111.366 171.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.06 -51.94 46.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 121.104 -0.997 . . . . 0.0 114.122 170.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -59.01 -37.8 77.74 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 118.813 1.306 . . . . 0.0 112.454 176.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.5 -49.46 59.56 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 118.449 -0.786 . . . . 0.0 112.687 175.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 83.7 t -55.1 -44.74 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-N 119.983 1.265 . . . . 0.0 110.638 173.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.95 -51.59 69.38 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 174.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -59.25 -38.69 80.65 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.923 0.783 . . . . 0.0 112.287 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.518 ' HB2' HMA1 ' A' ' 201' ' ' HEC . . . -63.67 -37.79 88.66 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 171.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.75 -42.96 97.76 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 119.08 -0.486 . . . . 0.0 111.356 171.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.7 m -58.91 -45.2 90.87 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.61 1.096 . . . . 0.0 111.921 171.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -59.78 -42.96 94.5 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.486 1.114 . . . . 0.0 111.896 174.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.29 -50.57 73.14 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.64 -0.663 . . . . 0.0 111.598 170.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.0 t -55.54 -39.79 55.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 119.513 1.051 . . . . 0.0 112.185 175.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.36 -23.46 65.6 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -144.48 41.25 1.34 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.087 1.355 . . . . 0.0 111.729 -173.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 p -64.43 -12.39 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 -161.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.56 -7.0 20.03 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 169.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -114.29 -2.72 13.25 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.191 1.797 . . . . 0.0 112.553 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.411 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 23.4 ptt? -56.19 -20.47 0.54 Allowed Pre-proline 0 CA--C 1.544 0.748 0 N-CA-C 118.071 2.619 . . . . 0.0 118.071 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.88 -37.58 29.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 CA-C-N 123.968 2.453 . . . . 0.0 114.089 165.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -88.84 -41.18 12.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.729 0.812 . . . . 0.0 112.533 175.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 76' ' ' MET . . . -67.78 -11.46 58.51 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -177.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.2 mt -110.89 7.44 21.8 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.317 1.447 . . . . 0.0 113.219 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.5 m -53.36 -36.85 61.82 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.828 1.195 . . . . 0.0 114.114 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.53 -28.03 65.07 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 174.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.9 mt -86.54 -35.77 19.33 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.329 1.051 . . . . 0.0 111.092 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.9 m -63.28 -34.36 77.51 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 117.99 -1.005 . . . . 0.0 112.032 165.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.23 -51.08 69.2 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.368 1.44 . . . . 0.0 112.198 167.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 tp -49.1 -45.06 42.75 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.963 0.802 . . . . 0.0 111.881 173.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -70.26 -70.17 0.31 Allowed 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.535 -0.728 . . . . 0.0 110.832 175.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.05 -14.81 26.2 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -171.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -130.61 10.23 5.14 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.455 1.502 . . . . 0.0 113.299 -171.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -138.74 -50.57 0.54 Allowed 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 174.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.03 -12.41 2.19 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 44.46 33.91 0.98 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 128.206 2.602 . . . . 0.0 115.869 177.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.9 t -56.94 135.43 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -165.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -45.39 121.24 5.02 Favored Pre-proline 0 CA--C 1.55 0.96 0 C-N-CA 126.234 1.814 . . . . 0.0 112.519 174.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -46.54 -18.48 0.5 Allowed 'Trans proline' 0 C--N 1.352 0.749 1 C-N-CA 125.409 4.073 . . . . 0.0 117.046 176.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.7 p -51.44 -39.53 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 120.442 1.474 . . . . 0.0 111.854 168.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -57.8 -37.41 73.71 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.741 1.616 . . . . 0.0 112.589 174.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -63.22 -52.58 61.65 Favored 'General case' 0 C--N 1.345 0.4 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.456 172.277 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -54.2 -44.04 71.27 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 119.336 0.971 . . . . 0.0 110.75 -172.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.0 mt -55.19 -64.37 0.86 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.442 1.097 . . . . 0.0 110.576 174.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -35.47 73.39 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -177.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.9 t -60.62 -51.77 67.99 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.278 1.031 . . . . 0.0 111.865 174.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -59.69 -39.55 84.94 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 121.876 -0.515 . . . . 0.0 111.041 174.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 56.0 m -59.24 -46.96 87.1 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 118.731 -0.652 . . . . 0.0 111.84 174.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.5 mt -60.83 -49.69 76.46 Favored 'General case' 0 N--CA 1.461 0.117 0 C-N-CA 123.659 0.784 . . . . 0.0 111.795 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.7 mt -51.15 -39.52 56.53 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.886 0.475 . . . . 0.0 111.78 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 37.1 t -68.38 -51.84 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 118.285 -0.864 . . . . 0.0 113.034 170.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 45.5 p -64.82 -36.43 84.32 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 120.488 1.495 . . . . 0.0 112.916 -172.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.98 -48.17 80.79 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.225 1.375 . . . . 0.0 109.979 170.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.4 ' CB ' ' CE1' ' B' ' 116' ' ' HIS . . . -71.04 -20.35 62.39 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -172.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.52 -13.3 20.07 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 170.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -132.1 -13.3 3.16 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -173.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.0 mp -98.37 154.96 37.37 Favored Pre-proline 0 CA--C 1.554 1.106 0 C-N-CA 124.915 1.286 . . . . 0.0 110.467 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -56.91 -33.71 95.62 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 123.503 2.802 . . . . 0.0 115.724 -171.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.3 -45.79 0.17 Allowed 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 117.826 -1.083 . . . . 0.0 113.919 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 58.48 -9.28 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 116.566 2.062 . . . . 0.0 116.566 -175.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -119.24 6.63 11.21 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.0 p -47.33 150.05 1.69 Allowed Pre-proline 0 N--CA 1.473 0.687 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 175.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -52.21 -31.78 47.46 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 CA-C-N 120.263 1.13 . . . . 0.0 114.817 -172.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.33 -47.47 27.6 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 168.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.89 -43.17 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 120.591 -1.318 . . . . 0.0 113.413 -174.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.63 -39.72 88.43 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 122.219 2.282 . . . . 0.0 111.638 176.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.01 -58.39 8.09 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 122.822 0.449 . . . . 0.0 110.263 174.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 61.5 p -62.03 -51.95 65.94 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -177.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.71 -39.5 91.28 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.592 1.087 . . . . 0.0 112.049 -177.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -67.14 -50.51 61.02 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 120.033 1.288 . . . . 0.0 111.928 175.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -26.13 66.75 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.689 0.677 . . . . 0.0 112.748 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -68.53 -51.3 44.49 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.626 1.17 . . . . 0.0 112.071 168.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -58.27 -33.82 69.83 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.679 -1.263 . . . . 0.0 112.022 173.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.41 -35.09 68.29 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 172.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.3 p -70.06 -43.15 71.79 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 120.025 -1.672 . . . . 0.0 110.885 171.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 53.2 t -53.44 -51.98 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.44 1.496 . . . . 0.0 111.137 170.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 86.2 p -64.55 -40.01 94.8 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 119.364 0.984 . . . . 0.0 113.012 178.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.0 m -52.01 -55.77 18.45 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 118.896 0.771 . . . . 0.0 110.228 170.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 31.0 m -69.66 -27.54 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -176.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.45 -12.61 59.98 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 119.157 0.889 . . . . 0.0 112.907 171.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 98.8 m -96.44 -28.47 14.42 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.378 1.471 . . . . 0.0 111.807 171.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 59.1 m -54.37 136.95 43.08 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.882 1.273 . . . . 0.0 112.48 170.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -75.21 106.16 6.59 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.782 0.833 . . . . 0.0 110.29 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -145.37 152.43 39.85 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.344 1.458 . . . . 0.0 111.438 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 127.188 2.195 . . . . 0.0 111.025 -176.228 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.33 2.2 p . . . . . 0 N--CA 1.514 2.763 0 CA-C-O 117.04 -1.457 . . . . 0.0 113.282 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 75.9 t60 14.22 84.05 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 128.213 2.605 . . . . 0.0 116.268 -172.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.11 161.22 8.93 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.597 0.759 . . . . 0.0 111.25 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 2.4 p -65.04 155.51 83.69 Favored Pre-proline 0 N--CA 1.48 1.039 0 O-C-N 121.688 -0.632 . . . . 0.0 109.558 163.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -55.89 -41.08 80.83 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 122.467 2.111 . . . . 0.0 113.752 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -68.33 -42.38 79.39 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.161 0.584 . . . . 0.0 111.572 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.49 -43.46 97.18 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.328 0.651 . . . . 0.0 111.212 175.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -54.77 -53.15 58.84 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.577 0.751 . . . . 0.0 111.25 172.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m -55.62 -41.83 74.04 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.268 0.94 . . . . 0.0 111.943 176.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.48 -41.53 98.57 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.5 p -69.69 -56.56 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 120.221 1.373 . . . . 0.0 111.424 171.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.1 m -67.72 -36.14 80.06 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.243 0.929 . . . . 0.0 113.244 -168.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.67 88.38 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 120.191 1.359 . . . . 0.0 112.294 175.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 tt -72.78 -28.17 62.44 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.66 -0.65 . . . . 0.0 111.417 173.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -63.87 -41.1 97.84 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.402 -0.811 . . . . 0.0 111.26 166.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.67 -27.86 50.33 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 125.446 1.498 . . . . 0.0 115.51 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -100.24 -5.73 27.12 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.696 1.198 . . . . 0.0 113.973 174.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.408 HG22 HG11 ' B' ' 23' ' ' VAL . 0.4 OUTLIER -65.22 138.74 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.495 1.118 . . . . 0.0 111.862 -174.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -88.93 67.04 8.1 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.245 1.018 . . . . 0.0 111.337 -175.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 48.8 t -39.7 -45.08 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 126.171 1.789 . . . . 0.0 115.585 -164.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.15 -57.24 11.21 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.047 0.939 . . . . 0.0 112.547 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -70.07 -52.33 24.76 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.189 0.996 . . . . 0.0 111.068 -175.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.408 HG11 HG22 ' B' ' 18' ' ' VAL . 0.8 OUTLIER -66.08 -29.21 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 125.841 1.656 . . . . 0.0 112.491 -179.474 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.05 -40.26 10.62 Favored Glycine 0 C--N 1.34 0.799 0 C-N-CA 124.295 0.95 . . . . 0.0 112.337 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.75 -41.44 99.06 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-N 118.198 0.999 . . . . 0.0 111.917 167.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -64.59 -41.17 96.43 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.191 -0.909 . . . . 0.0 112.865 171.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.59 -57.49 12.72 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 120.506 1.503 . . . . 0.0 111.335 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.3 tp -65.84 -39.97 91.32 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.353 -0.842 . . . . 0.0 112.39 -177.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.36 -47.17 87.29 Favored Glycine 0 N--CA 1.469 0.865 0 CA-C-N 119.019 0.827 . . . . 0.0 112.425 177.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.31 -37.5 55.93 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.982 1.313 . . . . 0.0 112.829 172.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.21 -48.89 23.93 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 123.49 0.716 . . . . 0.0 111.002 176.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.551 HD21 ' CE2' ' B' ' 45' ' ' PHE . 1.4 mm? -75.68 -30.9 59.53 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.2 -0.937 . . . . 0.0 112.404 -179.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 1.1 m -70.73 -12.09 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -0.79 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 CA-C-N 120.462 1.483 . . . . 0.0 113.617 170.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 12.3 t80 45.66 47.19 3.75 Favored Pre-proline 0 CA--C 1.562 1.412 0 C-N-CA 125.62 1.568 . . . . 0.0 114.325 -166.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -81.82 170.0 14.45 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.074 2.516 . . . . 0.0 114.228 -171.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 4.9 p90 -57.61 -28.81 63.98 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 169.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -60.95 -22.06 64.06 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.529 1.532 . . . . 0.0 113.856 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -57.74 -24.16 55.62 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.605 1.093 . . . . 0.0 112.889 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.01 -33.83 8.51 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.738 1.215 . . . . 0.0 113.43 171.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -92.79 11.56 26.57 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.459 1.504 . . . . 0.0 113.7 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -60.54 -15.87 31.81 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 178.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -50.52 -17.08 0.44 Allowed 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.803 1.409 . . . . 0.0 114.803 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 53.2 m -96.69 10.0 39.97 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.76 1.624 . . . . 0.0 114.707 174.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.551 ' CE2' HD21 ' B' ' 32' ' ' LEU . 19.8 m-85 -110.68 -20.29 12.57 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 120.257 -1.527 . . . . 0.0 114.607 -172.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.43 -7.64 17.39 Favored Glycine 0 CA--C 1.54 1.63 0 N-CA-C 117.318 1.687 . . . . 0.0 117.318 170.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -151.39 -130.21 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 119.419 1.61 . . . . 0.0 111.538 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 65.5 8.25 4.93 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.043 2.137 . . . . 0.0 115.539 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 88.2 p -58.19 -16.88 15.26 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 61.5 p -129.79 158.92 72.24 Favored Pre-proline 0 N--CA 1.469 0.501 0 C-N-CA 125.022 1.329 . . . . 0.0 110.327 154.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.15 -42.77 62.95 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 122.655 2.237 . . . . 0.0 114.157 172.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -59.21 -36.86 76.15 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.351 -0.843 . . . . 0.0 111.972 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.56 -36.67 84.96 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 176.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.68 -40.17 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 120.704 1.593 . . . . 0.0 112.628 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 5.1 ttm -80.46 -17.04 52.88 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -175.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -103.13 -22.87 8.89 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.191 1.377 . . . . 0.0 115.069 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -54.15 120.33 24.54 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 125.233 1.413 . . . . 0.0 111.882 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -61.28 -29.57 86.48 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.416 2.077 . . . . 0.0 113.14 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -63.3 -38.68 92.1 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.769 1.168 . . . . 0.0 112.176 171.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 71.4 t -69.72 -34.58 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-N 119.547 1.067 . . . . 0.0 111.736 174.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -66.89 -50.11 63.47 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 120.121 1.328 . . . . 0.0 111.798 173.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.31 -49.15 78.74 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.509 1.124 . . . . 0.0 112.452 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -67.32 -33.01 74.38 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.928 -1.108 . . . . 0.0 111.94 176.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.25 -48.15 76.87 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 126.427 1.965 . . . . 0.0 113.361 168.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -56.95 -44.39 82.5 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 117.759 0.78 . . . . 0.0 111.037 169.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -61.95 -50.44 72.11 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.706 0.802 . . . . 0.0 112.786 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.09 -45.44 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-N 119.859 1.208 . . . . 0.0 112.363 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.79 -33.65 68.76 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.239 -0.913 . . . . 0.0 112.176 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.97 -34.79 77.46 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.278 1.418 . . . . 0.0 113.234 174.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.53 -51.0 71.73 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.717 1.258 . . . . 0.0 110.565 165.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -54.07 -38.86 65.75 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.959 -1.088 . . . . 0.0 113.637 173.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.3 p -65.42 -36.31 83.56 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.839 -1.163 . . . . 0.0 113.426 173.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -27.15 68.12 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.405 -0.809 . . . . 0.0 112.245 169.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.74 -63.16 5.53 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 166.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 mt -53.72 -33.89 57.05 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.51 -24.58 59.01 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 176.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -141.09 40.51 1.79 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.183 1.393 . . . . 0.0 113.226 -172.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 77.5 mt -55.99 -21.47 21.37 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.873 -1.142 . . . . 0.0 114.063 176.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -59.1 -38.49 79.67 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.859 1.264 . . . . 0.0 113.636 175.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -161.46 61.83 0.27 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.345 1.058 . . . . 0.0 113.217 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.49 ' H ' HD23 ' B' ' 81' ' ' LEU . 0.5 OUTLIER -61.35 -18.53 59.08 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 -179.358 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -55.44 -31.06 61.6 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.77 -1.206 . . . . 0.0 113.32 173.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.6 -23.55 42.51 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.3 0.952 . . . . 0.0 114.639 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.88 -16.73 43.31 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 118.905 1.352 . . . . 0.0 113.62 -179.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -113.41 0.81 14.88 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 116.188 1.921 . . . . 0.0 116.188 -174.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.17 -35.41 35.9 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 121.028 1.74 . . . . 0.0 115.528 -168.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 21.6 p -66.48 -40.24 89.21 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.428 1.091 . . . . 0.0 112.994 173.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 23.1 mt -67.03 -47.8 70.28 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 123.728 0.811 . . . . 0.0 109.932 171.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 4.6 m -56.01 -40.64 73.69 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 119.26 0.936 . . . . 0.0 112.293 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -60.24 -53.15 61.16 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.76 0.824 . . . . 0.0 111.676 171.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 45.0 tp -52.78 -46.18 67.48 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 120.944 -1.098 . . . . 0.0 111.925 174.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -80.28 -13.71 58.98 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 120.871 -1.143 . . . . 0.0 113.806 -174.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 42.0 t -102.31 -75.87 0.59 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.917 0.887 . . . . 0.0 110.135 169.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -61.6 -21.76 64.62 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.979 1.712 . . . . 0.0 115.12 -171.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -111.17 -20.06 12.48 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 175.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 79.7 mt -127.79 -34.81 2.15 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 -176.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 35.11 19.33 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 130.338 3.455 . . . . 0.0 119.609 -175.079 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 1.4 m -51.26 149.48 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.504 1.522 . . . . 0.0 113.581 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.97 141.5 95.54 Favored Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -45.41 -39.13 16.4 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 125.056 3.837 . . . . 0.0 116.454 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -51.7 -27.09 10.71 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.796 1.238 . . . . 0.0 114.095 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . 0.535 ' HB3' HMC1 ' B' ' 201' ' ' HEC . 2.0 m-80 -65.07 -44.23 89.59 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 120.759 -1.213 . . . . 0.0 110.84 175.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -67.43 -43.97 79.88 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.324 1.05 . . . . 0.0 110.126 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -43.14 80.56 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.507 1.123 . . . . 0.0 112.094 173.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.405 ' O ' HG13 ' B' ' 109' ' ' VAL . 10.2 tt -62.59 -47.36 84.14 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.071 0.948 . . . . 0.0 111.507 173.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -41.65 69.09 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.196 0.907 . . . . 0.0 111.018 173.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.08 -48.55 78.77 Favored Glycine 0 CA--C 1.523 0.563 0 CA-C-O 118.826 -0.986 . . . . 0.0 113.91 171.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -52.55 -50.67 62.45 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.1 1.45 . . . . 0.0 111.36 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.405 HG13 ' O ' ' B' ' 105' ' ' LEU . 0.7 OUTLIER -62.28 -38.26 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 121.581 -0.699 . . . . 0.0 111.819 -179.237 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 52.1 tp -62.99 -57.56 10.31 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.543 1.137 . . . . 0.0 111.89 175.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.452 HG12 ' HB3' ' B' ' 130' ' ' TYR . 12.4 m -60.83 -32.05 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 118.876 0.762 . . . . 0.0 111.567 -175.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 69.1 m -59.71 -46.25 89.65 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 117.607 -1.187 . . . . 0.0 112.698 173.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.63 -44.21 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 CA-C-N 121.904 2.138 . . . . 0.0 113.266 -174.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.464 ' H ' ' HG ' ' B' ' 114' ' ' LEU . 0.2 OUTLIER -65.59 -36.63 84.3 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 125.084 1.353 . . . . 0.0 110.101 -176.788 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . 0.482 ' HB2' ' CD1' ' B' ' 122' ' ' PHE . . . -66.46 -7.07 17.16 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.462 1.653 . . . . 0.0 115.462 173.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . 0.4 ' CE1' ' CB ' ' A' ' 110' ' ' ALA . 0.8 OUTLIER -109.73 -41.56 4.5 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.667 1.122 . . . . 0.0 111.081 -176.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -63.58 -38.49 91.31 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.794 -0.566 . . . . 0.0 112.168 164.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -127.26 25.13 6.21 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.635 1.174 . . . . 0.0 112.768 -167.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -48.19 -35.06 13.58 Favored Glycine 0 N--CA 1.481 1.635 0 C-N-CA 125.194 1.378 . . . . 0.0 115.544 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -55.29 -34.69 64.34 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.97 1.708 . . . . 0.0 113.95 172.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -104.78 -19.91 13.77 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.412 1.885 . . . . 0.0 112.778 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . 0.482 ' CD1' ' HB2' ' B' ' 115' ' ' ALA . 10.9 t80 -78.47 71.71 4.95 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.786 1.635 . . . . 0.0 111.922 -178.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 69.7 p -61.74 161.46 21.14 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 124.747 1.219 . . . . 0.0 112.226 175.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -43.65 -50.17 7.28 Favored 'Trans proline' 0 CA--C 1.55 1.282 0 C-N-CA 123.137 2.558 . . . . 0.0 114.914 167.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -65.65 -32.99 46.66 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.048 1.832 . . . . 0.0 115.598 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 14.8 t -52.11 -44.02 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 120.473 1.488 . . . . 0.0 111.919 172.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.65 -43.1 99.49 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.179 -0.95 . . . . 0.0 112.2 177.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.12 -30.01 70.73 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.191 0.996 . . . . 0.0 113.333 175.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.7 -55.36 13.47 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.602 0.637 . . . . 0.0 110.904 172.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.452 ' HB3' HG12 ' B' ' 111' ' ' VAL . 31.5 m-85 -56.12 -44.01 78.72 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.674 -0.641 . . . . 0.0 112.373 177.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -55.76 -42.53 75.59 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.655 -0.653 . . . . 0.0 112.748 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -64.9 -44.22 90.3 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.614 1.097 . . . . 0.0 113.304 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 2.1 p -70.08 -38.43 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 O-C-N 121.364 -0.835 . . . . 0.0 112.413 175.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 89.6 t -68.68 -37.03 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 118.648 0.658 . . . . 0.0 111.963 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.18 94.75 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.237 -0.915 . . . . 0.0 111.792 169.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.79 -48.81 75.25 Favored Glycine 0 N--CA 1.471 1.005 0 O-C-N 121.801 -0.562 . . . . 0.0 112.808 169.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.7 -45.73 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 118.095 0.948 . . . . 0.0 111.716 174.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.72 -49.53 77.12 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 122.982 0.513 . . . . 0.0 111.472 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -35.32 80.6 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.822 -0.549 . . . . 0.0 111.725 179.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.79 -38.7 76.75 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.453 0.57 . . . . 0.0 111.995 175.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.6 -33.41 75.59 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.911 1.232 . . . . 0.0 111.655 172.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.94 -8.9 52.62 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 170.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -51.16 -42.76 61.02 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 120.387 -1.445 . . . . 0.0 113.685 -176.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -70.7 1.4 5.38 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -60.06 -17.08 36.74 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 119.908 1.231 . . . . 0.0 112.637 168.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 126.533 1.933 . . . . 0.0 112.828 174.652 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 N--CA 1.508 2.453 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 63.2 mt -147.29 179.63 7.5 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 119.911 -1.743 . . . . 0.0 112.436 -173.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -105.91 167.87 9.05 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 127.192 2.197 . . . . 0.0 109.79 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -76.63 -41.47 0.42 Allowed 'Trans proline' 0 CA--C 1.54 0.779 0 CA-C-N 121.484 1.566 . . . . 0.0 113.108 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.58 -35.6 77.59 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -175.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.03 -35.68 77.53 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.601 -0.687 . . . . 0.0 112.406 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -56.83 -49.41 75.51 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.699 1.199 . . . . 0.0 110.004 173.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 75.2 m -58.1 -49.91 75.31 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.905 0.882 . . . . 0.0 111.931 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -65.23 -39.39 92.67 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.813 0.733 . . . . 0.0 112.329 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 36.5 t -62.2 -47.56 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.287 1.035 . . . . 0.0 111.644 173.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -60.09 -45.39 93.1 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.247 0.93 . . . . 0.0 111.317 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.3 -52.28 66.24 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.274 0.63 . . . . 0.0 111.214 176.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.84 -54.31 47.92 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.718 0.807 . . . . 0.0 112.242 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -62.95 -27.78 69.63 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.546 -0.721 . . . . 0.0 112.813 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.26 -44.17 98.06 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.722 1.153 . . . . 0.0 113.4 171.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -71.82 -35.56 69.97 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 118.603 1.202 . . . . 0.0 111.38 174.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 71.4 t -59.13 -44.35 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.111 0.964 . . . . 0.0 111.29 174.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.72 -136.11 5.06 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.605 1.574 . . . . 0.0 115.406 169.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.94 -22.6 60.21 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -72.26 -11.79 60.87 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.536 1.134 . . . . 0.0 113.401 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.49 -45.78 26.62 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.697 1.199 . . . . 0.0 114.2 -175.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.76 -34.39 89.8 Favored Glycine 0 N--CA 1.469 0.88 0 CA-C-O 119.661 -0.522 . . . . 0.0 113.601 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -66.96 -46.05 75.86 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.945 0.898 . . . . 0.0 110.216 174.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -65.13 -35.85 82.4 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.703 -0.623 . . . . 0.0 111.56 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.42 -48.02 73.07 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 123.939 0.78 . . . . 0.0 112.454 170.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.6 -46.72 80.71 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.411 1.106 . . . . 0.0 111.797 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.74 -38.24 90.33 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.424 -0.798 . . . . 0.0 112.186 174.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.451 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -65.64 -40.11 92.17 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.534 -0.729 . . . . 0.0 112.329 177.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.56 -42.91 98.32 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.948 1.299 . . . . 0.0 111.67 171.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.59 -45.91 88.08 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.713 0.805 . . . . 0.0 112.008 176.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -36.09 81.48 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 121.124 -0.985 . . . . 0.0 112.66 173.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -61.77 -42.44 98.99 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.224 0.92 . . . . 0.0 111.225 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -62.55 1.68 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.947 0.899 . . . . 0.0 111.343 167.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.38 -34.73 61.13 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 119.743 -0.783 . . . . 0.0 113.043 -157.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -70.42 -20.19 62.93 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.02 68.88 11.68 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.435 1.094 . . . . 0.0 110.496 -166.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.47 -21.41 23.84 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 123.855 3.037 . . . . 0.0 116.08 -174.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 5.1 p -52.21 -26.67 12.26 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.786 1.635 . . . . 0.0 114.377 166.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 82.1 p -64.12 -37.49 87.66 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 120.865 -1.147 . . . . 0.0 113.258 170.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . 0.409 ' HA ' ' HE3' ' C' ' 40' ' ' LYS . 0.4 OUTLIER -68.26 -32.43 72.59 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -165.194 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 9.0 t -58.71 -25.66 63.13 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 175.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -67.37 -23.83 65.63 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.539 -1.35 . . . . 0.0 113.497 172.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -150.16 77.7 8.2 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 124.545 1.138 . . . . 0.0 112.513 178.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.85 -148.25 0.02 OUTLIER 'Trans proline' 0 CA--C 1.549 1.268 0 C-N-CA 123.808 3.005 . . . . 0.0 110.145 166.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.287 0.7 OUTLIER 57.5 12.46 1.51 Allowed 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.533 1.933 . . . . 0.0 116.072 -175.745 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -105.28 133.94 49.21 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.331 1.852 . . . . 0.0 110.704 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -99.85 80.31 2.31 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.467 1.507 . . . . 0.0 111.542 -177.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 47.5 mt -74.57 36.19 0.1 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.428 1.491 . . . . 0.0 114.518 -174.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -74.3 40.84 0.13 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 126.557 1.943 . . . . 0.0 113.348 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . 0.25 0.6 OUTLIER 55.54 151.42 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 130.725 3.61 . . . . 0.0 116.643 -164.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 46.59 37.54 8.85 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 126.075 1.798 . . . . 0.0 116.45 173.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 13.0 p -68.74 151.68 46.33 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -163.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.02 -18.7 59.17 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.573 1.149 . . . . 0.0 113.792 173.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -90.57 -45.18 9.08 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.479 1.112 . . . . 0.0 111.51 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 98.1 t -68.66 -36.41 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 O-C-N 121.188 -0.945 . . . . 0.0 111.697 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -45.76 90.3 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.675 1.125 . . . . 0.0 112.187 173.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.6 -51.19 37.83 Favored Glycine 0 N--CA 1.471 0.971 0 C-N-CA 124.034 0.826 . . . . 0.0 111.788 -177.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -54.33 -42.59 70.37 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.484 0.713 . . . . 0.0 111.391 171.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.17 -51.86 47.76 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 121.076 -1.015 . . . . 0.0 114.085 170.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -58.97 -37.68 77.35 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 118.856 1.328 . . . . 0.0 112.506 175.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.69 -49.56 58.02 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 118.443 -0.789 . . . . 0.0 112.605 175.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 84.9 t -55.04 -44.52 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 CA-C-N 119.913 1.233 . . . . 0.0 110.771 173.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.54 69.54 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 174.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -59.17 -38.76 80.54 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.134 0.879 . . . . 0.0 112.29 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 65' ' ' ALA . . . . . 0.536 ' HB2' HMA1 ' C' ' 201' ' ' HEC . . . -63.9 -37.5 87.63 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 171.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -42.9 97.24 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.484 0.584 . . . . 0.0 111.325 171.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 21.7 m -59.1 -44.99 92.0 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.64 1.109 . . . . 0.0 111.86 171.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -59.87 -42.93 94.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.379 1.072 . . . . 0.0 111.959 174.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.29 -50.63 72.93 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.46 -0.775 . . . . 0.0 111.56 170.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 73.6 t -55.43 -39.93 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 CA-C-N 119.489 1.04 . . . . 0.0 112.101 175.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.24 -23.48 65.71 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -144.45 41.22 1.34 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.099 1.36 . . . . 0.0 111.748 -173.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 p -64.37 -12.55 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 -161.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.4 -7.02 20.19 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 169.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -114.12 -2.74 13.37 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.258 1.823 . . . . 0.0 112.627 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 76' ' ' MET . . . . . 0.407 ' HA ' ' HB3' ' C' ' 79' ' ' ALA . 23.4 ptt? -56.21 -20.52 0.55 Allowed Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 118.099 2.629 . . . . 0.0 118.099 178.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -47.96 -37.49 29.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 CA-C-N 123.856 2.413 . . . . 0.0 113.992 165.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -88.93 -41.12 12.6 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.662 0.785 . . . . 0.0 112.486 175.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 79' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' C' ' 76' ' ' MET . . . -67.8 -11.43 58.5 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -177.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 62.8 mt -110.86 7.36 21.84 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.362 1.465 . . . . 0.0 113.223 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 69.4 m -53.33 -36.87 61.77 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.91 1.232 . . . . 0.0 114.086 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.58 -28.11 65.25 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 174.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 mt -86.39 -35.81 19.55 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.343 1.057 . . . . 0.0 111.069 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 37.8 m -63.27 -34.42 77.64 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.088 -0.958 . . . . 0.0 112.149 165.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.0 -51.22 68.9 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 120.341 1.428 . . . . 0.0 112.218 167.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 tp -49.05 -45.01 42.25 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.923 0.783 . . . . 0.0 111.854 173.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -70.41 -70.15 0.31 Allowed 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.584 -0.698 . . . . 0.0 110.823 175.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.04 -14.76 25.67 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -171.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -130.68 10.19 5.11 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.318 1.447 . . . . 0.0 113.091 -171.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -138.74 -50.76 0.55 Allowed 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 174.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.98 -12.3 2.21 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 44.38 33.86 0.95 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 128.233 2.613 . . . . 0.0 115.852 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 17.6 t -56.82 135.35 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 -165.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -45.59 121.29 5.26 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 126.062 1.745 . . . . 0.0 112.585 174.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -46.19 -18.99 0.5 Allowed 'Trans proline' 0 C--N 1.352 0.746 1 C-N-CA 125.414 4.076 . . . . 0.0 117.15 176.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 10.4 p -51.06 -39.44 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-N 120.358 1.436 . . . . 0.0 111.989 168.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -57.9 -37.52 74.17 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.751 1.621 . . . . 0.0 112.522 174.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -63.14 -52.48 62.34 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.406 172.389 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -54.16 -44.22 71.29 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 119.288 0.949 . . . . 0.0 110.765 -172.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 55.1 mt -55.06 -64.36 0.86 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.426 1.09 . . . . 0.0 110.589 173.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -35.43 73.41 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.703 0.801 . . . . 0.0 113.101 -177.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 17.9 t -60.68 -51.76 68.0 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.334 1.054 . . . . 0.0 111.913 174.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -59.71 -39.49 84.78 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.922 -0.486 . . . . 0.0 111.068 174.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 104' ' ' CYS . . . . . 0.451 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 55.9 m -59.24 -47.01 86.95 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 118.679 -0.676 . . . . 0.0 111.917 174.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.83 -49.78 76.09 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 123.667 0.787 . . . . 0.0 111.729 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 4.8 mt -51.2 -39.37 56.33 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.85 0.46 . . . . 0.0 111.726 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 34.9 t -68.62 -51.71 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 118.285 -0.864 . . . . 0.0 112.936 170.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 46.0 p -64.9 -36.45 84.41 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.525 1.511 . . . . 0.0 112.832 -172.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.89 -48.22 80.49 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 120.423 1.465 . . . . 0.0 109.983 170.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . 0.406 ' CB ' ' CE1' ' D' ' 116' ' ' HIS . . . -71.08 -20.39 62.36 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -172.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.56 -13.3 20.46 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 170.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -132.03 -13.38 3.18 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -173.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 11.0 mp -98.34 155.04 37.33 Favored Pre-proline 0 CA--C 1.556 1.176 0 C-N-CA 124.983 1.313 . . . . 0.0 110.356 175.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -57.0 -33.72 96.16 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 123.489 2.793 . . . . 0.0 115.639 -171.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.3 -46.0 0.17 Allowed 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 58.62 -9.21 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -175.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -119.32 6.62 11.17 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 1.9 p -47.26 150.07 1.63 Allowed Pre-proline 0 N--CA 1.473 0.708 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -52.22 -31.86 47.9 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 CA-C-N 120.177 1.099 . . . . 0.0 114.811 -172.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.33 -47.41 27.87 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 168.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.82 -43.24 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 120.598 -1.314 . . . . 0.0 113.398 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.71 -39.48 88.06 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 122.171 2.26 . . . . 0.0 111.646 176.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.23 -58.31 8.52 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 122.851 0.46 . . . . 0.0 110.251 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 61.2 p -62.04 -51.96 65.89 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-O 118.313 -0.851 . . . . 0.0 113.271 -177.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.66 -39.62 91.56 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.547 1.067 . . . . 0.0 112.024 -177.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.09 -50.59 61.09 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 120.07 1.305 . . . . 0.0 111.936 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -26.19 66.88 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -68.55 -51.23 45.11 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.655 1.182 . . . . 0.0 112.173 168.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -58.27 -34.05 70.08 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 120.693 -1.255 . . . . 0.0 111.919 173.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.35 -35.16 68.47 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 173.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 89.9 p -69.96 -43.27 71.89 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 119.98 -1.7 . . . . 0.0 110.858 171.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 53.4 t -53.53 -51.75 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.435 1.494 . . . . 0.0 111.063 170.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 86.2 p -64.68 -39.93 94.52 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.469 1.031 . . . . 0.0 113.055 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 4.0 m -51.91 -55.84 17.72 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 118.887 0.767 . . . . 0.0 110.253 170.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 30.6 m -69.65 -27.57 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -176.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.63 -12.33 59.96 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 119.28 0.946 . . . . 0.0 112.87 171.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 97.2 m -96.65 -28.52 14.29 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.361 1.464 . . . . 0.0 111.722 171.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 59.2 m -54.26 136.99 42.31 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.883 1.273 . . . . 0.0 112.44 170.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -75.24 106.14 6.62 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.891 0.877 . . . . 0.0 110.229 177.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -145.42 152.39 39.75 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.311 1.444 . . . . 0.0 111.364 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 127.368 2.267 . . . . 0.0 111.219 -176.327 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.326 2.2 p . . . . . 0 N--CA 1.513 2.715 0 CA-C-O 117.083 -1.437 . . . . 0.0 113.139 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 75.9 t60 14.08 83.96 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 128.292 2.637 . . . . 0.0 116.256 -172.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.01 161.11 8.83 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.43 0.692 . . . . 0.0 111.312 177.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 2.4 p -64.83 155.53 82.56 Favored Pre-proline 0 N--CA 1.48 1.065 0 O-C-N 121.663 -0.648 . . . . 0.0 109.575 163.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -55.83 -41.21 79.61 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 122.394 2.063 . . . . 0.0 113.781 175.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -68.18 -42.53 79.83 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.169 0.588 . . . . 0.0 111.577 177.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.41 -43.45 97.46 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.23 0.612 . . . . 0.0 111.208 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -54.78 -53.09 59.64 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.589 0.756 . . . . 0.0 111.256 172.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m -55.67 -41.83 74.23 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.179 0.9 . . . . 0.0 111.958 176.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.75 98.81 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 p -69.58 -56.64 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 120.112 1.323 . . . . 0.0 111.411 171.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -67.74 -36.18 80.09 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.221 0.919 . . . . 0.0 113.224 -168.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.74 88.68 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 120.08 1.309 . . . . 0.0 112.277 175.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 tt -72.58 -28.24 62.68 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.596 -0.69 . . . . 0.0 111.5 173.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -63.84 -41.13 97.9 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.276 -0.89 . . . . 0.0 111.339 166.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.51 -27.96 49.73 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 125.599 1.571 . . . . 0.0 115.512 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -100.25 -5.81 26.96 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.626 1.171 . . . . 0.0 113.939 174.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.16 138.5 23.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.485 1.114 . . . . 0.0 111.923 -174.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -88.9 67.25 8.17 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.15 0.98 . . . . 0.0 111.174 -175.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 48.8 t -39.74 -45.03 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -164.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -63.16 -57.3 11.01 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.043 0.937 . . . . 0.0 112.473 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -70.0 -52.3 25.35 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.101 0.96 . . . . 0.0 111.053 -175.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.07 -29.41 46.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 125.9 1.68 . . . . 0.0 112.41 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.9 -40.32 10.73 Favored Glycine 0 C--N 1.341 0.817 0 C-N-CA 124.245 0.926 . . . . 0.0 112.305 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.76 -41.31 99.02 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-N 118.306 1.053 . . . . 0.0 111.937 167.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -64.76 -41.08 96.15 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 118.0 -1.0 . . . . 0.0 112.803 171.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.46 -57.63 12.13 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 120.704 1.593 . . . . 0.0 111.415 174.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 31.1 tp -65.86 -39.7 90.98 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.414 -0.804 . . . . 0.0 112.416 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.39 -47.3 85.86 Favored Glycine 0 N--CA 1.469 0.861 0 CA-C-N 119.04 0.836 . . . . 0.0 112.409 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -52.3 -37.56 56.09 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.959 1.304 . . . . 0.0 112.897 172.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.12 -48.99 22.89 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.431 0.692 . . . . 0.0 111.035 176.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . 0.559 HD21 ' CE2' ' D' ' 45' ' ' PHE . 1.3 mm? -75.65 -30.93 59.61 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.236 -0.915 . . . . 0.0 112.457 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 1.1 m -70.78 -11.9 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-N 119.083 0.856 . . . . 0.0 113.228 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.82 -0.74 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 CA-C-N 120.439 1.472 . . . . 0.0 113.504 170.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 12.4 t80 45.74 47.08 3.65 Favored Pre-proline 0 CA--C 1.56 1.352 0 C-N-CA 125.652 1.581 . . . . 0.0 114.266 -166.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -81.72 170.04 14.55 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 123.129 2.553 . . . . 0.0 114.197 -171.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 4.9 p90 -57.67 -28.8 64.1 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 168.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -61.09 -21.72 63.95 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.497 1.519 . . . . 0.0 113.878 174.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -57.88 -24.16 56.37 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.605 1.093 . . . . 0.0 112.895 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.11 -33.8 8.79 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.743 1.217 . . . . 0.0 113.381 171.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -92.77 11.5 26.72 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.436 1.494 . . . . 0.0 113.67 -177.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -60.59 -15.76 31.25 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -50.59 -17.1 0.45 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 172.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 52.6 m -96.64 9.97 39.99 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.793 1.637 . . . . 0.0 114.815 174.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . 0.559 ' CE2' HD21 ' D' ' 32' ' ' LEU . 20.1 m-85 -110.54 -20.35 12.59 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 120.266 -1.521 . . . . 0.0 114.66 -172.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.47 -7.67 17.45 Favored Glycine 0 CA--C 1.54 1.646 0 N-CA-C 117.234 1.654 . . . . 0.0 117.234 170.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -151.33 -130.46 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 119.393 1.597 . . . . 0.0 111.522 -177.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 65.86 8.23 5.17 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.079 2.152 . . . . 0.0 115.449 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 88.3 p -58.17 -16.93 15.35 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 58.7 p -129.82 158.88 72.39 Favored Pre-proline 0 N--CA 1.471 0.621 0 C-N-CA 124.971 1.309 . . . . 0.0 110.324 154.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.05 -42.57 65.26 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 122.582 2.188 . . . . 0.0 114.258 172.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -59.53 -36.76 76.76 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.355 -0.84 . . . . 0.0 111.854 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.59 -36.82 85.48 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 176.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.65 -40.0 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 120.693 1.588 . . . . 0.0 112.688 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 5.1 ttm -80.5 -16.91 53.15 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -176.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -103.21 -22.91 8.82 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 125.211 1.386 . . . . 0.0 115.039 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -54.04 120.21 23.45 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.17 1.388 . . . . 0.0 111.974 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -61.23 -29.56 86.71 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.463 2.108 . . . . 0.0 113.127 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -63.29 -38.79 92.54 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.797 1.18 . . . . 0.0 112.16 171.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 70.4 t -69.63 -34.52 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 119.518 1.054 . . . . 0.0 111.753 174.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -67.04 -50.16 62.89 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 120.231 1.378 . . . . 0.0 111.717 173.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.18 -49.18 78.66 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.557 1.143 . . . . 0.0 112.519 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -67.45 -32.93 74.12 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.935 -1.103 . . . . 0.0 111.929 176.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.52 -47.94 80.19 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 126.295 1.902 . . . . 0.0 113.377 168.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -56.89 -44.46 82.35 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 117.969 0.884 . . . . 0.0 111.042 169.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -61.85 -50.41 72.36 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.746 0.818 . . . . 0.0 112.779 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 p -60.25 -45.29 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 CA-C-N 119.796 1.18 . . . . 0.0 112.35 174.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.87 -33.67 68.57 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.22 -0.925 . . . . 0.0 112.211 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.9 -34.87 78.04 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.242 1.401 . . . . 0.0 113.211 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.52 -50.98 71.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.635 1.218 . . . . 0.0 110.459 165.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -54.08 -38.94 65.87 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 120.918 -1.114 . . . . 0.0 113.633 173.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 1.3 p -65.31 -36.36 83.83 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.841 -1.162 . . . . 0.0 113.425 173.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -27.08 68.12 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.461 -0.774 . . . . 0.0 112.197 169.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.87 -63.04 5.63 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 166.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 mt -53.9 -33.78 57.58 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 176.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.49 -24.48 59.02 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 176.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -141.08 40.59 1.79 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.134 1.374 . . . . 0.0 113.263 -172.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 77.8 mt -55.92 -21.5 20.86 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 176.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -59.19 -38.62 80.3 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.875 1.27 . . . . 0.0 113.576 175.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -161.25 61.76 0.28 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.357 1.063 . . . . 0.0 113.227 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 81' ' ' LEU . . . . . 0.497 ' H ' HD23 ' D' ' 81' ' ' LEU . 0.5 OUTLIER -61.23 -18.54 58.84 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -179.351 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -55.45 -30.99 61.56 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.688 -1.257 . . . . 0.0 113.289 173.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.74 -23.63 41.67 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.299 0.952 . . . . 0.0 114.484 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.89 -16.73 43.25 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 118.993 1.396 . . . . 0.0 113.562 -178.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -113.49 1.0 14.88 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -174.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.45 -35.28 38.9 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 121.066 1.757 . . . . 0.0 115.555 -168.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 22.0 p -66.44 -40.24 89.36 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.419 1.088 . . . . 0.0 113.041 173.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 23.0 mt -67.07 -47.66 70.59 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 123.559 0.744 . . . . 0.0 110.008 171.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 4.5 m -55.97 -40.76 73.74 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.285 0.948 . . . . 0.0 112.194 177.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -60.24 -53.07 62.08 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.713 0.805 . . . . 0.0 111.593 171.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 44.9 tp -52.88 -46.16 67.79 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.118 -0.989 . . . . 0.0 111.932 174.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -80.38 -13.53 59.07 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.838 -1.164 . . . . 0.0 113.771 -174.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 42.0 t -102.38 -75.89 0.59 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.833 0.853 . . . . 0.0 110.18 169.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.5 -21.71 64.46 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.013 1.725 . . . . 0.0 115.158 -171.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -111.14 -20.22 12.43 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 175.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 80.4 mt -127.7 -34.87 2.16 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -176.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 35.32 19.09 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 130.239 3.416 . . . . 0.0 119.692 -175.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 1.4 m -51.34 149.44 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 125.463 1.505 . . . . 0.0 113.5 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.96 141.62 95.48 Favored Pre-proline 0 CA--C 1.555 1.146 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -45.49 -39.03 16.75 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 125.158 3.906 . . . . 0.0 116.472 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -51.76 -27.07 10.94 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 173.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 102' ' ' ASN . . . . . 0.532 ' HB3' HMC1 ' D' ' 201' ' ' HEC . 1.9 m-80 -65.04 -44.33 89.42 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.855 -1.153 . . . . 0.0 110.808 175.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -67.28 -43.96 80.48 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.274 1.029 . . . . 0.0 110.151 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -43.29 80.38 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.52 1.128 . . . . 0.0 112.06 172.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 105' ' ' LEU . . . . . 0.403 ' O ' HG13 ' D' ' 109' ' ' VAL . 10.2 tt -62.57 -47.28 84.52 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.057 0.943 . . . . 0.0 111.497 173.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.31 -41.51 69.05 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.327 0.967 . . . . 0.0 111.046 173.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.33 -48.39 80.81 Favored Glycine 0 CA--C 1.523 0.578 0 CA-C-O 118.823 -0.987 . . . . 0.0 113.958 171.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -52.48 -50.76 62.06 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.041 1.421 . . . . 0.0 111.406 172.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 109' ' ' VAL . . . . . 0.403 HG13 ' O ' ' D' ' 105' ' ' LEU . 0.7 OUTLIER -62.18 -38.26 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 O-C-N 121.514 -0.741 . . . . 0.0 111.872 -179.301 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.09 -57.54 10.27 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.476 1.111 . . . . 0.0 111.797 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 111' ' ' VAL . . . . . 0.457 HG12 ' HB3' ' D' ' 130' ' ' TYR . 12.2 m -60.8 -32.01 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 119.001 0.819 . . . . 0.0 111.586 -175.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 69.2 m -59.76 -46.14 90.09 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 117.523 -1.227 . . . . 0.0 112.812 173.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.64 -44.24 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 CA-C-N 121.75 2.068 . . . . 0.0 113.294 -175.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 114' ' ' LEU . . . . . 0.432 ' HG ' ' H ' ' D' ' 114' ' ' LEU . 0.2 OUTLIER -65.63 -36.57 84.07 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 125.166 1.387 . . . . 0.0 110.034 -176.725 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 115' ' ' ALA . . . . . 0.483 ' HB2' ' CD1' ' D' ' 122' ' ' PHE . . . -66.52 -7.1 17.66 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 173.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 116' ' ' HIS . . . . . 0.406 ' CE1' ' CB ' ' C' ' 110' ' ' ALA . 0.8 OUTLIER -109.75 -41.74 4.45 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.621 1.1 . . . . 0.0 111.0 -176.807 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -63.6 -38.33 90.72 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.757 -0.589 . . . . 0.0 112.145 164.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -127.38 25.0 6.18 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.763 1.225 . . . . 0.0 112.872 -167.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -48.11 -35.18 13.4 Favored Glycine 0 N--CA 1.481 1.668 0 C-N-CA 125.163 1.363 . . . . 0.0 115.512 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -55.28 -34.54 64.19 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 126.011 1.724 . . . . 0.0 113.885 172.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -104.93 -20.16 13.64 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.499 1.92 . . . . 0.0 112.736 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 122' ' ' PHE . . . . . 0.483 ' CD1' ' HB2' ' D' ' 115' ' ' ALA . 11.1 t80 -78.28 71.78 4.77 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.812 1.645 . . . . 0.0 111.905 -178.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 69.4 p -61.59 161.59 19.52 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 124.747 1.219 . . . . 0.0 112.15 175.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -43.72 -50.19 7.35 Favored 'Trans proline' 0 CA--C 1.55 1.291 0 C-N-CA 123.196 2.597 . . . . 0.0 115.014 166.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -65.53 -33.13 47.32 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.965 1.777 . . . . 0.0 115.478 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 14.6 t -52.17 -43.99 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 CA-C-N 120.567 1.53 . . . . 0.0 111.864 172.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.7 -43.02 99.66 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.155 -0.965 . . . . 0.0 112.147 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.25 -30.02 70.82 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.173 0.989 . . . . 0.0 113.411 175.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.53 -55.37 13.77 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.478 0.581 . . . . 0.0 111.036 172.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 130' ' ' TYR . . . . . 0.457 ' HB3' HG12 ' D' ' 111' ' ' VAL . 31.3 m-85 -56.06 -44.07 78.55 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.665 -0.647 . . . . 0.0 112.438 177.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -55.85 -42.42 75.77 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.55 -0.718 . . . . 0.0 112.713 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -64.93 -44.02 90.84 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 119.747 1.158 . . . . 0.0 113.346 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 2.1 p -70.35 -38.4 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 O-C-N 121.228 -0.92 . . . . 0.0 112.35 175.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.84 -36.84 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.583 -0.698 . . . . 0.0 111.957 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.2 95.15 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.195 -0.941 . . . . 0.0 111.865 169.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.84 -48.76 75.84 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 121.825 -0.547 . . . . 0.0 112.759 169.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.64 -45.69 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 118.125 0.962 . . . . 0.0 111.848 174.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.75 76.3 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.129 0.572 . . . . 0.0 111.459 177.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -35.45 80.97 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.849 -0.532 . . . . 0.0 111.613 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.93 77.09 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.495 0.589 . . . . 0.0 112.042 175.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.18 -33.64 76.23 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.816 1.189 . . . . 0.0 111.793 172.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.79 -9.07 53.24 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 170.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -51.16 -42.77 61.02 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.372 -1.455 . . . . 0.0 113.759 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -70.58 1.33 5.33 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -60.11 -17.05 37.29 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 120.033 1.288 . . . . 0.0 112.631 168.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 . . . . . 0 C--O 1.254 1.323 0 C-N-CA 126.556 1.943 . . . . 0.0 112.884 174.627 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.518 HMA1 ' HB2' ' A' ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 201' ' ' HEC . . . . . 0.535 HMC1 ' HB3' ' B' ' 102' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 201' ' ' HEC . . . . . 0.536 HMA1 ' HB2' ' C' ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 201' ' ' HEC . . . . . 0.532 HMC1 ' HB3' ' D' ' 102' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.514 2.726 0 N-CA-C 116.33 1.974 . . . . 0.0 116.33 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.531 HD13 ' CG2' ' A' ' 73' ' ' VAL . 5.1 mp -130.28 -169.51 2.15 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 121.681 2.037 . . . . 0.0 111.091 -174.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 t 150.4 -35.71 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.721 0 C-N-CA 129.994 3.318 . . . . 0.0 115.421 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -57.66 -176.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 124.466 3.444 . . . . 0.0 116.02 177.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.55 -27.45 1.13 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.531 1.532 . . . . 0.0 115.053 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -54.65 -44.14 72.99 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.822 1.249 . . . . 0.0 113.244 171.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -58.39 -50.83 72.27 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.782 0.833 . . . . 0.0 110.531 170.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.3 m -57.25 -42.34 81.34 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.816 0.846 . . . . 0.0 111.799 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.08 -41.45 77.52 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.123 0.969 . . . . 0.0 112.488 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.99 -38.28 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 119.369 0.986 . . . . 0.0 111.944 173.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -57.01 -47.71 80.22 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.532 1.133 . . . . 0.0 111.716 169.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.66 -51.5 69.67 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.281 0.632 . . . . 0.0 111.448 175.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.6 -54.4 47.47 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.974 0.51 . . . . 0.0 112.155 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -63.89 -29.4 70.59 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.153 -0.967 . . . . 0.0 112.954 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.95 -39.39 96.45 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.457 1.027 . . . . 0.0 113.21 170.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -69.08 -38.15 78.85 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 118.675 1.237 . . . . 0.0 111.605 171.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.8 t -59.28 -53.06 53.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.729 1.212 . . . . 0.0 111.51 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.64 -128.6 4.0 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.465 1.031 . . . . 0.0 114.442 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.42 -21.99 52.69 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -72.76 -8.27 54.63 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 175.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.469 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -49.58 -50.12 43.76 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.176 0.898 . . . . 0.0 113.244 -178.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.56 -36.56 93.31 Favored Glycine 0 N--CA 1.47 0.917 0 O-C-N 122.005 -0.435 . . . . 0.0 113.544 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.24 -49.89 73.91 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.485 1.114 . . . . 0.0 111.274 171.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -63.45 -37.55 87.71 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.433 1.015 . . . . 0.0 112.237 175.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.32 -60.09 9.39 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.302 0.953 . . . . 0.0 111.66 170.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.07 72.4 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.676 1.19 . . . . 0.0 112.247 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.72 -33.42 71.59 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.787 1.235 . . . . 0.0 113.214 174.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.75 -36.33 70.39 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.135 0.88 . . . . 0.0 111.77 174.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 mt -62.16 -49.38 76.06 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 118.654 0.661 . . . . 0.0 110.314 170.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -56.03 -54.29 46.71 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.096 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -51.46 -51.36 55.69 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 117.914 -1.041 . . . . 0.0 111.378 173.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 57.1 ttp -53.89 -44.56 70.59 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 118.978 0.808 . . . . 0.0 113.175 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -67.23 -25.38 66.07 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 pp -112.02 -17.93 12.74 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -175.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.7 p -82.39 -28.49 31.42 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.161 1.384 . . . . 0.0 112.993 164.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -141.57 70.7 25.89 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 124.868 1.267 . . . . 0.0 110.794 -175.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -46.81 -28.06 6.37 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 125.006 3.804 . . . . 0.0 116.491 -175.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -16.51 1.42 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.979 2.111 . . . . 0.0 114.47 171.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.3 p -79.67 -23.52 42.41 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.583 -1.323 . . . . 0.0 113.806 173.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -58.57 -32.52 69.01 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.111 1.323 . . . . 0.0 113.732 -177.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.2 t -62.77 -26.21 68.6 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -74.53 3.92 6.9 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.196 0.998 . . . . 0.0 112.714 173.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -126.46 62.71 49.24 Favored Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 127.105 2.162 . . . . 0.0 110.593 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -73.47 2.38 5.8 Favored 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 124.367 3.378 . . . . 0.0 115.663 -172.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -139.94 25.64 2.31 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.081 1.352 . . . . 0.0 113.112 -169.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.91 167.33 13.7 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.668 1.187 . . . . 0.0 113.543 -164.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -117.77 110.82 18.28 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.901 1.281 . . . . 0.0 109.573 176.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.07 3.86 18.98 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.958 1.303 . . . . 0.0 112.97 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.3 m -49.53 138.32 13.87 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.992 1.717 . . . . 0.0 112.489 175.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.45 127.38 31.79 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.732 -0.605 . . . . 0.0 111.51 -177.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.23 15.32 81.67 Favored Glycine 0 CA--C 1.539 1.56 0 CA-C-O 118.734 -1.037 . . . . 0.0 115.35 -176.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.6 t -48.11 121.79 4.6 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.409 1.484 . . . . 0.0 113.524 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.52 -36.55 55.68 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.902 1.281 . . . . 0.0 112.903 176.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -66.8 -38.13 85.9 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.19 0.596 . . . . 0.0 111.998 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 75.4 t -66.85 -40.39 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 O-C-N 121.492 -0.755 . . . . 0.0 111.066 176.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -59.66 -51.53 69.38 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 118.966 0.803 . . . . 0.0 110.536 172.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.27 -47.14 92.58 Favored Glycine 0 N--CA 1.471 1.024 0 C-N-CA 124.886 1.231 . . . . 0.0 113.33 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -63.85 -41.03 97.89 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.165 0.983 . . . . 0.0 111.55 172.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.4 -48.43 54.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 121.188 -0.945 . . . . 0.0 113.744 171.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -57.61 -39.83 77.74 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.006 0.922 . . . . 0.0 112.05 172.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -47.94 69.71 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 176.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 66.1 t -56.5 -44.79 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-N 120.433 1.47 . . . . 0.0 111.087 173.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.469 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -59.9 -51.5 69.44 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 175.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -59.71 -34.72 73.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.268 0.627 . . . . 0.0 111.641 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.44 ' HB2' HMA1 ' A' ' 201' ' ' HEC . . . -65.72 -36.18 82.87 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.714 -1.241 . . . . 0.0 113.998 169.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.14 -40.21 94.1 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.718 1.145 . . . . 0.0 111.277 169.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 56.1 m -60.65 -43.45 97.56 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.479 1.036 . . . . 0.0 112.309 170.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -61.07 -42.69 98.98 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.808 1.643 . . . . 0.0 111.919 175.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.4 -51.85 67.73 Favored 'General case' 0 C--O 1.22 -0.449 0 O-C-N 121.152 -0.967 . . . . 0.0 111.137 168.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.6 t -54.57 -31.85 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.798 1.239 . . . . 0.0 113.386 177.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.52 -24.89 56.86 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 175.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -138.95 18.98 2.64 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.611 1.165 . . . . 0.0 113.805 -167.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.531 ' CG2' HD13 ' A' ' 2' ' ' LEU . 6.9 p -58.78 -25.62 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 O-C-N 120.302 -1.499 . . . . 0.0 114.46 -170.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -80.34 -9.35 59.74 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 121.058 -1.026 . . . . 0.0 113.119 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -135.09 21.05 3.46 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 128.183 2.593 . . . . 0.0 111.277 -175.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.8 ttm -58.96 -32.76 13.74 Favored Pre-proline 0 CA--C 1.551 0.985 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -162.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -53.49 23.85 0.02 OUTLIER 'Trans proline' 0 CA--C 1.555 1.543 1 C-N-CA 127.221 5.281 . . . . 0.0 119.031 168.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -143.86 -40.74 0.28 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 127.24 2.216 . . . . 0.0 110.835 173.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.42 -35.64 79.86 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.2 mt -92.66 6.2 48.27 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.3 m -58.07 -33.42 69.03 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 120.246 1.385 . . . . 0.0 114.645 -174.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.24 -33.44 73.51 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.062 -1.024 . . . . 0.0 112.66 171.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.8 mt -80.81 -39.98 25.75 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 124.399 1.08 . . . . 0.0 111.366 -178.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 94.3 p -66.65 -33.15 75.01 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 118.524 -0.75 . . . . 0.0 112.004 170.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -53.82 51.67 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.623 1.101 . . . . 0.0 111.221 168.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 31.6 tp -52.16 -64.88 0.67 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.052 0.541 . . . . 0.0 110.485 171.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.29 7.54 0.14 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 126.188 1.795 . . . . 0.0 115.32 -173.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -130.15 -34.82 1.63 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.185 1.394 . . . . 0.0 113.067 173.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -79.84 -34.69 39.2 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.696 0.798 . . . . 0.0 112.596 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -154.4 119.48 5.01 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.919 1.288 . . . . 0.0 111.181 -177.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 70.04 93.82 0.08 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.193 1.797 . . . . 0.0 110.168 -173.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.499 HH21 HG13 ' D' ' 98' ' ' VAL . 0.0 OUTLIER -62.75 -10.82 14.15 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 -172.256 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.0 t 30.66 89.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 C-N-CA 128.407 2.683 . . . . 0.0 114.292 -173.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -55.25 135.4 68.9 Favored Pre-proline 0 CA--C 1.546 0.808 0 CA-C-O 118.0 -1.0 . . . . 0.0 112.027 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -45.38 -30.49 5.62 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.607 2.871 . . . . 0.0 115.79 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.2 p -56.92 -40.5 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 120.731 -1.231 . . . . 0.0 112.773 174.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.54 ' HB3' HMC1 ' A' ' 201' ' ' HEC . 55.1 m-20 -68.92 -35.22 76.56 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 120.845 -1.16 . . . . 0.0 112.215 -175.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -46.97 64.69 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.053 0.388 . . . . 0.0 110.327 168.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -63.64 -39.1 93.5 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.137 0.575 . . . . 0.0 110.62 -174.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.0 mt -59.18 -56.19 25.31 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.571 0.748 . . . . 0.0 111.239 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.609 HD23 HMC3 ' A' ' 201' ' ' HEC . 0.2 OUTLIER -64.19 -37.21 86.64 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.79 0.723 . . . . 0.0 111.54 -178.186 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.6 t -59.0 -48.46 81.51 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.71 1.204 . . . . 0.0 112.314 173.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -56.8 -44.03 81.52 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.13 -0.981 . . . . 0.0 111.709 172.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 71.9 m -63.78 -37.68 88.29 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 175.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 35.7 mt -60.92 -46.66 89.77 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.463 1.028 . . . . 0.0 111.925 172.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 75.1 mt -53.38 -47.68 69.27 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.525 1.057 . . . . 0.0 110.732 174.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.6 t -55.94 -48.12 79.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 118.735 -0.65 . . . . 0.0 112.423 174.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.5 p -68.27 -40.15 81.94 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 120.753 1.615 . . . . 0.0 113.284 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.0 -44.1 87.01 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.592 1.087 . . . . 0.0 110.091 175.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.83 -30.77 64.09 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 175.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.74 -7.83 23.87 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -135.3 -43.82 0.7 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.45 1.1 . . . . 0.0 113.905 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.52 166.36 42.84 Favored Pre-proline 0 CA--C 1.562 1.422 0 C-N-CA 123.587 0.755 . . . . 0.0 109.388 172.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -58.71 -136.29 0.0 OUTLIER 'Trans proline' 0 CA--C 1.551 1.361 1 C-N-CA 125.806 4.337 . . . . 0.0 115.861 174.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.43 28.02 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.156 0 O-C-N 119.214 -2.179 . . . . 0.0 114.613 172.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.21 -19.74 2.19 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 129.439 3.096 . . . . 0.0 117.147 -151.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.535 ' CE2' HG12 ' B' ' 113' ' ' VAL . 20.8 p90 -74.03 37.65 0.1 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.814 2.046 . . . . 0.0 109.476 161.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.01 167.7 29.35 Favored Pre-proline 0 N--CA 1.488 1.454 0 C-N-CA 126.157 1.783 . . . . 0.0 112.041 -170.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.94 -40.11 58.59 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.032 1.822 . . . . 0.0 114.924 174.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.69 -58.51 2.78 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.854 0.462 . . . . 0.0 109.961 174.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.66 -30.14 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 121.018 -1.051 . . . . 0.0 112.663 -168.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.62 -50.02 54.69 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 120.497 -1.377 . . . . 0.0 111.705 170.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.99 -39.86 79.29 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.982 0.81 . . . . 0.0 110.312 176.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.3 m -58.98 -60.87 3.18 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 125.58 1.552 . . . . 0.0 111.905 174.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 52.4 mt -64.85 -39.62 93.86 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 117.862 -1.066 . . . . 0.0 112.019 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -55.56 -56.5 19.58 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 120.45 1.477 . . . . 0.0 111.798 173.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -33.27 71.73 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -69.08 -50.28 49.77 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.604 1.093 . . . . 0.0 111.369 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.3 -39.58 87.44 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.122 0.873 . . . . 0.0 110.611 172.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.19 80.43 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.835 1.198 . . . . 0.0 113.179 172.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.8 p -68.59 -40.53 80.43 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.861 1.21 . . . . 0.0 112.401 171.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 78.2 t -55.39 -50.14 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.9 t -50.93 -61.92 1.92 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.333 1.053 . . . . 0.0 112.329 171.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 51.6 m -47.54 -34.86 8.14 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.0 1.32 . . . . 0.0 113.446 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 89.5 t -83.75 -45.12 18.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.545 0.738 . . . . 0.0 111.907 177.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.97 -27.92 69.18 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.285 1.034 . . . . 0.0 113.34 175.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 36.1 p -103.3 10.94 37.31 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 127.421 2.289 . . . . 0.0 112.551 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 40.2 t -39.29 113.66 0.34 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.781 1.632 . . . . 0.0 113.077 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -59.5 -39.89 85.25 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.375 1.07 . . . . 0.0 113.034 -163.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 18.7 t80 48.91 -149.47 0.2 Allowed 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 125.143 1.377 . . . . 0.0 113.077 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 . . . . . 0 C--O 1.255 1.394 0 C-N-CA 127.316 2.247 . . . . 0.0 111.507 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.298 4.7 p . . . . . 0 N--CA 1.515 2.784 0 CA-C-O 116.765 -1.588 . . . . 0.0 113.726 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -1.26 88.73 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 128.587 2.755 . . . . 0.0 115.678 -169.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.33 161.64 19.19 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 122.16 -0.337 . . . . 0.0 110.866 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.04 148.79 94.54 Favored Pre-proline 0 N--CA 1.479 0.992 0 CA-C-O 118.362 -0.828 . . . . 0.0 109.069 163.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -52.7 -41.74 67.32 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 123.287 2.658 . . . . 0.0 115.598 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -69.93 -35.55 74.64 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.373 -0.83 . . . . 0.0 112.295 177.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.51 -44.77 73.96 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.56 -0.712 . . . . 0.0 111.484 172.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.99 -47.23 68.39 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.146 0.978 . . . . 0.0 111.161 170.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.9 t -57.52 -48.39 79.4 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.113 0.87 . . . . 0.0 111.188 177.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.21 -49.87 74.65 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.695 HG23 ' CE1' ' B' ' 130' ' ' TYR . 2.3 p -65.22 -52.23 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 119.792 1.178 . . . . 0.0 111.882 175.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -71.61 -35.91 70.63 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.156 0.889 . . . . 0.0 111.951 -164.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.62 94.27 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.544 0.611 . . . . 0.0 112.194 172.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 tt -73.0 -35.0 66.74 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.422 -0.799 . . . . 0.0 111.627 177.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -29.42 70.7 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.73 -1.231 . . . . 0.0 113.103 165.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.04 -41.18 98.65 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.37 0.986 . . . . 0.0 113.247 175.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -84.13 -18.19 37.62 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 175.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.436 HG21 HD21 ' B' ' 114' ' ' LEU . 0.3 OUTLIER -56.7 137.87 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 121.694 0.759 . . . . 0.0 112.971 -172.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -83.48 72.23 10.27 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.708 1.203 . . . . 0.0 110.173 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 76.2 t -41.69 -49.03 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 125.581 1.552 . . . . 0.0 115.171 -164.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.91 -49.89 74.37 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.992 1.317 . . . . 0.0 114.29 174.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -70.18 -55.13 10.11 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.152 0.581 . . . . 0.0 110.63 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.49 -37.53 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 124.638 1.175 . . . . 0.0 112.249 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.43 -42.75 26.71 Favored Glycine 0 C--N 1.339 0.711 0 C-N-CA 123.876 0.751 . . . . 0.0 111.376 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.42 -43.76 97.18 Favored Glycine 0 CA--C 1.525 0.688 0 CA-C-N 117.899 0.85 . . . . 0.0 112.561 170.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.77 -43.85 87.59 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.239 1.019 . . . . 0.0 111.81 175.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.29 -50.38 60.51 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 120.734 -1.229 . . . . 0.0 113.129 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.458 HD21 ' CD2' ' B' ' 63' ' ' HIS . 13.5 tp -62.02 -47.04 86.51 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.91 -45.17 81.61 Favored Glycine 0 CA--C 1.524 0.598 0 CA-C-O 118.636 -1.091 . . . . 0.0 113.515 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.433 ' HD2' ' SD ' ' B' ' 55' ' ' MET . 3.6 mpt_? -65.76 -44.37 86.09 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.448 1.624 . . . . 0.0 111.793 174.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.35 -47.73 62.67 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.261 1.391 . . . . 0.0 110.863 170.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.8 mt -61.1 2.47 0.13 Allowed 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 m -135.69 -27.97 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.528 1.531 . . . . 0.0 114.275 177.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -24.13 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 121.106 1.775 . . . . 0.0 111.319 165.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -128.58 68.28 77.88 Favored Pre-proline 0 CA--C 1.531 0.222 0 C-N-CA 124.149 0.98 . . . . 0.0 109.674 -169.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -61.59 -18.9 62.56 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.855 3.037 . . . . 0.0 114.777 -163.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -32.22 49.47 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.16 0.984 . . . . 0.0 113.287 166.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 81.2 p -59.28 -10.51 3.04 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.414 -1.429 . . . . 0.0 114.766 172.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -50.88 -34.74 29.46 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 117.433 -1.27 . . . . 0.0 113.871 172.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -38.38 64.01 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 122.101 2.228 . . . . 0.0 113.531 -173.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -72.91 -6.68 46.8 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.795 1.238 . . . . 0.0 113.423 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -16.54 13.57 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 172.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -50.58 -25.89 4.66 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 166.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -106.32 -28.87 10.12 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.867 1.267 . . . . 0.0 113.06 173.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -79.24 -17.09 55.43 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.64 -176.31 20.27 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.181 0.896 . . . . 0.0 112.874 -169.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 27.61 -96.75 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 128.092 2.557 . . . . 0.0 115.186 173.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 tt 53.98 -16.23 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 128.877 2.871 . . . . 0.0 117.743 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 6.0 t -59.09 -14.81 11.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.882 2.073 . . . . 0.0 115.248 -170.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 18.6 p -130.05 155.17 81.09 Favored Pre-proline 0 N--CA 1.472 0.661 0 C-N-CA 124.487 1.115 . . . . 0.0 111.658 169.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -41.81 -52.74 3.75 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 124.839 3.693 . . . . 0.0 116.039 165.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.18 -34.8 76.97 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 122.987 0.515 . . . . 0.0 112.051 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.69 -55.75 29.5 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 122.089 -0.382 . . . . 0.0 110.874 172.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.6 -30.92 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -173.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . 0.433 ' SD ' ' HD2' ' B' ' 30' ' ' ARG . 2.5 tpp -76.5 -35.33 58.42 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 175.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.85 -35.25 54.8 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 121.694 -0.629 . . . . 0.0 113.629 176.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -52.0 116.51 8.36 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 125.218 1.407 . . . . 0.0 114.127 -168.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -64.55 -27.97 61.59 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.605 2.203 . . . . 0.0 113.155 -174.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -71.23 -31.5 67.64 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 121.083 -1.011 . . . . 0.0 112.874 174.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 97.7 t -65.25 -41.44 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 CA-C-N 118.622 0.646 . . . . 0.0 110.381 167.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -61.42 -46.25 90.9 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.939 0.791 . . . . 0.0 112.612 171.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.37 -47.51 78.99 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.566 1.146 . . . . 0.0 113.221 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' HIS . . . . . 0.458 ' CD2' HD21 ' B' ' 28' ' ' LEU . 0.7 OUTLIER -60.09 -39.18 85.25 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.126 -0.984 . . . . 0.0 110.699 169.773 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -47.99 -52.43 16.86 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 125.971 1.748 . . . . 0.0 114.317 167.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -55.43 -45.31 76.78 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 118.068 0.934 . . . . 0.0 111.448 173.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -63.63 -53.16 55.91 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.293 1.037 . . . . 0.0 113.364 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.59 -48.19 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-N 120.058 1.299 . . . . 0.0 111.786 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.4 tt -69.31 -39.36 78.3 Favored 'General case' 0 C--O 1.223 -0.306 0 O-C-N 121.665 -0.647 . . . . 0.0 111.4 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.3 -34.74 59.49 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.332 0.968 . . . . 0.0 112.912 176.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.19 -44.17 89.26 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.034 0.917 . . . . 0.0 112.458 168.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -58.94 -40.79 85.73 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 120.588 -1.32 . . . . 0.0 110.88 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -67.18 -42.59 83.99 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.457 1.103 . . . . 0.0 112.975 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -58.99 -36.5 75.0 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.679 0.792 . . . . 0.0 111.324 170.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.35 -58.13 16.17 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 123.866 0.746 . . . . 0.0 111.512 168.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mt -55.09 -30.49 59.8 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 118.513 1.157 . . . . 0.0 113.88 177.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.39 -23.31 40.52 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 173.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -143.53 58.35 1.38 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.432 1.893 . . . . 0.0 112.332 -173.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 90.6 mt -68.47 -7.56 33.11 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.1 -1.0 . . . . 0.0 113.288 175.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -64.8 -27.6 68.99 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -176.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.04 90.37 0.83 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.298 1.039 . . . . 0.0 112.675 170.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 mt -59.87 -40.32 88.25 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.106 -0.996 . . . . 0.0 112.76 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -57.72 -29.09 64.44 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.363 1.065 . . . . 0.0 112.665 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -92.0 -48.18 3.18 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 125.097 1.332 . . . . 0.0 113.175 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.6 t -64.97 -23.06 67.11 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 118.839 1.32 . . . . 0.0 112.621 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -110.89 16.08 21.46 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 124.759 1.224 . . . . 0.0 113.847 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.29 -44.54 72.01 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 120.957 1.708 . . . . 0.0 113.122 -177.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 17.5 p -62.94 -40.93 99.14 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.785 1.234 . . . . 0.0 112.595 173.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 21.3 mt -68.56 -39.57 80.98 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.789 -0.569 . . . . 0.0 111.51 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 8.5 t -61.36 -46.38 90.47 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 124.234 1.014 . . . . 0.0 110.946 175.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -57.9 -49.71 75.8 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.71 0.804 . . . . 0.0 112.433 171.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.4 tp -51.5 -56.61 12.42 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.936 0.894 . . . . 0.0 111.296 173.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -74.44 20.62 0.11 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.7 1.6 . . . . 0.0 113.707 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 94.2 m -136.32 -74.01 0.44 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.559 1.544 . . . . 0.0 110.702 171.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.93 -29.2 70.13 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.153 1.781 . . . . 0.0 113.551 -175.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.25 -44.39 8.35 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.678 0.791 . . . . 0.0 111.559 170.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.88 76.1 1.05 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.087 1.355 . . . . 0.0 113.403 -173.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -53.86 33.16 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 129.72 3.208 . . . . 0.0 115.009 163.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' VAL . . . . . 0.492 HG13 HH21 ' C' ' 92' ' ' ARG . 14.0 t -55.7 143.65 8.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 127.489 2.316 . . . . 0.0 111.998 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.61 126.93 1.47 Allowed Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 124.959 1.303 . . . . 0.0 113.398 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.54 -25.59 34.79 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.521 2.148 . . . . 0.0 113.91 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -59.6 -39.6 84.71 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 120.929 1.695 . . . . 0.0 111.159 177.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . 0.72 HD22 HMC1 ' B' ' 201' ' ' HEC . 27.8 t30 -57.64 -25.81 60.69 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 176.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . 0.409 ' CD1' HMC2 ' B' ' 201' ' ' HEC . 4.8 m-85 -72.66 -45.27 59.78 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.253 0.933 . . . . 0.0 109.917 174.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -44.46 83.34 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.828 1.251 . . . . 0.0 110.571 172.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.25 -46.92 86.68 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.127 0.971 . . . . 0.0 111.392 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.4 tt -53.86 -45.39 70.97 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.459 1.027 . . . . 0.0 110.678 174.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -52.93 -55.15 25.1 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 123.29 0.471 . . . . 0.0 113.138 172.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -58.96 -36.26 74.52 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 89.5 t -67.25 -52.55 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 O-C-N 121.365 -0.834 . . . . 0.0 110.181 176.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 34.0 tp -55.08 -52.84 61.96 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 118.764 0.711 . . . . 0.0 111.574 -174.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 35.2 m -56.42 -34.61 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 7.8 t -69.31 -35.48 76.02 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.801 -0.562 . . . . 0.0 111.393 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . 0.535 HG12 ' CE2' ' A' ' 117' ' ' PHE . 0.7 OUTLIER -69.58 -36.75 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 O-C-N 121.213 -0.929 . . . . 0.0 111.793 176.002 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.436 HD21 HG21 ' B' ' 18' ' ' VAL . 3.7 mp -67.36 -38.37 84.69 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.909 0.777 . . . . 0.0 112.324 172.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.55 -24.51 32.7 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 169.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -53.17 6.91 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 169.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.89 -26.49 65.14 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.976 0.807 . . . . 0.0 113.054 -174.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -133.83 23.65 3.94 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.103 1.361 . . . . 0.0 112.391 -170.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -46.24 -37.68 8.23 Favored Glycine 0 N--CA 1.476 1.331 0 C-N-CA 125.564 1.554 . . . . 0.0 116.646 -172.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -61.3 -30.59 70.58 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.288 1.435 . . . . 0.0 113.382 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -103.7 -11.51 17.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.63 1.972 . . . . 0.0 112.596 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -81.99 60.49 4.85 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.104 1.362 . . . . 0.0 112.772 -174.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 33.5 p -53.41 159.08 2.43 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 125.907 1.683 . . . . 0.0 113.353 -174.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -49.2 -50.03 13.91 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 121.896 1.731 . . . . 0.0 114.315 172.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -65.33 -23.1 59.34 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 CA-C-N 121.239 1.478 . . . . 0.0 115.168 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.14 -41.26 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 121.643 2.02 . . . . 0.0 111.796 175.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -58.1 -47.27 83.75 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.85 0.75 . . . . 0.0 110.644 173.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.1 -31.33 72.49 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 176.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.26 -50.64 59.68 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.481 0.712 . . . . 0.0 110.02 175.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.695 ' CE1' HG23 ' B' ' 11' ' ' VAL . 50.6 m-85 -55.96 -49.16 74.32 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 171.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -60.09 -34.15 73.08 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 118.659 -0.686 . . . . 0.0 112.599 -176.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -68.19 -38.71 82.29 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 171.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 18.8 t -64.45 -43.86 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 CA-C-N 120.097 1.317 . . . . 0.0 110.638 171.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 45.8 t -84.07 -30.39 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -167.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.14 -44.05 92.06 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.627 1.103 . . . . 0.0 110.938 163.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.82 -48.97 82.59 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 123.741 0.686 . . . . 0.0 113.234 171.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.96 -47.38 83.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.453 1.101 . . . . 0.0 111.938 175.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.4 89.11 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.083 0.856 . . . . 0.0 111.53 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -62.09 -39.06 91.17 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.849 -0.532 . . . . 0.0 112.085 175.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.44 -44.09 83.83 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.655 0.782 . . . . 0.0 112.109 173.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.52 -24.92 66.45 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.788 -1.195 . . . . 0.0 112.749 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.67 -2.51 57.62 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 169.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -57.81 -38.77 76.15 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 119.673 -1.892 . . . . 0.0 113.627 -175.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -69.21 6.06 1.08 Allowed 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 174.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -73.03 9.96 1.05 Allowed 'General case' 0 CA--C 1.558 1.288 0 CA-C-N 120.264 1.393 . . . . 0.0 112.847 171.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.342 0 C-N-CA 127.154 2.181 . . . . 0.0 114.54 174.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.514 2.772 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.519 HD13 ' CG2' ' C' ' 73' ' ' VAL . 5.1 mp -130.26 -169.42 2.13 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 121.659 2.027 . . . . 0.0 111.055 -174.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t 150.3 -35.77 0.0 OUTLIER Pre-proline 0 N--CA 1.496 1.852 0 C-N-CA 130.014 3.326 . . . . 0.0 115.325 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -57.62 -176.32 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 124.554 3.502 . . . . 0.0 116.009 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.39 -27.47 1.08 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -54.61 -44.09 72.79 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.675 1.19 . . . . 0.0 113.336 171.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -58.48 -50.83 72.32 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.824 0.849 . . . . 0.0 110.51 171.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 51.1 m -57.23 -42.34 81.25 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.939 0.896 . . . . 0.0 111.737 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.16 -41.43 77.26 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.13 0.972 . . . . 0.0 112.419 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 87.2 t -67.88 -38.38 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 119.447 1.021 . . . . 0.0 111.939 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -56.95 -47.71 80.05 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.631 1.173 . . . . 0.0 111.758 169.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.76 -51.32 70.49 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.321 0.648 . . . . 0.0 111.541 175.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.59 -54.56 45.73 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.085 0.554 . . . . 0.0 112.088 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -63.83 -29.25 70.46 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.353 -0.842 . . . . 0.0 113.016 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.1 -39.38 96.24 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.461 1.029 . . . . 0.0 113.303 170.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -69.09 -38.15 78.82 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 118.526 1.163 . . . . 0.0 111.567 171.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.48 -52.88 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 124.731 1.212 . . . . 0.0 111.555 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.62 -128.7 3.98 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.382 0.992 . . . . 0.0 114.445 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.36 -21.88 51.55 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -72.9 -8.11 54.09 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 175.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.468 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -49.73 -50.13 45.37 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.097 0.862 . . . . 0.0 113.092 -178.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.41 -36.68 93.48 Favored Glycine 0 N--CA 1.471 0.997 0 CA-C-N 118.221 0.464 . . . . 0.0 113.55 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.15 -49.93 73.9 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.59 1.156 . . . . 0.0 111.386 171.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -63.54 -37.3 86.79 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.407 1.003 . . . . 0.0 112.362 175.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.4 -60.14 9.31 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 124.376 0.989 . . . . 0.0 111.639 170.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.83 -49.11 71.85 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.638 1.175 . . . . 0.0 112.242 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -59.78 -33.47 71.74 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.728 1.211 . . . . 0.0 113.17 174.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.65 -36.29 70.65 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 119.067 0.849 . . . . 0.0 111.874 174.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 mt -62.31 -49.3 76.17 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.721 0.691 . . . . 0.0 110.346 170.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -56.01 -54.2 47.7 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.117 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 69.3 mtt85 -51.58 -51.38 55.96 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 117.892 -1.051 . . . . 0.0 111.272 174.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 56.9 ttp -53.8 -44.65 70.32 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.99 0.814 . . . . 0.0 113.065 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -67.27 -25.47 66.08 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 pp -111.98 -17.91 12.76 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -175.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 81.7 p -82.49 -28.48 31.14 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.15 1.38 . . . . 0.0 112.86 164.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -141.6 70.78 25.75 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 124.868 1.267 . . . . 0.0 110.832 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -46.94 -27.92 6.46 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 124.968 3.778 . . . . 0.0 116.491 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.52 -16.15 1.39 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.787 2.035 . . . . 0.0 114.527 171.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 50.0 p -80.07 -23.28 41.44 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 120.591 -1.318 . . . . 0.0 113.699 173.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -58.91 -32.23 69.36 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 120.087 1.312 . . . . 0.0 113.675 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 15.2 t -62.87 -26.22 68.67 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -74.65 3.88 7.12 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.222 1.009 . . . . 0.0 112.604 174.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -126.48 62.75 49.61 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 127.106 2.162 . . . . 0.0 110.613 176.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -73.6 2.41 5.84 Favored 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 124.377 3.385 . . . . 0.0 115.591 -172.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -139.91 25.67 2.31 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.936 1.295 . . . . 0.0 113.017 -169.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.91 167.27 13.78 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.671 1.189 . . . . 0.0 113.56 -164.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -117.63 110.74 18.27 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.073 1.349 . . . . 0.0 109.65 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -79.99 3.81 18.92 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.895 1.278 . . . . 0.0 112.97 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 28.4 m -49.64 138.33 14.28 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.883 1.673 . . . . 0.0 112.411 175.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.41 127.53 32.52 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.886 -0.509 . . . . 0.0 111.549 -177.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.11 15.38 81.66 Favored Glycine 0 CA--C 1.538 1.493 0 CA-C-O 118.782 -1.01 . . . . 0.0 115.426 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 23.3 t -48.15 121.76 4.59 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.484 1.513 . . . . 0.0 113.539 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.35 -36.68 54.17 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.724 1.209 . . . . 0.0 112.979 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -66.92 -38.08 85.53 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.217 0.607 . . . . 0.0 111.957 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.91 -40.21 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.258 0.623 . . . . 0.0 111.209 176.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -59.82 -51.41 69.87 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.981 0.809 . . . . 0.0 110.595 172.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.93 -47.36 91.39 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 125.004 1.287 . . . . 0.0 113.348 -177.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -64.05 -40.87 97.23 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 118.043 0.921 . . . . 0.0 111.583 172.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.41 -48.56 54.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 121.198 -0.939 . . . . 0.0 113.7 171.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -57.58 -39.63 77.18 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.97 0.908 . . . . 0.0 112.152 172.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -47.95 69.14 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 176.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 66.7 t -56.53 -44.68 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 CA-C-N 120.395 1.452 . . . . 0.0 111.179 173.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . 0.468 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -59.83 -51.43 69.75 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 174.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -59.97 -34.65 73.58 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.255 0.622 . . . . 0.0 111.532 178.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 65' ' ' ALA . . . . . 0.437 ' HB2' HMA1 ' C' ' 201' ' ' HEC . . . -65.82 -36.03 82.36 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.795 -1.19 . . . . 0.0 114.058 169.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.24 -39.97 93.42 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.75 1.159 . . . . 0.0 111.286 169.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 55.7 m -60.64 -43.59 97.39 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.583 1.083 . . . . 0.0 112.376 170.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -60.76 -42.96 98.48 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.911 1.685 . . . . 0.0 112.031 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.28 -51.89 67.62 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 121.241 -0.912 . . . . 0.0 111.17 168.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 13.9 t -54.51 -31.76 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.786 1.234 . . . . 0.0 113.395 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.76 -24.86 56.1 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -138.9 19.0 2.65 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.702 1.201 . . . . 0.0 113.858 -168.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.519 ' CG2' HD13 ' C' ' 2' ' ' LEU . 7.1 p -58.66 -25.75 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 120.192 -1.567 . . . . 0.0 114.531 -170.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -80.44 -9.15 59.76 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 121.087 -1.008 . . . . 0.0 113.225 175.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -135.16 20.94 3.44 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 128.195 2.598 . . . . 0.0 111.433 -175.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 6.7 ttm -58.89 -32.7 13.6 Favored Pre-proline 0 CA--C 1.55 0.948 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 -162.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -53.6 23.62 0.02 OUTLIER 'Trans proline' 0 CA--C 1.554 1.515 1 C-N-CA 127.235 5.29 . . . . 0.0 119.014 168.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -143.75 -40.71 0.29 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 127.208 2.203 . . . . 0.0 110.821 173.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.89 80.35 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 19.1 mt -92.48 6.19 48.03 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 72.6 m -58.13 -33.27 68.99 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 120.262 1.392 . . . . 0.0 114.68 -174.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.34 -33.32 73.42 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.001 -1.062 . . . . 0.0 112.701 171.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.7 mt -80.81 -39.93 25.85 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.381 1.072 . . . . 0.0 111.386 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 93.3 p -66.81 -33.07 74.81 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 118.491 -0.766 . . . . 0.0 111.941 170.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -53.73 52.83 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.661 1.119 . . . . 0.0 111.239 168.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 31.4 tp -52.16 -65.02 0.63 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.144 0.578 . . . . 0.0 110.461 171.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -64.17 7.51 0.13 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.268 1.827 . . . . 0.0 115.329 -173.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -130.25 -34.79 1.61 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.247 1.419 . . . . 0.0 112.931 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -79.87 -34.67 39.02 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.696 0.798 . . . . 0.0 112.638 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -154.45 119.66 5.04 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.872 1.269 . . . . 0.0 111.168 -177.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 69.87 93.95 0.08 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.152 1.781 . . . . 0.0 110.113 -173.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . 0.492 HH21 HG13 ' B' ' 98' ' ' VAL . 0.0 OUTLIER -62.76 -10.76 14.02 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 117.441 2.386 . . . . 0.0 117.441 -172.375 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 38.1 t 30.56 89.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 128.412 2.685 . . . . 0.0 114.266 -173.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.13 135.31 68.17 Favored Pre-proline 0 CA--C 1.546 0.793 0 CA-C-O 117.912 -1.042 . . . . 0.0 112.087 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -45.34 -30.51 5.53 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.554 2.836 . . . . 0.0 115.833 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 5.2 p -57.07 -40.4 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 O-C-N 120.809 -1.182 . . . . 0.0 112.659 174.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . 0.542 ' HB3' HMC1 ' C' ' 201' ' ' HEC . 55.1 m-20 -68.86 -35.36 76.83 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 120.907 -1.121 . . . . 0.0 112.211 -175.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.84 -46.91 64.54 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 118.004 0.365 . . . . 0.0 110.32 168.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -63.78 -39.33 93.99 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.082 0.553 . . . . 0.0 110.504 -174.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 68.5 mt -58.85 -56.22 25.08 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.558 0.743 . . . . 0.0 111.324 172.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . 0.588 HD23 HMC3 ' C' ' 201' ' ' HEC . 0.2 OUTLIER -64.06 -37.15 86.39 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.416 -0.803 . . . . 0.0 111.585 -178.321 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 48.0 t -59.21 -48.4 81.75 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.748 1.219 . . . . 0.0 112.142 173.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -56.83 -44.08 81.71 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 121.051 -1.03 . . . . 0.0 111.615 172.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 72.3 m -63.7 -37.67 88.23 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 175.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 34.8 mt -61.16 -46.73 89.32 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.478 1.035 . . . . 0.0 111.695 172.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 74.4 mt -53.32 -47.56 69.17 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.588 1.085 . . . . 0.0 110.811 174.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 4.5 t -56.02 -48.32 78.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 118.814 -0.612 . . . . 0.0 112.435 174.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 1.4 p -67.96 -40.22 83.22 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.754 1.616 . . . . 0.0 113.351 177.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 mt -58.04 -44.04 87.15 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 119.715 1.143 . . . . 0.0 110.132 175.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.66 -31.13 64.1 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 175.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.47 -8.03 23.55 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -135.27 -43.65 0.7 Allowed 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.583 1.083 . . . . 0.0 113.84 -177.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.69 166.54 41.7 Favored Pre-proline 0 CA--C 1.564 1.509 0 CA-C-O 118.654 -0.688 . . . . 0.0 109.453 172.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -58.77 -136.4 0.0 OUTLIER 'Trans proline' 0 CA--C 1.55 1.317 1 C-N-CA 125.719 4.279 . . . . 0.0 115.796 174.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.28 27.88 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.103 0 O-C-N 119.113 -2.242 . . . . 0.0 114.643 172.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.4 -19.51 2.21 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 129.323 3.049 . . . . 0.0 117.107 -151.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 117' ' ' PHE . . . . . 0.537 ' CE2' HG12 ' D' ' 113' ' ' VAL . 20.6 p90 -74.11 37.78 0.1 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.588 1.955 . . . . 0.0 109.621 161.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.12 167.65 30.05 Favored Pre-proline 0 N--CA 1.486 1.363 0 C-N-CA 126.074 1.75 . . . . 0.0 112.16 -170.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.99 -40.01 59.13 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.035 1.823 . . . . 0.0 114.94 174.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.65 -58.45 2.8 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.894 0.478 . . . . 0.0 110.055 174.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.74 -30.21 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 120.944 -1.098 . . . . 0.0 112.627 -168.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.54 -49.84 56.47 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 120.15 1.341 . . . . 0.0 111.935 170.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.12 -39.92 79.93 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.921 0.782 . . . . 0.0 110.237 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 20.1 m -58.95 -60.88 3.15 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 125.551 1.54 . . . . 0.0 111.932 174.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 52.1 mt -64.87 -39.49 93.63 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 117.926 -1.035 . . . . 0.0 112.094 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -55.52 -56.42 20.42 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 120.421 1.464 . . . . 0.0 111.89 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -33.15 71.31 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -69.1 -50.15 50.72 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.572 1.078 . . . . 0.0 111.354 176.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.43 -39.51 87.69 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.082 0.855 . . . . 0.0 110.557 172.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.11 80.6 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.927 1.239 . . . . 0.0 113.201 172.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 12.1 p -68.38 -40.83 81.27 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.875 1.216 . . . . 0.0 112.555 171.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 78.8 t -55.13 -50.45 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 171.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 47.3 t -50.65 -62.07 1.82 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.433 1.093 . . . . 0.0 112.325 171.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 51.6 m -47.37 -34.97 7.6 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.039 1.336 . . . . 0.0 113.465 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 90.6 t -83.74 -45.2 18.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 123.565 0.746 . . . . 0.0 111.825 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.96 -27.97 69.22 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 120.967 -1.083 . . . . 0.0 113.256 175.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 36.7 p -103.34 11.25 36.89 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 127.267 2.227 . . . . 0.0 112.507 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 39.8 t -39.36 113.74 0.35 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.76 1.624 . . . . 0.0 113.074 -175.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -59.69 -39.72 85.49 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.231 1.012 . . . . 0.0 113.009 -163.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 18.7 t80 48.93 -149.52 0.2 Allowed 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 125.103 1.361 . . . . 0.0 112.999 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 . . . . . 0 C--O 1.254 1.332 0 C-N-CA 127.19 2.196 . . . . 0.0 111.428 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.301 4.8 p . . . . . 0 N--CA 1.515 2.79 0 CA-C-O 116.828 -1.558 . . . . 0.0 113.741 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -1.25 88.77 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 128.505 2.722 . . . . 0.0 115.636 -170.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.38 161.87 18.85 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.873 178.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.0 148.81 94.67 Favored Pre-proline 0 N--CA 1.477 0.9 0 CA-C-O 118.397 -0.811 . . . . 0.0 109.065 163.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -52.61 -41.83 66.11 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.462 2.774 . . . . 0.0 115.619 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -70.02 -35.61 74.47 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.366 -0.834 . . . . 0.0 112.346 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.53 -44.43 74.61 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.592 -0.693 . . . . 0.0 111.551 172.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.99 -47.12 68.46 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.113 0.965 . . . . 0.0 111.149 170.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 25.2 t -57.82 -48.34 80.03 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 118.991 0.814 . . . . 0.0 111.13 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.08 -49.96 74.25 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 11' ' ' VAL . . . . . 0.689 HG23 ' CE1' ' D' ' 130' ' ' TYR . 2.3 p -65.39 -52.05 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 119.719 1.145 . . . . 0.0 111.761 175.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -71.85 -35.76 69.96 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.074 0.852 . . . . 0.0 111.83 -164.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.61 94.08 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.648 0.658 . . . . 0.0 112.199 172.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . 0.406 ' CD2' HD23 ' D' ' 114' ' ' LEU . 3.7 tt -72.87 -34.99 67.08 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.496 -0.753 . . . . 0.0 111.656 177.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -63.58 -29.2 70.49 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 120.563 -1.335 . . . . 0.0 112.965 165.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.44 -41.22 98.11 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.32 0.962 . . . . 0.0 113.332 175.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -83.85 -18.13 38.58 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 175.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.435 HG21 HD21 ' D' ' 114' ' ' LEU . 0.3 OUTLIER -56.81 138.02 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.706 0.765 . . . . 0.0 113.004 -172.845 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -83.65 72.25 10.33 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.69 1.196 . . . . 0.0 110.298 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 75.4 t -41.76 -48.97 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 -164.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -49.67 75.02 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.952 1.301 . . . . 0.0 114.246 174.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -70.3 -55.18 9.83 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.101 0.561 . . . . 0.0 110.616 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.45 -37.39 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.607 1.163 . . . . 0.0 112.365 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.39 -42.71 27.07 Favored Glycine 0 C--N 1.339 0.729 0 C-N-CA 123.898 0.761 . . . . 0.0 111.386 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.6 -43.66 97.48 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 117.812 0.806 . . . . 0.0 112.629 170.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -43.74 87.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 118.044 0.922 . . . . 0.0 111.753 175.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.46 -50.41 59.28 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 120.636 -1.29 . . . . 0.0 112.967 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.456 HD21 ' CD2' ' D' ' 63' ' ' HIS . 13.7 tp -62.19 -46.68 87.84 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 175.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.82 -45.29 80.25 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 124.562 1.077 . . . . 0.0 113.581 175.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 30' ' ' ARG . . . . . 0.439 ' HD2' ' SD ' ' D' ' 55' ' ' MET . 3.7 mpt_? -65.83 -44.04 86.75 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.376 1.588 . . . . 0.0 111.834 174.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.84 -47.48 64.38 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 120.144 1.338 . . . . 0.0 110.768 170.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.27 2.5 0.14 Allowed 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 m -135.91 -28.08 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.784 1.633 . . . . 0.0 114.113 177.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.3 -24.01 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 CA-C-N 121.547 1.976 . . . . 0.0 111.287 165.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -128.32 68.23 76.74 Favored Pre-proline 0 CA--C 1.53 0.177 0 C-N-CA 124.11 0.964 . . . . 0.0 109.764 -169.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -61.55 -19.04 63.14 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 124.009 3.14 . . . . 0.0 114.766 -163.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -53.51 -32.15 49.16 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.181 -0.95 . . . . 0.0 113.269 167.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 81.1 p -59.27 -10.54 3.06 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 172.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -50.94 -34.68 29.74 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 117.251 -1.357 . . . . 0.0 113.859 173.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -38.32 64.16 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 122.204 2.275 . . . . 0.0 113.465 -173.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -72.87 -6.81 47.54 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.736 1.214 . . . . 0.0 113.431 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -16.57 13.42 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 172.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -50.66 -25.63 4.49 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 166.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -106.45 -28.84 10.07 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.858 1.263 . . . . 0.0 112.997 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -79.28 -17.06 55.42 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.338 0.972 . . . . 0.0 113.613 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.65 -176.46 20.03 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.051 0.834 . . . . 0.0 112.98 -169.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 27.56 -96.7 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.975 2.51 . . . . 0.0 115.271 173.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 tt 54.06 -16.34 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 128.82 2.848 . . . . 0.0 117.692 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 6.1 t -59.09 -14.93 11.45 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.998 2.119 . . . . 0.0 115.254 -170.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 18.5 p -130.0 155.2 81.01 Favored Pre-proline 0 N--CA 1.475 0.793 0 C-N-CA 124.399 1.08 . . . . 0.0 111.664 169.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -41.78 -52.93 3.62 Favored 'Trans proline' 0 CA--C 1.535 0.535 0 C-N-CA 124.791 3.661 . . . . 0.0 116.081 165.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.92 -34.88 77.46 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 122.939 0.496 . . . . 0.0 112.097 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.51 -55.76 29.5 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.138 0.426 . . . . 0.0 111.007 172.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.55 -31.19 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -173.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 55' ' ' MET . . . . . 0.439 ' SD ' ' HD2' ' D' ' 30' ' ' ARG . 2.5 tpp -76.44 -35.11 58.68 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 175.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.02 -35.29 54.1 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-N 118.337 0.517 . . . . 0.0 113.527 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -51.84 116.49 8.18 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.149 1.38 . . . . 0.0 114.136 -168.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -64.47 -28.08 62.22 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.685 2.257 . . . . 0.0 113.217 -174.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -71.1 -31.46 67.82 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 121.181 -0.949 . . . . 0.0 113.03 174.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 97.9 t -65.32 -41.44 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 O-C-N 121.616 -0.677 . . . . 0.0 110.38 167.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 19.9 mtmm -61.32 -46.45 90.23 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 118.873 0.76 . . . . 0.0 112.561 171.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.26 -47.45 79.53 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.545 1.138 . . . . 0.0 113.274 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 63' ' ' HIS . . . . . 0.456 ' CD2' HD21 ' D' ' 28' ' ' LEU . 0.7 OUTLIER -60.21 -39.05 85.22 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.073 -1.017 . . . . 0.0 110.741 169.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -47.92 -52.56 16.24 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 126.011 1.767 . . . . 0.0 114.29 167.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -55.36 -45.37 76.5 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 118.022 0.911 . . . . 0.0 111.4 173.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 45.7 mttt -63.6 -53.16 55.95 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.28 1.032 . . . . 0.0 113.362 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 6.8 p -58.65 -48.26 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 120.066 1.303 . . . . 0.0 111.708 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tt -69.2 -39.5 78.61 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.71 -0.619 . . . . 0.0 111.242 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.02 -34.57 58.24 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.443 1.02 . . . . 0.0 112.909 176.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.01 88.92 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.11 0.955 . . . . 0.0 112.538 168.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 1.7 m-30 -59.05 -40.9 86.57 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.593 -1.317 . . . . 0.0 110.988 175.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m -67.6 -42.12 82.93 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.153 0.981 . . . . 0.0 112.858 175.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -58.81 -36.68 74.89 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.553 0.741 . . . . 0.0 111.513 170.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.28 -58.14 16.1 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 123.844 0.735 . . . . 0.0 111.567 168.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.7 mt -55.18 -30.42 59.85 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 118.601 1.201 . . . . 0.0 113.936 177.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.34 -23.27 40.69 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.104 1.361 . . . . 0.0 114.668 173.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -143.64 58.44 1.37 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.442 1.897 . . . . 0.0 112.373 -173.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 91.1 mt -68.35 -7.79 34.3 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.133 -0.979 . . . . 0.0 113.268 175.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -64.79 -27.54 68.96 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.606 1.562 . . . . 0.0 115.198 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.15 90.36 0.82 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.247 1.019 . . . . 0.0 112.707 170.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 15.9 mt -59.72 -40.5 88.23 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 121.03 -1.044 . . . . 0.0 112.711 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -57.76 -28.94 64.41 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.232 1.013 . . . . 0.0 112.632 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -92.05 -48.15 3.18 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 125.091 1.329 . . . . 0.0 113.241 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.6 t -64.93 -23.14 67.14 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 118.84 1.32 . . . . 0.0 112.663 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -110.73 15.99 21.63 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.745 1.218 . . . . 0.0 113.836 175.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.41 -44.62 72.51 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 121.072 1.76 . . . . 0.0 112.931 -177.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 17.3 p -63.03 -40.81 98.85 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.71 1.204 . . . . 0.0 112.608 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 21.0 mt -68.46 -39.49 81.42 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.721 -0.612 . . . . 0.0 111.597 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 8.5 t -61.46 -46.35 90.42 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 124.336 1.055 . . . . 0.0 110.869 175.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -58.02 -49.76 75.74 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.619 0.768 . . . . 0.0 112.36 171.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 15.3 tp -51.52 -56.43 13.43 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.291 -0.88 . . . . 0.0 111.321 173.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -74.59 20.69 0.12 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.532 1.533 . . . . 0.0 113.803 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 95.8 m -136.11 -74.23 0.44 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.722 1.609 . . . . 0.0 110.858 171.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.72 -29.11 70.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.953 1.701 . . . . 0.0 113.647 -176.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.33 -44.29 8.37 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.706 0.802 . . . . 0.0 111.534 170.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.98 76.1 1.05 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.02 1.328 . . . . 0.0 113.359 -173.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -53.86 33.19 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 129.666 3.186 . . . . 0.0 115.004 163.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 98' ' ' VAL . . . . . 0.499 HG13 HH21 ' A' ' 92' ' ' ARG . 14.1 t -55.57 143.6 8.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 127.558 2.343 . . . . 0.0 112.041 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.62 126.92 1.47 Allowed Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 124.998 1.319 . . . . 0.0 113.45 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.59 -25.7 34.37 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.444 2.096 . . . . 0.0 113.883 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -59.51 -39.63 84.47 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.917 1.689 . . . . 0.0 111.136 177.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 102' ' ' ASN . . . . . 0.732 HD22 HMC1 ' D' ' 201' ' ' HEC . 27.3 t30 -57.5 -25.89 60.48 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 176.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -72.57 -45.24 60.13 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.17 0.988 . . . . 0.0 109.86 174.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.17 -44.46 83.55 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.811 1.244 . . . . 0.0 110.572 172.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.24 -46.92 86.68 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.906 0.882 . . . . 0.0 111.485 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 3.4 tt -53.76 -45.57 70.67 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.389 0.995 . . . . 0.0 110.62 174.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -52.86 -55.3 24.19 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 123.377 0.513 . . . . 0.0 113.035 172.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -58.58 -36.45 73.99 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 177.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 88.2 t -67.32 -52.67 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 O-C-N 121.246 -0.909 . . . . 0.0 110.149 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 34.1 tp -54.99 -52.59 62.62 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 118.736 0.698 . . . . 0.0 111.536 -174.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 35.0 m -56.59 -34.68 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 176.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 7.6 t -69.21 -35.7 76.49 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.878 -0.513 . . . . 0.0 111.576 177.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 113' ' ' VAL . . . . . 0.537 HG12 ' CE2' ' C' ' 117' ' ' PHE . 0.7 OUTLIER -69.25 -36.79 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 121.161 -0.962 . . . . 0.0 111.929 175.827 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 114' ' ' LEU . . . . . 0.435 HD21 HG21 ' D' ' 18' ' ' VAL . 3.7 mp -67.37 -38.47 84.82 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.946 0.793 . . . . 0.0 112.367 171.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.53 -24.5 32.29 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 169.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -53.22 6.89 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 169.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -26.46 65.15 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.008 0.822 . . . . 0.0 113.137 -174.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -133.87 23.52 3.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.991 1.316 . . . . 0.0 112.413 -170.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -46.0 -37.69 7.74 Favored Glycine 0 N--CA 1.479 1.519 0 C-N-CA 125.536 1.541 . . . . 0.0 116.646 -172.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -61.31 -30.6 70.6 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 125.215 1.406 . . . . 0.0 113.482 175.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -103.63 -11.55 17.61 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.695 1.998 . . . . 0.0 112.607 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -81.98 60.44 4.82 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.117 1.367 . . . . 0.0 112.735 -174.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 33.9 p -53.56 159.04 2.61 Favored Pre-proline 0 N--CA 1.478 0.954 0 C-N-CA 125.954 1.702 . . . . 0.0 113.349 -174.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -48.97 -49.99 13.83 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 121.89 1.727 . . . . 0.0 114.45 172.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -65.45 -22.98 58.57 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 CA-C-N 121.393 1.533 . . . . 0.0 115.197 175.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -41.24 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 CA-C-N 121.656 2.026 . . . . 0.0 111.864 175.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -58.37 -47.01 85.22 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 118.935 0.789 . . . . 0.0 110.637 174.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.05 72.11 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.44 -50.72 58.07 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.566 0.746 . . . . 0.0 109.999 175.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 130' ' ' TYR . . . . . 0.689 ' CE1' HG23 ' D' ' 11' ' ' VAL . 50.8 m-85 -55.69 -49.47 72.88 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 171.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -60.03 -34.09 72.9 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 118.689 -0.672 . . . . 0.0 112.642 -176.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -68.28 -38.32 81.58 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 171.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 19.3 t -64.7 -43.84 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 CA-C-N 120.009 1.277 . . . . 0.0 110.549 171.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 45.6 t -84.2 -30.16 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -167.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.98 92.57 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.702 1.137 . . . . 0.0 110.899 163.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.8 -49.05 81.78 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 123.815 0.722 . . . . 0.0 113.257 171.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.06 -47.36 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 124.4 1.08 . . . . 0.0 111.81 175.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.25 89.87 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.253 0.933 . . . . 0.0 111.7 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -62.02 -39.11 91.14 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.761 -0.587 . . . . 0.0 112.145 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.22 83.07 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.516 0.727 . . . . 0.0 112.017 174.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.4 -24.84 66.54 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.885 -1.134 . . . . 0.0 112.797 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.78 -2.45 57.7 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 169.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -57.84 -38.9 76.48 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 119.666 -1.896 . . . . 0.0 113.56 -175.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -69.14 6.12 1.04 Allowed 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 174.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -73.09 9.96 1.07 Allowed 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 120.173 1.351 . . . . 0.0 112.785 171.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.366 0 C-N-CA 127.182 2.193 . . . . 0.0 114.517 174.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.609 HMC3 HD23 ' A' ' 101' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 201' ' ' HEC . . . . . 0.72 HMC1 HD22 ' B' ' 102' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 201' ' ' HEC . . . . . 0.588 HMC3 HD23 ' C' ' 101' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 201' ' ' HEC . . . . . 0.732 HMC1 HD22 ' D' ' 102' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.175 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.55 -163.35 1.4 Allowed 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 121.459 1.936 . . . . 0.0 113.844 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 p -97.31 168.49 10.1 Favored Pre-proline 0 N--CA 1.481 1.115 0 C-N-CA 126.161 1.784 . . . . 0.0 112.566 -173.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -66.89 -46.62 3.17 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.733 2.288 . . . . 0.0 112.771 174.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.31 -33.6 74.62 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.157 0.583 . . . . 0.0 112.564 -172.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.77 -41.07 96.16 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-O 118.44 -0.791 . . . . 0.0 112.181 179.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -57.85 -46.84 84.2 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.756 0.707 . . . . 0.0 110.013 175.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.9 m -54.42 -47.36 72.91 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.778 0.717 . . . . 0.0 111.516 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -71.55 -33.74 69.4 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.24 -50.17 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.654 1.181 . . . . 0.0 111.147 172.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.31 -44.58 96.97 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.604 1.162 . . . . 0.0 111.271 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.23 -51.01 71.07 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.452 0.701 . . . . 0.0 111.429 176.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.21 -55.62 32.66 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.159 0.584 . . . . 0.0 111.636 174.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -62.17 -26.55 68.4 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -175.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.44 -40.98 98.19 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.689 1.138 . . . . 0.0 113.631 171.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -70.76 -38.02 73.43 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 118.462 1.131 . . . . 0.0 111.295 171.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.5 t -57.95 -50.81 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.087 0.955 . . . . 0.0 110.767 177.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.11 -128.05 3.43 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.442 1.02 . . . . 0.0 114.39 175.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.49 -23.92 64.89 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -69.78 -10.8 59.76 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.5 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -47.78 -45.7 29.65 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.336 0.971 . . . . 0.0 112.805 178.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.55 -41.92 95.92 Favored Glycine 0 C--N 1.338 0.687 0 CA-C-O 119.449 -0.639 . . . . 0.0 113.684 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -65.4 -39.38 92.13 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.008 0.904 . . . . 0.0 111.094 176.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -64.87 -39.8 94.12 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.364 -0.835 . . . . 0.0 112.58 174.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.63 -50.99 61.48 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 119.29 0.95 . . . . 0.0 112.518 169.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.88 -51.82 59.73 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.315 1.046 . . . . 0.0 112.025 177.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' HB3' HH12 ' A' ' 31' ' ' ARG . 0.4 OUTLIER -66.03 -36.12 82.41 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.812 0.845 . . . . 0.0 112.96 176.657 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.99 -41.07 97.63 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.69 1.132 . . . . 0.0 112.106 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.76 -48.85 67.81 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.327 1.051 . . . . 0.0 111.595 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -62.46 -39.97 95.1 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.243 0.544 . . . . 0.0 110.742 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.417 HH12 ' HB3' ' A' ' 27' ' ' GLU . 34.2 ttm105 -64.07 -44.5 92.2 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.009 0.924 . . . . 0.0 112.053 173.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 46.2 ttp -55.44 -47.14 76.48 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.338 0.972 . . . . 0.0 111.638 171.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -53.0 -53.84 44.04 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.915 0.78 . . . . 0.0 112.291 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.1 mt -67.98 -39.57 83.27 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 120.497 0.189 . . . . 0.0 111.256 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -76.85 -30.75 56.43 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.763 1.225 . . . . 0.0 113.034 -174.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.11 78.19 65.5 Favored Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 126.184 1.794 . . . . 0.0 109.415 177.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -46.78 -31.33 10.55 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 123.992 3.128 . . . . 0.0 114.637 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.9 -38.78 7.85 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.203 1.801 . . . . 0.0 113.737 172.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 t -57.97 -32.44 67.86 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 119.378 0.99 . . . . 0.0 113.333 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -54.7 -30.63 56.37 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.811 1.244 . . . . 0.0 112.19 176.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.41 HG21 ' CB ' ' D' ' 97' ' ' HIS . 1.9 t -59.68 -20.47 56.46 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -60.65 -18.82 55.91 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.376 0.989 . . . . 0.0 111.939 174.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 34.09 55.44 1.68 Allowed Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 126.668 1.987 . . . . 0.0 111.86 -175.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -74.46 1.65 7.18 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 123.088 2.525 . . . . 0.0 114.323 -165.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.269 0.3 OUTLIER 105.07 -1.38 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.36 1 C-N-CA 132.271 4.229 . . . . 0.0 112.838 179.914 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.43 163.66 22.78 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -128.16 134.26 49.05 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.821 2.048 . . . . 0.0 108.431 168.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.6 mt -116.14 37.43 3.69 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.371 1.468 . . . . 0.0 110.343 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.2 p -66.02 16.57 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 129.142 2.977 . . . . 0.0 116.107 -176.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 68.47 128.51 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 128.973 2.909 . . . . 0.0 113.617 -174.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.85 25.75 69.45 Favored Glycine 0 CA--C 1.54 1.648 0 O-C-N 121.338 -0.851 . . . . 0.0 114.681 -175.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -52.49 131.16 33.46 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.674 1.59 . . . . 0.0 114.231 -171.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.94 -22.86 64.82 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.974 1.31 . . . . 0.0 113.577 172.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -85.75 -39.49 17.11 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.374 0.669 . . . . 0.0 111.448 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.94 -38.03 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.149 -0.969 . . . . 0.0 112.042 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -64.04 -38.85 92.59 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 119.598 1.09 . . . . 0.0 113.622 173.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.71 -47.26 41.62 Favored Glycine 0 N--CA 1.473 1.131 0 C-N-CA 123.973 0.797 . . . . 0.0 111.861 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.47 ' HE2' ' C4D' ' A' ' 201' ' ' HEC . 47.0 t-80 -60.98 -41.68 96.9 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 122.049 -0.677 . . . . 0.0 112.318 173.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.72 -50.58 48.83 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 121.387 -0.821 . . . . 0.0 112.653 170.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -56.08 -42.85 77.35 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 118.247 1.024 . . . . 0.0 113.507 171.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.66 -53.04 60.49 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.308 -0.87 . . . . 0.0 112.57 174.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.8 t -54.37 -43.72 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 119.244 0.929 . . . . 0.0 110.782 175.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.5 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -59.41 -50.18 74.93 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.807 1.039 . . . . 0.0 113.807 174.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.49 -38.0 82.89 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.753 1.161 . . . . 0.0 112.379 176.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HB2' HMA1 ' A' ' 201' ' ' HEC . . . -64.49 -35.31 80.52 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.376 -0.827 . . . . 0.0 113.172 170.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.73 -42.81 90.58 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.46 -0.775 . . . . 0.0 111.452 170.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 49.1 m -58.0 -43.68 86.76 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.885 1.22 . . . . 0.0 111.981 171.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -55.64 -49.01 74.02 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.334 1.054 . . . . 0.0 110.664 171.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.402 ' HB1' HG22 ' A' ' 132' ' ' VAL . . . -60.47 -39.02 86.1 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 175.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.23 -45.37 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 119.928 1.24 . . . . 0.0 111.189 173.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.23 -24.5 67.36 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.142 1.377 . . . . 0.0 113.478 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -132.86 35.16 3.57 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.282 1.433 . . . . 0.0 111.359 -171.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.22 -13.39 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -165.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -120.42 8.36 10.77 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.171 1.388 . . . . 0.0 113.87 169.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -129.41 -2.02 4.96 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.97 2.108 . . . . 0.0 112.524 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.465 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 24.4 ptt? -68.94 -13.06 0.24 Allowed Pre-proline 0 CA--C 1.544 0.744 0 N-CA-C 118.165 2.654 . . . . 0.0 118.165 176.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.441 ' HA ' HG13 ' A' ' 135' ' ' VAL . 36.8 Cg_exo -42.94 -26.59 0.73 Allowed 'Trans proline' 0 C--N 1.362 1.278 0 C-N-CA 124.087 3.191 . . . . 0.0 117.42 176.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.3 p30 -119.66 -12.56 9.25 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 169.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.465 ' HB3' ' HA ' ' A' ' 76' ' ' MET . . . -72.16 -14.77 61.9 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.525 -1.359 . . . . 0.0 114.188 177.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 69.1 mt -107.85 7.57 28.22 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.815 1.246 . . . . 0.0 112.714 173.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.3 m -56.57 -39.43 73.46 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.024 1.283 . . . . 0.0 114.248 -175.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.13 -28.53 66.63 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.83 0.741 . . . . 0.0 112.92 174.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.21 -42.78 14.38 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.345 1.058 . . . . 0.0 110.435 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.6 t -53.97 -46.47 71.65 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.704 0.402 . . . . 0.0 111.332 169.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -53.96 -52.0 62.09 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.482 1.113 . . . . 0.0 112.094 170.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.421 HD21 ' CHA' ' A' ' 201' ' ' HEC . 62.1 tp -58.17 -25.28 61.33 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 177.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -95.65 -29.11 14.48 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.993 0.917 . . . . 0.0 112.877 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.91 -36.41 8.65 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.963 1.305 . . . . 0.0 113.621 -174.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -103.35 -10.04 18.97 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.878 1.671 . . . . 0.0 112.648 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -132.34 155.6 48.1 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 127.458 2.303 . . . . 0.0 108.989 171.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 mt 58.32 -20.35 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 128.194 2.598 . . . . 0.0 117.604 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.5 mmt-85 52.1 44.72 29.36 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 128.874 2.87 . . . . 0.0 111.825 -172.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 71.3 t -57.94 107.01 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.5 1.52 . . . . 0.0 109.784 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.66 139.26 37.88 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-O 119.04 -0.505 . . . . 0.0 110.889 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -44.9 -31.77 5.65 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 124.557 3.505 . . . . 0.0 116.896 -176.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.0 p -50.03 -41.7 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 CA-C-N 120.357 1.435 . . . . 0.0 112.56 175.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.426 ' CB ' HMC1 ' A' ' 201' ' ' HEC . 9.6 m120 -63.58 -31.4 72.55 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 121.128 -0.982 . . . . 0.0 112.191 178.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -49.64 77.1 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 119.339 0.972 . . . . 0.0 109.276 171.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -57.29 -43.66 83.36 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.89 0.852 . . . . 0.0 110.133 -177.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.25 -49.64 77.07 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.28 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.48 HD23 HMC3 ' A' ' 201' ' ' HEC . 0.2 OUTLIER -70.92 -38.2 72.94 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.242 -0.911 . . . . 0.0 112.402 178.397 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 95.0 p -67.93 -42.31 81.23 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.926 1.239 . . . . 0.0 112.138 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -61.06 -40.79 95.01 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.522 -0.736 . . . . 0.0 110.438 169.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 92.6 m -67.44 -20.99 65.57 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 173.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 34.3 mt -76.21 -50.62 13.99 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.939 1.245 . . . . 0.0 111.273 167.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.1 mt -48.67 -44.52 37.83 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.781 0.719 . . . . 0.0 111.184 174.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.2 t -49.42 -53.09 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.527 1.531 . . . . 0.0 114.173 167.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.08 -36.75 77.95 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 120.194 1.361 . . . . 0.0 113.012 -179.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.1 mt -61.89 -46.89 87.4 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 118.779 0.718 . . . . 0.0 109.183 173.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.87 -31.26 68.4 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 176.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.75 -9.65 55.32 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -129.26 -31.99 2.04 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -174.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.86 149.99 39.95 Favored Pre-proline 0 CA--C 1.556 1.208 0 CA-C-N 119.066 0.848 . . . . 0.0 110.997 -176.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -45.33 -51.5 7.78 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 125.103 3.868 . . . . 0.0 117.325 -163.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -148.84 39.2 0.85 Allowed 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 125.176 1.39 . . . . 0.0 110.374 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -38.92 -38.26 0.42 Allowed 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.239 2.216 . . . . 0.0 115.53 -168.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.21 8.62 0.06 Allowed 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 115.827 1.788 . . . . 0.0 115.827 174.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.97 157.27 2.18 Favored Pre-proline 0 N--CA 1.485 1.309 0 CA-C-N 120.576 1.534 . . . . 0.0 112.244 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -49.3 -57.0 2.62 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.05 1.833 . . . . 0.0 114.367 166.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.48 -33.79 76.77 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -176.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.5 t -89.56 -46.61 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 O-C-N 121.197 -0.939 . . . . 0.0 110.811 -174.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -67.19 -41.92 85.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 117.723 -1.132 . . . . 0.0 112.874 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.03 -56.73 18.22 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 119.85 1.204 . . . . 0.0 110.007 173.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.8 m -55.05 -41.68 71.76 Favored 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 124.522 1.129 . . . . 0.0 113.676 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.6 mt -73.75 -41.61 62.24 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 119.087 0.858 . . . . 0.0 113.179 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -62.25 -49.89 73.9 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.866 1.212 . . . . 0.0 110.888 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -31.68 72.93 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 174.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -62.06 -55.65 26.94 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 117.876 -1.059 . . . . 0.0 111.606 169.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 32.4 mt -60.55 -31.5 70.6 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.828 1.195 . . . . 0.0 112.038 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.23 86.87 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 168.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.4 t -69.12 -43.31 74.67 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.045 -1.66 . . . . 0.0 112.337 169.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.402 HG22 ' HB1' ' A' ' 69' ' ' ALA . 59.2 t -51.4 -51.22 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 173.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.4 p -63.18 -51.98 64.23 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 116.697 -1.621 . . . . 0.0 112.733 178.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 21.7 m -48.46 -35.65 13.4 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 121.016 1.735 . . . . 0.0 112.194 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.441 HG13 ' HA ' ' A' ' 77' ' ' PRO . 66.8 t -77.37 -47.58 26.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 123.5 0.72 . . . . 0.0 112.179 173.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -8.28 5.47 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.494 1.518 . . . . 0.0 114.293 172.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 34.6 p -126.8 17.16 7.41 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.789 2.436 . . . . 0.0 111.263 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.2 t -42.73 151.09 0.13 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.837 2.055 . . . . 0.0 112.934 169.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -39.72 -54.99 2.0 Allowed 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.608 1.963 . . . . 0.0 115.063 -155.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -159.52 -100.86 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.476 1.11 . . . . 0.0 110.093 159.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 . . . . . 0 C--O 1.256 1.416 0 C-N-CA 127.652 2.381 . . . . 0.0 113.68 179.731 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.332 3.2 p . . . . . 0 N--CA 1.515 2.81 0 CA-C-O 116.794 -1.574 . . . . 0.0 113.126 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 20.03 77.22 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 127.877 2.471 . . . . 0.0 115.434 -174.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.66 157.53 26.97 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.154 0.582 . . . . 0.0 110.506 -179.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.53 150.59 89.83 Favored Pre-proline 0 N--CA 1.482 1.148 0 CA-C-O 118.146 -0.93 . . . . 0.0 109.108 169.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -53.76 -39.36 84.09 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.526 2.151 . . . . 0.0 114.625 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.05 -46.1 79.03 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.418 0.687 . . . . 0.0 111.831 174.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.46 -43.9 79.93 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.527 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -52.62 -53.69 43.44 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.077 1.351 . . . . 0.0 110.756 168.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t -54.3 -45.71 72.61 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.553 0.615 . . . . 0.0 111.18 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.39 -55.54 33.43 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 174.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.433 HG23 ' CZ ' ' B' ' 130' ' ' TYR . 3.3 p -60.35 -56.07 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.565 1.075 . . . . 0.0 111.269 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -66.92 -35.37 79.84 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 118.76 0.709 . . . . 0.0 112.745 -172.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.18 -37.85 86.61 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 120.008 1.276 . . . . 0.0 112.272 175.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -66.7 -35.59 80.49 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.434 -0.791 . . . . 0.0 110.944 171.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -31.64 72.87 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 168.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.97 -42.64 99.63 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.57 1.081 . . . . 0.0 113.58 177.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -82.73 -20.0 36.84 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.26 139.81 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.25 1.02 . . . . 0.0 113.261 -170.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.72 92.79 9.34 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 171.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 74.4 t -56.22 -31.94 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.68 0.792 . . . . 0.0 113.066 -172.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -72.23 -48.81 40.01 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.023 1.329 . . . . 0.0 113.57 174.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -82.52 -45.35 14.79 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.253 -0.904 . . . . 0.0 111.71 -175.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -30.34 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 119.062 0.846 . . . . 0.0 111.298 172.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.46 -44.44 27.23 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 119.092 0.86 . . . . 0.0 111.732 177.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.98 -45.65 94.87 Favored Glycine 0 C--N 1.337 0.618 0 CA-C-N 117.834 0.817 . . . . 0.0 112.112 170.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -66.43 -33.35 75.51 Favored 'General case' 0 C--O 1.218 -0.58 0 O-C-N 121.531 -0.982 . . . . 0.0 112.977 173.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.73 -57.27 7.44 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 121.206 1.821 . . . . 0.0 111.471 174.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 tp -68.06 -33.5 74.67 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 118.998 -0.525 . . . . 0.0 111.186 -176.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.557 ' O ' HG13 ' B' ' 33' ' ' VAL . . . -59.01 -55.34 31.43 Favored Glycine 0 CA--C 1.525 0.676 0 CA-C-O 118.428 -1.207 . . . . 0.0 112.011 164.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -37.71 8.51 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 119.455 1.628 . . . . 0.0 110.909 177.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.468 ' HA ' HG21 ' B' ' 109' ' ' VAL . 36.9 tp -47.88 -50.76 25.53 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.583 1.083 . . . . 0.0 111.424 175.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.572 HD21 ' CE2' ' B' ' 45' ' ' PHE . 0.3 OUTLIER -96.51 -22.44 17.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 118.015 -0.993 . . . . 0.0 112.95 -173.702 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.557 HG13 ' O ' ' B' ' 29' ' ' GLY . 3.7 m -56.09 -29.48 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 CA-C-N 119.75 1.159 . . . . 0.0 112.096 -177.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.04 -2.97 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.823 1.649 . . . . 0.0 114.228 177.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 52.01 39.02 0.57 Allowed Pre-proline 0 CA--C 1.56 1.349 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -167.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -79.45 174.19 12.2 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.7 2.267 . . . . 0.0 112.149 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 12.1 p90 -55.36 -35.28 65.08 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.838 1.255 . . . . 0.0 113.773 170.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.43 -22.1 11.62 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.799 1.24 . . . . 0.0 114.148 170.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -56.77 -26.67 58.14 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.818 1.19 . . . . 0.0 113.055 172.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -54.83 -27.73 44.37 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.775 1.625 . . . . 0.0 113.174 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -86.94 7.97 25.17 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -52.15 -25.96 10.26 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 -177.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.39 -23.43 49.19 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.151 1.78 . . . . 0.0 113.614 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.7 p -60.55 -43.13 97.58 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.71 0.804 . . . . 0.0 112.125 170.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.572 ' CE2' HD21 ' B' ' 32' ' ' LEU . 10.0 m-85 -74.64 -5.21 41.77 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.575 1.55 . . . . 0.0 113.967 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.18 22.24 49.28 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.552 1.549 . . . . 0.0 115.381 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -159.07 -125.52 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.532 1.133 . . . . 0.0 110.603 -163.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.7 tt 61.93 -6.41 0.13 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 128.308 2.643 . . . . 0.0 115.402 -174.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 3.1 m -46.26 -28.86 1.4 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.93 2.092 . . . . 0.0 116.102 -173.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 7.4 p -141.38 160.99 55.09 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.843 1.657 . . . . 0.0 111.736 168.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -58.79 -42.05 56.98 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.672 2.915 . . . . 0.0 114.931 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -65.38 -35.36 80.71 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.513 -0.742 . . . . 0.0 111.861 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.29 -49.5 73.77 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 118.699 -0.667 . . . . 0.0 112.105 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -59.41 -34.63 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-N 119.9 1.227 . . . . 0.0 113.481 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 32.3 ttm -82.28 -22.17 35.85 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.06 -19.59 23.46 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.7 1.143 . . . . 0.0 114.872 177.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -56.81 120.84 40.78 Favored Pre-proline 0 CA--C 1.545 0.752 0 C-N-CA 125.58 1.552 . . . . 0.0 113.248 -173.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -57.76 -31.09 91.29 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.64 2.227 . . . . 0.0 113.274 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -67.57 -38.0 83.44 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.578 1.081 . . . . 0.0 112.786 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.54 -37.73 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.377 170.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -64.26 -49.65 71.03 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 120.153 1.342 . . . . 0.0 112.081 173.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.94 -48.96 74.48 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.419 1.087 . . . . 0.0 112.733 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.03 -36.13 82.55 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.873 -1.142 . . . . 0.0 111.006 172.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.23 -49.37 50.71 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 126.67 2.081 . . . . 0.0 113.523 168.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -58.12 -40.16 80.54 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.895 0.878 . . . . 0.0 112.062 172.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -66.24 -55.52 15.76 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.738 0.815 . . . . 0.0 112.473 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.81 -41.53 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 119.091 0.859 . . . . 0.0 112.226 176.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.6 tt -75.99 -40.06 54.57 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -53.09 -38.94 56.93 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.392 0.996 . . . . 0.0 112.32 173.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.22 74.63 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 117.487 0.643 . . . . 0.0 112.372 169.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.433 ' CE2' HD22 ' B' ' 110' ' ' LEU . 10.4 m-85 -55.3 -40.38 71.02 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 120.179 -1.576 . . . . 0.0 113.181 173.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 14.4 m -64.61 -44.52 90.3 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.202 1.001 . . . . 0.0 113.142 173.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -57.7 -32.2 67.13 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.538 0.735 . . . . 0.0 111.934 171.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.28 -62.24 6.24 Favored Glycine 0 C--N 1.34 0.79 0 C-N-CA 124.107 0.86 . . . . 0.0 111.405 168.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 9.3 mt -54.21 -30.38 49.71 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.47 1.135 . . . . 0.0 113.698 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.06 -15.66 58.72 Favored 'General case' 0 CA--C 1.555 1.147 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 173.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -150.3 42.63 0.84 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.033 1.333 . . . . 0.0 113.326 -170.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.76 -14.99 57.42 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 120.165 -1.584 . . . . 0.0 114.71 -177.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -48.4 -42.0 30.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.946 1.299 . . . . 0.0 113.07 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -154.23 115.12 4.02 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.18 1.392 . . . . 0.0 109.826 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 66.6 mt -87.78 -33.11 18.76 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.207 0.603 . . . . 0.0 112.16 174.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -65.17 -15.58 62.58 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 120.423 -1.423 . . . . 0.0 113.251 -175.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.83 -46.91 2.8 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.402 1.477 . . . . 0.0 113.76 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.6 p -72.25 -24.39 61.36 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 118.871 1.336 . . . . 0.0 113.801 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -105.69 6.78 32.23 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.877 0.871 . . . . 0.0 112.882 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.72 80.0 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 120.665 1.575 . . . . 0.0 114.304 -176.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 16.5 p -65.33 -36.73 84.92 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.234 -0.917 . . . . 0.0 111.96 172.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 21.3 mt -74.99 -34.98 62.05 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 118.071 -0.966 . . . . 0.0 112.697 177.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 55.1 p -70.45 -36.11 73.74 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 120.456 1.48 . . . . 0.0 111.366 175.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.1 -53.37 59.17 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.861 0.865 . . . . 0.0 112.145 165.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 48.8 tp -52.99 -51.81 60.41 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.445 -0.784 . . . . 0.0 111.152 175.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -78.58 19.45 0.49 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.283 1.433 . . . . 0.0 114.074 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 52.7 t -136.43 -88.51 0.3 Allowed 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 174.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.66 -21.57 1.08 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.256 2.222 . . . . 0.0 116.341 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.65 -35.92 5.63 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.602 1.161 . . . . 0.0 113.223 169.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 4.2 mt -139.97 52.73 1.68 Allowed 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 125.936 1.694 . . . . 0.0 112.558 -168.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.414 ' HB2' HG21 ' C' ' 41' ' ' THR . 15.3 m80 -58.33 29.38 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.673 0 C-N-CA 127.349 2.26 . . . . 0.0 114.935 172.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 8.6 p -46.25 142.5 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 O-C-N 118.945 -2.347 . . . . 0.0 111.005 173.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 8.7 p-10 -59.03 129.96 86.32 Favored Pre-proline 0 CA--C 1.551 1.016 0 O-C-N 120.816 -1.177 . . . . 0.0 111.991 -172.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 99' ' ' ASP . 94.5 Cg_exo -51.19 -28.09 24.69 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 124.019 3.146 . . . . 0.0 116.75 -169.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.5 -30.08 39.53 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.058 -1.026 . . . . 0.0 113.102 171.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . 0.476 ' HB3' HMC1 ' B' ' 201' ' ' HEC . 0.8 OUTLIER -63.89 -39.96 95.41 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.037 -1.039 . . . . 0.0 111.275 175.776 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -62.35 -47.37 84.5 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.499 1.045 . . . . 0.0 111.193 173.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -57.02 -43.7 82.11 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.221 1.009 . . . . 0.0 112.164 174.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mp -59.51 -52.02 67.34 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.811 0.844 . . . . 0.0 111.612 172.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.82 -33.68 68.85 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.393 0.997 . . . . 0.0 111.817 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . 0.467 ' HA2' HG11 ' B' ' 134' ' ' VAL . . . -66.47 -47.91 66.74 Favored Glycine 0 CA--C 1.524 0.622 0 O-C-N 120.959 -1.088 . . . . 0.0 114.647 173.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.27 -33.83 76.35 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 122.867 1.318 . . . . 0.0 111.965 173.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.468 HG21 ' HA ' ' B' ' 31' ' ' LEU . 3.0 t -62.49 -47.47 92.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 125.56 1.544 . . . . 0.0 112.395 175.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.433 HD22 ' CE2' ' B' ' 71' ' ' PHE . 21.4 tp -52.66 -56.81 12.79 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 124.103 0.877 . . . . 0.0 110.324 176.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 19.2 m -55.99 -44.37 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 118.326 0.512 . . . . 0.0 111.897 -174.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 50.5 t -60.42 -44.46 95.73 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.03 -1.044 . . . . 0.0 113.452 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.86 -34.67 63.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 120.528 1.513 . . . . 0.0 111.539 175.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 mt -65.07 -39.81 93.77 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 120.103 1.32 . . . . 0.0 110.299 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.28 77.77 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 174.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -61.84 -61.16 2.69 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.473 0.579 . . . . 0.0 110.46 168.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -72.98 -20.53 61.01 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -166.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -129.85 39.58 3.68 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.081 1.752 . . . . 0.0 111.588 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.81 -20.41 8.04 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 125.185 1.374 . . . . 0.0 116.203 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.44 -25.35 64.97 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 168.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -135.13 11.29 3.57 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.862 1.265 . . . . 0.0 114.096 -173.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.07 29.85 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 128.278 2.631 . . . . 0.0 117.194 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 30.1 p -46.15 148.62 1.47 Allowed Pre-proline 0 N--CA 1.483 1.219 0 C-N-CA 125.265 1.426 . . . . 0.0 113.879 -165.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -45.35 -44.97 15.91 Favored 'Trans proline' 0 CA--C 1.544 0.992 0 C-N-CA 122.304 2.003 . . . . 0.0 114.533 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -64.11 -38.47 36.45 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.02 1.814 . . . . 0.0 114.605 172.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -44.37 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 121.369 1.895 . . . . 0.0 111.846 -177.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -66.52 -41.95 88.01 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.92 -0.488 . . . . 0.0 110.773 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.81 97.64 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.724 0.81 . . . . 0.0 113.148 172.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.51 -49.85 75.92 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.23 1.012 . . . . 0.0 110.561 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.433 ' CZ ' HG23 ' B' ' 11' ' ' VAL . 34.1 m-85 -51.07 -49.66 60.19 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.824 -0.547 . . . . 0.0 112.184 167.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -34.44 74.89 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 117.657 -1.163 . . . . 0.0 113.21 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -68.16 -41.92 80.85 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 121.826 2.103 . . . . 0.0 113.643 176.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 2.2 p -63.49 -44.97 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 CA-C-N 120.239 1.382 . . . . 0.0 110.75 171.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.467 HG11 ' HA2' ' B' ' 107' ' ' GLY . 69.8 t -69.1 -31.65 51.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -177.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.38 84.68 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 120.393 1.451 . . . . 0.0 111.055 172.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.67 -43.15 94.51 Favored Glycine 0 C--N 1.342 0.875 0 N-CA-C 112.187 -0.365 . . . . 0.0 112.187 169.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.82 -43.35 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.125 0.97 . . . . 0.0 113.286 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.75 -43.44 96.44 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.836 0.744 . . . . 0.0 110.418 176.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -66.3 -32.11 73.32 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.166 0.586 . . . . 0.0 112.405 173.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.84 -44.35 85.78 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 120.422 -1.424 . . . . 0.0 111.84 171.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 6.9 mt -65.77 -41.77 91.63 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.16 -0.963 . . . . 0.0 112.0 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.76 -13.63 62.52 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 172.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -54.14 -42.61 69.74 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.241 1.382 . . . . 0.0 112.271 -174.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -61.16 -15.05 29.59 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.8 1.64 . . . . 0.0 114.511 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -76.01 -19.91 58.26 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.603 1.161 . . . . 0.0 111.723 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 . . . . . 0 C--O 1.256 1.425 0 C-N-CA 128.065 2.546 . . . . 0.0 114.559 -177.289 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.24 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.52 -163.39 1.4 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 119.521 -1.987 . . . . 0.0 113.975 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.6 p -97.27 168.56 10.0 Favored Pre-proline 0 N--CA 1.48 1.061 0 C-N-CA 126.192 1.797 . . . . 0.0 112.585 -173.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -66.99 -46.71 2.94 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.805 2.337 . . . . 0.0 112.749 174.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.29 -33.44 74.35 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.168 0.587 . . . . 0.0 112.576 -172.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -41.0 95.92 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 119.693 -0.803 . . . . 0.0 112.192 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -57.74 -46.95 83.77 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.751 0.705 . . . . 0.0 110.03 175.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 88.3 m -54.37 -47.33 72.76 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.671 0.669 . . . . 0.0 111.624 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -71.47 -34.02 69.83 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.552 -0.717 . . . . 0.0 112.767 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.08 -50.11 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.61 1.164 . . . . 0.0 111.239 172.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.35 -44.58 96.93 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.57 1.148 . . . . 0.0 111.284 175.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.35 -50.82 71.75 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.403 0.681 . . . . 0.0 111.492 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.15 -55.75 30.88 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.121 0.569 . . . . 0.0 111.707 173.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -61.98 -26.6 68.31 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -175.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.49 -40.99 98.14 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.696 1.141 . . . . 0.0 113.587 171.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -70.83 -38.04 73.23 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 118.456 1.128 . . . . 0.0 111.287 171.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 74.2 t -57.76 -50.86 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.08 0.952 . . . . 0.0 110.885 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.02 -128.06 3.34 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.46 1.029 . . . . 0.0 114.37 175.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.42 -23.95 64.79 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -69.82 -10.82 59.85 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.035 0.934 . . . . 0.0 113.48 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.496 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -47.79 -45.64 29.64 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.378 0.99 . . . . 0.0 112.889 178.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.61 -41.89 95.8 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-O 119.435 -0.647 . . . . 0.0 113.64 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -65.46 -39.28 91.82 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 117.984 0.892 . . . . 0.0 111.199 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -64.77 -39.98 94.51 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.346 -0.846 . . . . 0.0 112.587 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.47 -50.99 61.51 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 119.345 0.975 . . . . 0.0 112.635 169.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.87 -51.85 59.58 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.354 1.061 . . . . 0.0 111.961 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . 0.423 ' HB3' HH12 ' C' ' 31' ' ' ARG . 0.4 OUTLIER -66.02 -36.21 82.64 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 123.88 0.872 . . . . 0.0 112.931 176.649 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.03 97.31 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.718 1.145 . . . . 0.0 112.221 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 11.2 mt -66.91 -48.88 67.31 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.357 1.063 . . . . 0.0 111.595 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -62.3 -40.04 94.99 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.413 0.625 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.423 HH12 ' HB3' ' C' ' 27' ' ' GLU . 34.2 ttm105 -63.96 -44.63 92.2 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.102 0.961 . . . . 0.0 112.055 173.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 46.5 ttp -55.29 -47.2 75.9 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.257 0.935 . . . . 0.0 111.697 171.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -52.99 -53.83 44.22 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.914 0.779 . . . . 0.0 112.306 174.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 17.1 mt -68.04 -39.64 83.02 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.241 0.217 . . . . 0.0 111.237 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -76.87 -30.87 56.44 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.775 1.23 . . . . 0.0 112.975 -174.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -132.93 78.42 65.88 Favored Pre-proline 0 CA--C 1.544 0.728 0 C-N-CA 126.255 1.822 . . . . 0.0 109.337 177.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -46.93 -31.37 11.05 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 124.064 3.176 . . . . 0.0 114.615 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.86 -38.76 7.72 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.268 1.827 . . . . 0.0 113.664 172.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 3.1 t -57.88 -32.75 68.01 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 119.439 1.018 . . . . 0.0 113.185 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -54.56 -30.62 54.65 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.904 1.281 . . . . 0.0 112.264 176.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . 0.414 HG21 ' HB2' ' B' ' 97' ' ' HIS . 1.9 t -59.78 -20.37 56.3 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -60.72 -18.71 56.09 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.111 0.868 . . . . 0.0 112.021 174.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 33.99 55.47 1.65 Allowed Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 126.585 1.954 . . . . 0.0 111.843 -175.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -74.38 1.46 7.34 Favored 'Trans proline' 0 CA--C 1.545 1.041 0 C-N-CA 123.138 2.559 . . . . 0.0 114.4 -165.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.266 0.3 OUTLIER 105.13 -1.33 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.266 1 C-N-CA 132.283 4.233 . . . . 0.0 112.811 179.837 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.34 163.72 22.44 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -128.22 134.31 48.99 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.88 2.072 . . . . 0.0 108.478 168.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 69.2 mt -116.24 37.48 3.69 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.381 1.472 . . . . 0.0 110.307 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 46.3 p -66.12 16.58 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 129.262 3.025 . . . . 0.0 116.03 -176.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 68.47 128.53 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 128.977 2.911 . . . . 0.0 113.71 -174.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.83 25.78 69.46 Favored Glycine 0 CA--C 1.538 1.491 0 O-C-N 121.412 -0.805 . . . . 0.0 114.713 -175.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -52.61 131.43 34.37 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.639 1.576 . . . . 0.0 114.18 -171.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.16 -22.6 64.87 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.958 1.303 . . . . 0.0 113.564 172.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -86.1 -39.42 16.76 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.376 0.67 . . . . 0.0 111.461 176.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.96 -37.94 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 121.178 -0.951 . . . . 0.0 112.011 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -64.02 -38.8 92.4 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.519 1.054 . . . . 0.0 113.728 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.7 -47.26 41.71 Favored Glycine 0 N--CA 1.474 1.203 0 C-N-CA 123.984 0.802 . . . . 0.0 111.829 177.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . 0.47 ' HE2' ' C4D' ' C' ' 201' ' ' HEC . 47.2 t-80 -61.0 -41.61 96.86 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 122.048 -0.678 . . . . 0.0 112.3 173.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.79 -50.51 49.56 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 123.877 0.751 . . . . 0.0 112.79 170.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -56.21 -42.65 77.56 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.099 0.96 . . . . 0.0 113.575 171.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -53.04 60.44 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 118.952 0.797 . . . . 0.0 112.669 174.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 95.0 t -54.31 -43.74 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 119.179 0.9 . . . . 0.0 110.846 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . 0.496 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -59.25 -50.48 73.86 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 174.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.25 -38.1 82.44 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.716 1.144 . . . . 0.0 112.442 176.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 65' ' ' ALA . . . . . 0.407 ' HB2' HMA1 ' C' ' 201' ' ' HEC . . . -64.23 -35.32 80.43 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 170.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.01 -42.66 89.43 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.538 -0.726 . . . . 0.0 111.434 170.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 50.9 m -58.09 -43.73 87.23 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.826 1.194 . . . . 0.0 111.876 171.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -55.66 -48.98 74.12 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.47 1.108 . . . . 0.0 110.591 171.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 69' ' ' ALA . . . . . 0.401 ' HB1' HG22 ' C' ' 132' ' ' VAL . . . -60.52 -39.26 87.18 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 175.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 90.0 t -65.84 -45.43 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 119.932 1.242 . . . . 0.0 111.325 173.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.48 67.38 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.064 1.346 . . . . 0.0 113.503 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -133.05 35.25 3.53 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 125.141 1.376 . . . . 0.0 111.341 -171.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.31 -13.29 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 115.918 1.822 . . . . 0.0 115.918 -165.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -120.44 8.47 10.77 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.137 1.375 . . . . 0.0 113.897 169.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -129.54 -2.08 4.89 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.057 2.143 . . . . 0.0 112.519 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 76' ' ' MET . . . . . 0.464 ' HA ' ' HB3' ' C' ' 79' ' ' ALA . 24.3 ptt? -68.98 -12.95 0.23 Allowed Pre-proline 0 CA--C 1.544 0.745 0 N-CA-C 118.207 2.669 . . . . 0.0 118.207 176.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . 0.454 ' HA ' HG13 ' C' ' 135' ' ' VAL . 36.5 Cg_exo -42.95 -26.69 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 124.199 3.266 . . . . 0.0 117.473 176.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -119.67 -12.43 9.27 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 169.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 79' ' ' ALA . . . . . 0.464 ' HB3' ' HA ' ' C' ' 76' ' ' MET . . . -72.43 -14.6 61.73 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.434 -1.416 . . . . 0.0 114.079 177.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 69.0 mt -107.86 7.32 28.06 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.882 1.273 . . . . 0.0 112.756 173.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 34.6 m -56.54 -39.13 72.87 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.982 1.265 . . . . 0.0 114.395 -175.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.29 -28.6 66.92 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.817 0.735 . . . . 0.0 112.897 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 9.0 mt -85.08 -42.77 14.5 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.375 1.07 . . . . 0.0 110.448 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 21.7 t -53.94 -46.42 71.56 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.746 0.418 . . . . 0.0 111.309 169.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -54.12 -51.99 62.47 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.458 1.103 . . . . 0.0 111.922 170.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . 0.422 HD21 ' CHA' ' C' ' 201' ' ' HEC . 61.9 tp -58.29 -24.65 60.21 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 177.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -96.25 -29.12 14.2 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.111 0.964 . . . . 0.0 112.846 -178.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -102.09 -36.42 8.57 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.07 1.348 . . . . 0.0 113.667 -174.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -103.4 -9.97 18.98 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.812 1.645 . . . . 0.0 112.716 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -132.46 155.49 48.45 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.434 2.294 . . . . 0.0 108.892 171.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 mt 58.41 -20.36 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 128.095 2.558 . . . . 0.0 117.668 173.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 4.4 mmt-85 52.16 44.52 29.59 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 128.747 2.819 . . . . 0.0 111.856 -173.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 70.8 t -57.78 106.96 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.511 1.524 . . . . 0.0 109.743 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.51 139.29 38.32 Favored Pre-proline 0 CA--C 1.546 0.804 0 CA-C-O 119.06 -0.495 . . . . 0.0 110.832 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.96 -31.77 5.75 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.602 3.535 . . . . 0.0 116.939 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 7.9 p -49.97 -41.86 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 120.23 1.377 . . . . 0.0 112.547 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . 0.43 ' CB ' HMC1 ' C' ' 201' ' ' HEC . 9.6 m120 -63.36 -31.7 72.92 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 121.134 -0.979 . . . . 0.0 112.187 178.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -58.73 -49.54 77.24 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 118.251 -0.88 . . . . 0.0 109.387 171.436 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -57.29 -43.72 83.42 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.937 0.875 . . . . 0.0 110.277 -177.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 89.7 mt -59.21 -49.78 76.53 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.253 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . 0.473 HD23 HMC3 ' C' ' 201' ' ' HEC . 0.2 OUTLIER -70.92 -38.02 72.94 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.263 -0.898 . . . . 0.0 112.523 178.367 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 94.7 p -68.11 -42.21 80.59 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.964 1.257 . . . . 0.0 112.13 -175.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -61.18 -40.75 95.1 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.631 -0.668 . . . . 0.0 110.388 169.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 93.8 m -67.51 -20.85 65.49 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 173.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 35.0 mt -76.27 -50.56 14.07 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.073 1.306 . . . . 0.0 111.372 167.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 10.2 mt -48.64 -44.59 37.54 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.825 0.739 . . . . 0.0 111.143 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 4.3 t -49.53 -52.98 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.4 1.48 . . . . 0.0 114.19 167.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.01 -36.79 78.18 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.366 1.439 . . . . 0.0 112.947 -179.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.1 mt -62.04 -46.65 88.23 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.82 0.736 . . . . 0.0 109.237 173.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.99 -31.32 68.68 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 176.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.53 -9.76 55.26 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.321 1.601 . . . . 0.0 115.321 176.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -129.2 -32.11 2.04 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -174.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.72 149.92 40.0 Favored Pre-proline 0 CA--C 1.555 1.156 0 CA-C-N 119.064 0.847 . . . . 0.0 111.002 -176.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -45.35 -51.41 7.89 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 125.153 3.902 . . . . 0.0 117.214 -163.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.07 39.38 0.84 Allowed 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 125.144 1.377 . . . . 0.0 110.265 177.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -39.02 -38.24 0.43 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 127.244 2.218 . . . . 0.0 115.542 -168.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.09 8.53 0.06 Allowed 'General case' 0 CA--C 1.558 1.261 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 174.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.85 157.28 2.08 Favored Pre-proline 0 N--CA 1.486 1.359 0 CA-C-N 120.48 1.491 . . . . 0.0 112.125 -179.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -49.35 -56.96 2.65 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.172 1.915 . . . . 0.0 114.284 166.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.57 -33.75 76.64 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -176.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 62.3 t -89.72 -46.43 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.238 -0.914 . . . . 0.0 110.83 -174.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -67.3 -41.88 84.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 117.666 -1.159 . . . . 0.0 112.803 178.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.05 -56.78 17.59 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.873 1.215 . . . . 0.0 109.925 173.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 42.4 m -55.05 -41.6 71.64 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 124.453 1.101 . . . . 0.0 113.815 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 39.4 mt -73.8 -41.42 62.39 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 176.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -62.5 -49.77 74.05 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.878 1.217 . . . . 0.0 110.776 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -31.66 72.9 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 174.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -62.09 -55.7 26.31 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 117.964 -1.017 . . . . 0.0 111.645 169.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 32.7 mt -60.34 -31.61 70.47 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.884 1.22 . . . . 0.0 112.133 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.65 -37.48 87.73 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 168.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 31.0 t -68.89 -43.3 75.55 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 120.089 -1.632 . . . . 0.0 112.399 169.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 132' ' ' VAL . . . . . 0.401 HG22 ' HB1' ' C' ' 69' ' ' ALA . 60.3 t -51.48 -51.15 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 173.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 26.3 p -63.05 -52.02 64.44 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 116.822 -1.561 . . . . 0.0 112.77 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 22.2 m -48.41 -35.74 13.32 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 121.031 1.741 . . . . 0.0 112.189 177.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 135' ' ' VAL . . . . . 0.454 HG13 ' HA ' ' C' ' 77' ' ' PRO . 66.7 t -77.31 -47.67 26.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 123.632 0.773 . . . . 0.0 112.125 173.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -8.45 5.54 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.535 1.534 . . . . 0.0 114.287 172.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 34.9 p -126.74 17.03 7.46 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 127.881 2.473 . . . . 0.0 111.122 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 36.7 t -42.56 151.13 0.12 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.881 2.072 . . . . 0.0 113.029 169.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -39.85 -54.88 2.08 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.556 1.942 . . . . 0.0 115.18 -155.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -159.57 -100.97 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.415 1.086 . . . . 0.0 109.976 159.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 . . . . . 0 C--O 1.256 1.428 0 C-N-CA 127.736 2.414 . . . . 0.0 113.65 179.681 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.326 3.1 p . . . . . 0 N--CA 1.514 2.768 0 CA-C-O 116.667 -1.635 . . . . 0.0 113.112 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 19.85 77.39 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 127.889 2.475 . . . . 0.0 115.348 -174.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.77 157.38 27.71 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.161 0.584 . . . . 0.0 110.543 -179.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.53 150.6 89.8 Favored Pre-proline 0 N--CA 1.481 1.113 0 CA-C-O 118.092 -0.956 . . . . 0.0 109.181 169.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -53.69 -39.41 83.47 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.45 2.1 . . . . 0.0 114.664 175.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.97 -46.15 79.12 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.41 0.684 . . . . 0.0 111.77 174.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.42 -43.83 80.26 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 118.423 -0.798 . . . . 0.0 111.597 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -52.73 -53.51 46.82 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.058 1.343 . . . . 0.0 110.817 168.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 28.8 t -54.59 -45.55 73.62 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 118.6 0.636 . . . . 0.0 111.12 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.35 -55.58 32.94 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 174.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 11' ' ' VAL . . . . . 0.433 HG23 ' CZ ' ' D' ' 130' ' ' TYR . 3.4 p -60.38 -56.02 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 119.55 1.068 . . . . 0.0 111.135 -179.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -67.18 -35.19 79.12 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.458 -0.776 . . . . 0.0 112.654 -172.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.98 86.84 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 120.07 1.304 . . . . 0.0 112.277 175.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -66.53 -35.55 80.52 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.451 -0.781 . . . . 0.0 111.127 171.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -31.41 72.58 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 168.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.25 -42.67 99.25 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.55 1.071 . . . . 0.0 113.645 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -82.66 -19.86 37.37 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 176.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.21 139.73 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.386 1.074 . . . . 0.0 113.246 -170.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.73 92.68 9.3 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 107.589 -1.264 . . . . 0.0 107.589 171.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 75.6 t -56.3 -31.82 33.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 123.83 0.852 . . . . 0.0 112.93 -172.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -72.38 -48.57 40.54 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.95 1.3 . . . . 0.0 113.698 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -82.86 -45.2 14.54 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.305 -0.872 . . . . 0.0 111.638 -175.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.85 -30.34 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 119.2 0.909 . . . . 0.0 111.27 172.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.21 -44.58 28.33 Favored Glycine 0 C--N 1.342 0.866 0 CA-C-N 119.275 0.943 . . . . 0.0 111.715 177.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.12 -45.65 94.97 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 117.827 0.813 . . . . 0.0 112.097 170.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -66.52 -33.27 75.31 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 118.024 -0.989 . . . . 0.0 112.996 173.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.61 -57.29 7.52 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 121.332 1.878 . . . . 0.0 111.616 174.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 tp -68.12 -33.36 74.35 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 118.972 -0.537 . . . . 0.0 111.238 -176.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.564 ' O ' HG13 ' D' ' 33' ' ' VAL . . . -59.09 -55.19 32.22 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.001 164.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -37.57 8.98 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 119.464 1.632 . . . . 0.0 110.824 177.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . 0.46 ' HA ' HG21 ' D' ' 109' ' ' VAL . 36.6 tp -47.89 -50.64 25.99 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.686 1.13 . . . . 0.0 111.497 175.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . 0.562 HD21 ' CE2' ' D' ' 45' ' ' PHE . 0.3 OUTLIER -96.75 -22.5 16.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 118.053 -0.975 . . . . 0.0 112.944 -173.643 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 33' ' ' VAL . . . . . 0.564 HG13 ' O ' ' D' ' 29' ' ' GLY . 3.6 m -56.02 -29.42 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 119.718 1.145 . . . . 0.0 112.101 -178.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -2.86 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.658 1.583 . . . . 0.0 114.325 177.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 51.93 39.09 0.58 Allowed Pre-proline 0 CA--C 1.561 1.383 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -167.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -79.42 174.06 12.39 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.845 2.364 . . . . 0.0 112.265 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 12.2 p90 -55.33 -35.17 64.88 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.878 1.271 . . . . 0.0 113.85 170.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.39 -22.11 11.47 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.769 1.228 . . . . 0.0 114.215 169.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -56.98 -26.38 59.89 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.751 1.159 . . . . 0.0 113.101 173.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -54.92 -27.84 46.3 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 120.872 1.669 . . . . 0.0 113.174 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -86.89 8.08 24.53 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -52.32 -25.89 10.77 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.57 -23.25 49.58 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.014 1.725 . . . . 0.0 113.684 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 75.9 p -60.6 -43.04 97.86 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.666 0.787 . . . . 0.0 112.158 170.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . 0.562 ' CE2' HD21 ' D' ' 32' ' ' LEU . 10.2 m-85 -74.81 -5.06 41.38 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.424 1.49 . . . . 0.0 113.866 -178.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.18 22.17 49.08 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 125.609 1.576 . . . . 0.0 115.358 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -158.88 -125.4 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.591 1.156 . . . . 0.0 110.678 -163.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 7.7 tt 61.69 -6.36 0.13 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 128.169 2.588 . . . . 0.0 115.586 -174.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 3.1 m -46.31 -28.82 1.42 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.8 2.04 . . . . 0.0 116.118 -173.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 7.2 p -141.38 161.0 55.07 Favored Pre-proline 0 N--CA 1.477 0.881 0 C-N-CA 125.69 1.596 . . . . 0.0 111.65 168.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -58.77 -42.09 56.71 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.6 2.867 . . . . 0.0 114.923 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.19 -35.39 80.94 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.523 -0.736 . . . . 0.0 112.052 175.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.32 -49.47 73.81 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 118.784 -0.627 . . . . 0.0 112.066 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -59.57 -34.51 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 119.914 1.234 . . . . 0.0 113.454 -177.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 32.2 ttm -82.25 -22.14 35.94 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.26 -19.43 23.49 Favored Glycine 0 CA--C 1.54 1.609 0 C-N-CA 124.55 1.071 . . . . 0.0 114.754 177.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -56.9 120.79 40.8 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 125.579 1.552 . . . . 0.0 113.304 -173.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -57.49 -31.37 91.24 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.827 2.352 . . . . 0.0 113.226 177.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 25.8 tttp -67.57 -37.99 83.45 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.615 1.098 . . . . 0.0 112.794 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 79.5 t -68.49 -37.81 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 CA-C-O 118.356 -0.831 . . . . 0.0 111.348 170.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -64.31 -49.64 70.95 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 120.156 1.344 . . . . 0.0 112.078 173.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.96 -48.9 74.65 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.356 1.062 . . . . 0.0 112.803 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.97 -36.11 82.42 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.772 -1.205 . . . . 0.0 111.027 172.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.2 -49.48 50.1 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 126.896 2.189 . . . . 0.0 113.581 168.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -58.14 -40.19 80.66 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.83 0.852 . . . . 0.0 112.014 172.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -66.12 -55.57 15.8 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.742 0.817 . . . . 0.0 112.475 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.85 -41.6 76.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.17 0.896 . . . . 0.0 112.199 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 5.6 tt -75.75 -40.32 55.61 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.534 -0.728 . . . . 0.0 112.928 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.82 -38.96 54.93 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.415 1.007 . . . . 0.0 112.477 173.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.98 -50.13 74.94 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 117.502 0.651 . . . . 0.0 112.317 169.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . 0.429 ' CE2' HD22 ' D' ' 110' ' ' LEU . 10.4 m-85 -55.34 -40.39 71.15 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 120.224 -1.548 . . . . 0.0 113.159 173.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 14.3 m -64.71 -44.32 90.6 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.21 1.004 . . . . 0.0 113.133 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -58.06 -32.03 67.63 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.535 0.734 . . . . 0.0 111.803 171.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.04 -62.51 5.99 Favored Glycine 0 C--N 1.339 0.71 0 C-N-CA 124.235 0.921 . . . . 0.0 111.385 168.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 mt -54.21 -30.31 49.42 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.401 1.1 . . . . 0.0 113.805 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.96 -15.8 58.68 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 173.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -150.24 42.69 0.85 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.944 1.297 . . . . 0.0 113.273 -170.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 93.0 mt -63.72 -15.06 57.53 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.245 -1.534 . . . . 0.0 114.756 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -48.43 -42.08 31.17 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.942 1.297 . . . . 0.0 113.052 173.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -154.17 114.88 3.99 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.131 1.372 . . . . 0.0 109.823 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 66.4 mt -87.48 -33.17 19.11 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.273 0.629 . . . . 0.0 112.213 174.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -65.18 -15.62 62.63 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 120.348 -1.47 . . . . 0.0 113.174 -175.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.81 -46.97 2.79 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.522 1.534 . . . . 0.0 113.737 176.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.5 p -72.17 -24.79 61.49 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 118.868 1.334 . . . . 0.0 113.657 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -105.28 6.52 32.89 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.89 0.876 . . . . 0.0 112.989 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.68 -40.59 79.76 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 120.749 1.613 . . . . 0.0 114.235 -176.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 15.8 p -65.4 -36.66 84.64 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.957 -1.089 . . . . 0.0 111.917 172.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 21.5 mt -75.05 -34.98 61.89 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 118.082 -0.961 . . . . 0.0 112.671 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 55.6 p -70.45 -36.05 73.71 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 120.454 1.479 . . . . 0.0 111.409 175.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.04 -53.37 59.16 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.82 0.848 . . . . 0.0 112.237 165.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 49.0 tp -53.02 -51.83 60.42 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.333 -0.854 . . . . 0.0 111.118 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -78.65 19.46 0.49 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.278 1.431 . . . . 0.0 113.935 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 52.8 t -136.43 -88.62 0.3 Allowed 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -49.53 -21.69 1.04 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.24 2.216 . . . . 0.0 116.297 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.58 -35.81 5.67 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.545 1.138 . . . . 0.0 113.214 169.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mt -140.09 52.57 1.67 Allowed 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 125.9 1.68 . . . . 0.0 112.549 -168.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 97' ' ' HIS . . . . . 0.41 ' CB ' HG21 ' A' ' 41' ' ' THR . 15.2 m80 -58.26 29.43 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.71 0 C-N-CA 127.324 2.25 . . . . 0.0 114.895 172.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 8.6 p -46.36 142.46 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 O-C-N 118.899 -2.376 . . . . 0.0 110.908 174.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -58.91 130.02 85.94 Favored Pre-proline 0 CA--C 1.55 0.954 0 O-C-N 120.776 -1.203 . . . . 0.0 112.067 -172.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -51.3 -27.97 25.19 Favored 'Trans proline' 0 C--N 1.356 0.95 0 C-N-CA 124.121 3.214 . . . . 0.0 116.788 -169.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.74 -29.92 41.83 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.995 -1.066 . . . . 0.0 113.054 171.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 102' ' ' ASN . . . . . 0.47 ' HB3' HMC1 ' D' ' 201' ' ' HEC . 0.8 OUTLIER -63.94 -40.03 95.5 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.109 -0.994 . . . . 0.0 111.308 175.686 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -62.26 -47.51 84.04 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.505 1.048 . . . . 0.0 111.169 173.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -57.03 -43.55 82.02 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.065 0.946 . . . . 0.0 112.249 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mp -59.59 -51.86 68.02 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.668 0.787 . . . . 0.0 111.695 172.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.9 -33.67 69.0 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.358 0.981 . . . . 0.0 111.804 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 107' ' ' GLY . . . . . 0.474 ' HA2' HG11 ' D' ' 134' ' ' VAL . . . -66.31 -48.21 65.69 Favored Glycine 0 CA--C 1.526 0.735 0 O-C-N 121.067 -1.021 . . . . 0.0 114.609 173.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.05 -33.94 76.51 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 122.759 1.266 . . . . 0.0 111.967 173.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 109' ' ' VAL . . . . . 0.46 HG21 ' HA ' ' D' ' 31' ' ' LEU . 3.0 t -62.33 -47.49 92.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 125.542 1.537 . . . . 0.0 112.447 175.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . 0.429 HD22 ' CE2' ' D' ' 71' ' ' PHE . 21.3 tp -52.59 -56.89 12.19 Favored 'General case' 0 C--O 1.225 -0.185 0 C-N-CA 124.063 0.945 . . . . 0.0 110.305 176.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 18.4 m -55.95 -44.52 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-N 118.412 0.551 . . . . 0.0 111.89 -174.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 50.4 t -60.42 -44.51 95.69 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 121.029 -1.044 . . . . 0.0 113.444 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.91 -34.49 63.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 120.515 1.507 . . . . 0.0 111.666 175.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 3.7 mt -65.08 -39.75 93.66 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.208 1.367 . . . . 0.0 110.257 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.06 77.21 Favored 'General case' 0 CA--C 1.526 0.055 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 174.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -61.98 -61.16 2.68 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.531 0.605 . . . . 0.0 110.44 168.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -72.76 -20.78 61.12 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -166.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -129.86 39.58 3.68 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.063 1.745 . . . . 0.0 111.489 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.67 -20.47 7.83 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.181 1.372 . . . . 0.0 116.228 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.25 -25.64 65.28 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 168.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -134.99 11.36 3.61 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.801 1.241 . . . . 0.0 114.064 -173.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.93 29.68 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 128.324 2.65 . . . . 0.0 117.241 177.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 30.1 p -46.18 148.58 1.49 Allowed Pre-proline 0 N--CA 1.484 1.238 0 C-N-CA 125.303 1.441 . . . . 0.0 113.849 -165.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -45.33 -44.97 15.83 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 122.286 1.99 . . . . 0.0 114.522 175.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.17 -38.28 36.95 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.944 1.763 . . . . 0.0 114.554 172.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.39 -44.52 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 CA-C-N 121.388 1.904 . . . . 0.0 111.695 -177.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -66.52 -41.92 88.06 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.861 -0.524 . . . . 0.0 110.936 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.97 97.68 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.732 0.813 . . . . 0.0 113.183 172.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.71 76.45 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.194 0.997 . . . . 0.0 110.552 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 130' ' ' TYR . . . . . 0.433 ' CZ ' HG23 ' D' ' 11' ' ' VAL . 33.5 m-85 -51.3 -49.58 61.02 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.405 0.548 . . . . 0.0 112.089 167.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.02 -34.43 74.83 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 117.587 -1.197 . . . . 0.0 113.205 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -68.24 -41.77 80.69 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 121.766 2.076 . . . . 0.0 113.59 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 2.2 p -63.62 -44.95 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 120.29 1.405 . . . . 0.0 110.721 171.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 134' ' ' VAL . . . . . 0.474 HG11 ' HA2' ' D' ' 107' ' ' GLY . 68.9 t -69.08 -31.69 51.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -177.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.97 -46.49 84.37 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 120.231 -1.543 . . . . 0.0 111.029 172.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.5 -43.11 94.18 Favored Glycine 0 N--CA 1.471 0.971 0 O-C-N 122.125 -0.359 . . . . 0.0 112.258 169.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.02 -43.27 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.248 1.019 . . . . 0.0 113.203 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.32 96.6 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.497 -0.752 . . . . 0.0 110.38 176.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -66.65 -32.04 73.1 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.143 0.577 . . . . 0.0 112.28 173.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.32 86.29 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.472 -1.393 . . . . 0.0 111.879 171.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 6.9 mt -65.77 -41.8 91.61 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.101 -1.0 . . . . 0.0 111.934 174.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.84 -13.62 62.53 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 173.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -54.07 -42.61 69.47 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 120.148 1.34 . . . . 0.0 112.286 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -61.21 -15.16 31.4 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.776 1.63 . . . . 0.0 114.429 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -75.71 -20.16 58.57 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.717 1.207 . . . . 0.0 111.779 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--O 1.255 1.371 0 C-N-CA 127.976 2.51 . . . . 0.0 114.584 -177.131 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.48 HMC3 HD23 ' A' ' 101' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 201' ' ' HEC . . . . . 0.476 HMC1 ' HB3' ' B' ' 102' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 201' ' ' HEC . . . . . 0.473 HMC3 HD23 ' C' ' 101' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 201' ' ' HEC . . . . . 0.47 HMC1 ' HB3' ' D' ' 102' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.319 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.632 HD13 HG22 ' A' ' 73' ' ' VAL . 0.6 OUTLIER -152.18 171.05 18.53 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 122.46 2.391 . . . . 0.0 109.842 -177.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 168.97 -27.41 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.622 0 N-CA-C 116.899 2.185 . . . . 0.0 116.899 -178.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -58.8 -161.04 0.02 OUTLIER 'Trans proline' 0 CA--C 1.548 1.186 0 C-N-CA 124.541 3.494 . . . . 0.0 115.075 172.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -45.9 -29.92 1.56 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.907 1.283 . . . . 0.0 114.167 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -47.58 -63.43 1.06 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 168.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -50.86 -45.11 59.77 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.009 1.323 . . . . 0.0 111.133 175.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.6 m -61.01 -49.58 76.85 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.622 0.769 . . . . 0.0 112.187 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.08 -38.25 90.14 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.137 0.975 . . . . 0.0 112.012 178.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.08 -47.99 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 124.721 1.208 . . . . 0.0 111.361 172.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -61.25 -44.57 97.03 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 119.304 0.956 . . . . 0.0 111.88 173.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.13 -50.12 74.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.328 0.651 . . . . 0.0 111.054 178.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.09 -57.33 13.32 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.748 0.819 . . . . 0.0 111.262 173.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -63.49 -23.99 67.63 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -175.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.75 -40.39 98.44 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.919 1.247 . . . . 0.0 113.363 170.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -70.41 -35.67 73.57 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 118.3 1.05 . . . . 0.0 111.419 170.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.93 -29.06 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.798 1.239 . . . . 0.0 113.256 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.46 123.23 1.05 Allowed Glycine 0 CA--C 1.541 1.668 0 C-N-CA 125.239 1.4 . . . . 0.0 113.929 176.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 81.29 -42.02 0.16 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 129.323 3.049 . . . . 0.0 114.26 -173.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -77.05 -11.79 59.85 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 174.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.509 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -42.57 -52.9 4.62 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.599 1.96 . . . . 0.0 113.749 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.0 -33.2 86.59 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 119.686 -0.508 . . . . 0.0 114.084 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.87 -45.44 89.42 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.348 1.059 . . . . 0.0 109.923 173.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.461 ' HA ' HG21 ' A' ' 108' ' ' THR . 14.6 m-30 -65.98 -37.42 85.91 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.75 -49.88 73.7 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 123.236 0.446 . . . . 0.0 112.268 168.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.15 -49.17 76.76 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.286 1.043 . . . . 0.0 112.511 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.48 -38.16 90.06 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 121.669 -0.644 . . . . 0.0 112.509 174.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.34 98.98 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.631 1.105 . . . . 0.0 112.195 177.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.2 mt -62.79 -49.69 73.99 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.272 1.029 . . . . 0.0 111.535 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -57.06 -46.72 82.23 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.669 0.668 . . . . 0.0 111.981 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.3 ttm-85 -61.36 -46.09 91.65 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.906 0.882 . . . . 0.0 111.494 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 47.3 ttp -58.46 -50.92 71.98 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.144 173.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -52.42 -57.16 10.71 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.469 0.708 . . . . 0.0 111.898 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' B' ' 125' ' ' PRO . 0.6 OUTLIER -69.53 -36.17 76.16 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.258 0.481 . . . . 0.0 111.398 -174.55 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.9 t -74.87 -30.71 61.41 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -175.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.517 ' CE2' HD22 ' A' ' 100' ' ' LEU . 98.4 m-85 -136.77 71.16 57.76 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 126.055 1.742 . . . . 0.0 109.302 -175.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -61.09 -13.18 26.39 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 123.076 2.517 . . . . 0.0 113.729 -173.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.21 -36.54 1.79 Allowed 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 163.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -36.26 73.72 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-N 121.51 1.959 . . . . 0.0 113.873 173.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -17.73 30.49 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 120.82 1.645 . . . . 0.0 114.327 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.29 -20.83 59.99 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 176.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -69.57 14.87 0.09 Allowed 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.17 0.895 . . . . 0.0 113.204 177.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.6 t80 63.58 59.66 1.89 Allowed Pre-proline 0 CA--C 1.544 0.719 0 C-N-CA 127.0 2.12 . . . . 0.0 112.075 172.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -62.24 123.67 12.91 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.678 2.919 . . . . 0.0 110.641 -175.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -66.99 3.92 0.98 Allowed 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 175.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -141.01 150.23 42.77 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.74 2.016 . . . . 0.0 111.312 -167.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.04 95.1 2.97 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 166.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.494 ' H ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -59.67 1.81 0.09 Allowed 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 172.14 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 m -59.13 155.02 14.72 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.457 2.303 . . . . 0.0 113.739 -178.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -50.47 141.11 12.7 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 169.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.34 1.71 29.74 Favored Glycine 0 CA--C 1.54 1.622 0 N-CA-C 116.26 1.264 . . . . 0.0 116.26 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.7 t -60.45 136.23 57.98 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.995 1.397 . . . . 0.0 113.555 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.15 -20.71 66.18 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.172 0.989 . . . . 0.0 113.661 171.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -81.78 -41.37 21.25 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.615 0.766 . . . . 0.0 111.249 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 91.1 t -62.77 -40.56 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 123.893 0.877 . . . . 0.0 112.019 -177.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -59.49 -42.64 92.59 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.219 0.918 . . . . 0.0 113.171 174.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.33 -44.67 73.55 Favored Glycine 0 N--CA 1.472 1.09 0 C-N-CA 123.952 0.786 . . . . 0.0 112.476 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -61.25 -47.73 84.71 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 122.248 -0.56 . . . . 0.0 111.002 170.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.6 -49.6 56.89 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.476 1.036 . . . . 0.0 113.782 176.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -53.43 -46.24 69.72 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.607 1.163 . . . . 0.0 112.102 171.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -44.81 80.07 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.81 -43.71 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 119.96 1.255 . . . . 0.0 110.359 172.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.509 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -64.87 -46.11 83.19 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 118.76 -0.638 . . . . 0.0 112.569 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.47 -37.82 79.18 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.721 1.146 . . . . 0.0 112.161 173.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.03 -40.95 95.54 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 121.722 -0.611 . . . . 0.0 112.117 170.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -41.21 98.4 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 118.567 -0.73 . . . . 0.0 111.711 171.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.3 m -58.41 -42.91 88.24 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 120.202 1.364 . . . . 0.0 111.283 171.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.455 HD21 HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -66.66 -31.37 72.01 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.827 1.194 . . . . 0.0 111.957 175.011 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.42 -41.28 76.56 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-O 118.7 -0.667 . . . . 0.0 111.449 172.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.9 t -65.74 -48.79 81.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-N 120.096 1.316 . . . . 0.0 111.073 174.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.28 -30.84 65.04 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.388 1.475 . . . . 0.0 113.049 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -129.01 34.95 4.37 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 124.56 1.144 . . . . 0.0 111.315 -176.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.632 HG22 HD13 ' A' ' 2' ' ' LEU 0.257 8.6 p -57.52 -25.39 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 119.781 -1.824 . . . . 0.0 113.893 -172.006 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -94.68 -11.52 29.05 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 170.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -124.65 5.78 8.2 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.183 2.193 . . . . 0.0 112.93 -167.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -78.91 -3.72 0.07 OUTLIER Pre-proline 0 CA--C 1.548 0.892 0 N-CA-C 118.93 2.937 . . . . 0.0 118.93 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_exo -43.66 -34.07 5.22 Favored 'Trans proline' 0 C--N 1.364 1.366 0 CA-C-N 125.223 2.901 . . . . 0.0 117.058 -177.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.07 5.97 9.24 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.5 1.12 . . . . 0.0 114.003 173.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.45 -29.79 61.61 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.273 -1.517 . . . . 0.0 112.099 171.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.455 HD23 HD21 ' A' ' 68' ' ' ASN . 75.0 mt -80.89 1.57 30.25 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.498 0.719 . . . . 0.0 112.742 173.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.6 m -56.89 -31.12 64.54 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 120.469 1.486 . . . . 0.0 114.931 -177.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.51 -29.28 69.9 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 120.442 1.474 . . . . 0.0 112.759 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.404 HD12 HD22 ' A' ' 80' ' ' LEU . 5.9 mt -82.48 -38.0 24.52 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.379 1.472 . . . . 0.0 110.793 178.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.8 m -66.65 -29.21 69.18 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 124.31 1.044 . . . . 0.0 112.516 167.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.89 -47.93 67.46 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.429 1.468 . . . . 0.0 111.131 169.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 tp -50.9 -52.43 41.97 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.408 0.683 . . . . 0.0 111.483 167.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -70.18 -48.85 55.45 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 118.092 -0.956 . . . . 0.0 112.183 -175.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.46 -16.06 50.24 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 121.013 1.733 . . . . 0.0 114.646 -175.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -124.31 14.81 8.99 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.874 1.269 . . . . 0.0 113.183 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -140.68 -53.45 0.49 Allowed 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 116.114 1.894 . . . . 0.0 116.114 175.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mp -130.87 -21.92 2.67 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 116.739 2.126 . . . . 0.0 116.739 -176.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 50.64 32.08 6.48 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.734 2.013 . . . . 0.0 114.668 171.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 t -55.18 135.39 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.123 1.369 . . . . 0.0 111.913 -173.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -51.89 133.7 38.38 Favored Pre-proline 0 CA--C 1.554 1.118 0 C-N-CA 122.958 0.503 . . . . 0.0 112.354 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -47.16 -22.78 2.47 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 124.92 3.746 . . . . 0.0 116.477 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.7 p -45.73 -47.6 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 119.984 1.265 . . . . 0.0 112.005 168.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -65.98 -23.75 66.65 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 120.044 1.293 . . . . 0.0 112.438 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -60.27 -52.87 63.45 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.172 1.351 . . . . 0.0 108.981 170.546 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -56.13 -34.44 66.09 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.912 0.885 . . . . 0.0 111.262 -175.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.517 HD22 ' CE2' ' A' ' 36' ' ' PHE . 66.0 mt -68.75 -53.32 22.57 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.845 0.858 . . . . 0.0 111.836 175.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.51 -39.81 94.47 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.522 1.055 . . . . 0.0 112.065 -177.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.8 p -65.19 -42.62 93.43 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.161 0.891 . . . . 0.0 111.392 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -57.97 -50.28 73.93 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.662 0.785 . . . . 0.0 111.53 169.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 91.6 m -59.02 -37.56 77.23 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 118.325 -0.845 . . . . 0.0 113.162 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.45 -55.58 29.64 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 117.913 -1.041 . . . . 0.0 111.758 172.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.0 mt -45.82 -44.76 14.44 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.191 0.905 . . . . 0.0 111.161 175.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.66 -48.46 88.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 118.389 -0.815 . . . . 0.0 113.03 173.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -62.38 -44.15 97.14 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 120.824 1.647 . . . . 0.0 112.306 178.286 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.87 -46.49 89.21 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 122.963 0.505 . . . . 0.0 110.322 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.82 -27.8 60.57 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 173.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.64 -5.48 40.73 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 174.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -131.82 -23.58 2.26 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -173.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.7 mp -100.31 157.99 32.79 Favored Pre-proline 0 CA--C 1.555 1.167 0 C-N-CA 124.242 1.017 . . . . 0.0 110.358 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -53.34 -35.57 75.39 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 123.924 3.083 . . . . 0.0 114.808 -171.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.408 ' C ' ' H ' ' A' ' 117' ' ' PHE . . . -140.72 -56.82 0.52 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.108 1.363 . . . . 0.0 110.822 176.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 64.94 -13.79 0.11 Allowed 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.408 ' H ' ' C ' ' A' ' 115' ' ' ALA . 0.1 OUTLIER -126.5 18.02 7.53 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 126.865 2.066 . . . . 0.0 110.842 -173.575 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.2 p -54.36 163.4 1.3 Allowed Pre-proline 0 N--CA 1.486 1.366 0 C-N-CA 125.012 1.325 . . . . 0.0 110.295 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.49 ' HA ' HG21 ' B' ' 33' ' ' VAL . 36.9 Cg_exo -51.91 -41.4 63.57 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 CA-C-N 120.536 1.227 . . . . 0.0 113.913 176.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.74 -49.94 14.79 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 122.922 0.489 . . . . 0.0 111.122 174.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.4 t -70.84 -40.36 76.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 121.035 -1.04 . . . . 0.0 111.52 -168.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -45.36 93.36 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.439 1.018 . . . . 0.0 111.727 174.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.34 -55.5 30.83 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 122.895 0.478 . . . . 0.0 109.956 173.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 69.4 m -53.55 -51.1 64.0 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 126.474 1.91 . . . . 0.0 112.738 -176.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.7 mt -71.07 -44.39 65.84 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 117.969 -1.015 . . . . 0.0 112.557 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.0 -48.15 80.07 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.946 1.248 . . . . 0.0 111.669 -178.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -30.98 71.2 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 173.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -66.3 -52.97 41.91 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.795 1.18 . . . . 0.0 111.822 171.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.1 mt -59.09 -37.19 76.54 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.296 0.953 . . . . 0.0 110.23 175.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.47 -48.3 71.94 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.673 1.124 . . . . 0.0 112.112 167.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.491 ' CB ' HD11 ' A' ' 2' ' ' LEU . 22.1 m -60.01 -45.94 91.12 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 170.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 35.3 t -54.31 -51.44 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 119.478 1.036 . . . . 0.0 108.828 176.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 44.0 m -60.19 -50.48 73.49 Favored 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 125.976 1.71 . . . . 0.0 112.995 176.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 58.5 m -52.38 -41.69 63.34 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.653 1.569 . . . . 0.0 111.906 176.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 89.7 t -74.39 -38.9 47.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 122.621 0.368 . . . . 0.0 111.754 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.12 -23.57 64.0 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.433 -1.417 . . . . 0.0 113.836 174.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 59.2 p -95.63 -0.35 51.89 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.252 1.821 . . . . 0.0 111.822 171.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 58.4 m -58.49 143.73 44.69 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 122.558 1.171 . . . . 0.0 110.968 164.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -146.66 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 128.165 2.586 . . . . 0.0 111.9 175.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -52.59 -39.43 61.58 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -177.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 126.274 1.829 . . . . 0.0 112.941 -177.882 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.289 0.4 OUTLIER . . . . . 0 N--CA 1.517 2.901 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 t60 25.82 77.73 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 128.192 2.597 . . . . 0.0 115.439 -173.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.92 145.66 12.31 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.388 0.675 . . . . 0.0 112.087 -172.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.49 130.25 4.85 Favored Pre-proline 0 N--CA 1.481 1.1 0 CA-C-O 117.587 -1.197 . . . . 0.0 110.534 168.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -45.7 -43.25 18.89 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 124.26 3.307 . . . . 0.0 116.743 -169.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.54 -43.49 98.68 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 118.773 0.715 . . . . 0.0 112.28 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -70.03 -43.05 72.09 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.733 174.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -46.89 66.72 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.348 1.431 . . . . 0.0 110.657 170.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.84 -46.95 86.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 119.162 0.892 . . . . 0.0 111.152 175.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.96 -56.09 23.53 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.997 0.919 . . . . 0.0 113.225 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.88 -49.21 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 CA-C-N 119.088 0.858 . . . . 0.0 111.612 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.3 m -72.8 -38.92 67.06 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.208 0.913 . . . . 0.0 111.483 -168.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.26 -52.74 64.02 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-O 118.78 -0.628 . . . . 0.0 110.063 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.59 -37.39 87.16 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.749 -0.643 . . . . 0.0 111.889 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . 0.524 ' CZ2' ' HB3' ' B' ' 72' ' ' SER . 1.1 t90 -54.29 -47.68 72.12 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.138 0.881 . . . . 0.0 111.979 171.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.75 -8.44 7.74 Favored Glycine 0 CA--C 1.54 1.629 0 C-N-CA 125.125 1.345 . . . . 0.0 115.816 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.04 -8.51 5.97 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.978 2.111 . . . . 0.0 111.593 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.61 135.81 25.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 125.146 1.378 . . . . 0.0 110.092 173.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -85.2 84.33 7.72 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 45.9 t -52.49 -36.57 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -165.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -72.29 -36.32 68.93 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -91.1 -49.82 6.19 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.744 -0.597 . . . . 0.0 110.978 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -28.62 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 118.999 0.818 . . . . 0.0 112.277 169.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.68 -46.54 7.83 Favored Glycine 0 C--N 1.34 0.79 0 CA-C-N 119.44 1.018 . . . . 0.0 111.987 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.31 -39.99 93.39 Favored Glycine 0 N--CA 1.469 0.86 0 CA-C-N 118.104 0.952 . . . . 0.0 111.82 168.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.22 -52.08 60.53 Favored 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 124.613 1.165 . . . . 0.0 111.859 172.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.552 ' HA ' HG11 ' B' ' 113' ' ' VAL . . . -61.87 -49.76 74.95 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.913 1.688 . . . . 0.0 112.336 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.539 HD21 ' CD2' ' B' ' 63' ' ' HIS . 22.9 tp -69.79 -45.67 67.44 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 119.064 -0.493 . . . . 0.0 111.501 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.14 -45.48 95.94 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 119.482 1.037 . . . . 0.0 112.288 176.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.572 ' HA ' HG22 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -59.9 -28.34 67.49 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 117.871 -1.062 . . . . 0.0 111.567 175.675 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -53.8 32.97 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.493 1.497 . . . . 0.0 110.684 175.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.536 HD22 ' H ' ' B' ' 32' ' ' LEU . 1.0 OUTLIER -70.2 -31.0 68.25 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.993 0.517 . . . . 0.0 112.041 -179.234 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.572 HG22 ' HA ' ' B' ' 30' ' ' ARG . 1.0 OUTLIER -79.89 -10.32 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 174.833 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 98.5 t -100.48 -44.04 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-N 120.598 1.544 . . . . 0.0 110.82 176.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . 0.411 ' CZ ' HD22 ' B' ' 105' ' ' LEU . 83.6 m-85 -125.09 69.54 59.28 Favored Pre-proline 0 CA--C 1.533 0.294 0 C-N-CA 124.611 1.164 . . . . 0.0 110.574 -178.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_exo -44.12 -32.49 4.88 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.887 3.058 . . . . 0.0 115.907 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -51.05 -41.12 59.67 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.39 1.076 . . . . 0.0 113.049 174.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 75.1 p -59.91 -25.94 65.52 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.682 1.193 . . . . 0.0 112.62 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.32 -22.13 52.0 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-O 118.22 -0.895 . . . . 0.0 112.426 174.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -55.37 -33.32 63.32 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 121.245 1.838 . . . . 0.0 112.631 176.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -84.37 13.01 5.81 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 174.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 0.474 ' CG ' ' N ' ' B' ' 43' ' ' GLU . 0.8 OUTLIER -62.47 -78.27 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.908 1.231 . . . . 0.0 111.259 172.846 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.474 ' N ' ' CG ' ' B' ' 42' ' ' PHE . 40.5 mt-10 41.23 5.48 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.327 0 N-CA-C 117.906 2.558 . . . . 0.0 117.906 -165.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 92.2 p -142.11 -33.44 0.48 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.352 1.861 . . . . 0.0 114.144 -171.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.451 ' CE2' HD21 ' B' ' 32' ' ' LEU . 3.8 m-85 -50.91 -30.93 16.01 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.653 1.981 . . . . 0.0 112.99 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.56 -50.02 3.74 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.526 1.536 . . . . 0.0 114.379 165.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -92.3 -118.41 0.08 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.68 1.192 . . . . 0.0 108.172 171.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.95 -19.44 0.05 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 127.573 2.349 . . . . 0.0 116.323 -177.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 6.2 m -50.33 -25.06 3.39 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 127.048 2.139 . . . . 0.0 114.964 -176.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -132.35 157.55 77.99 Favored Pre-proline 0 N--CA 1.469 0.501 0 C-N-CA 125.848 1.659 . . . . 0.0 111.625 168.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -53.25 -50.84 12.57 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.36 3.373 . . . . 0.0 114.955 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -62.62 -35.59 80.06 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.064 0.945 . . . . 0.0 112.398 176.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.79 -38.25 88.51 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 118.6 -0.714 . . . . 0.0 112.639 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.493 HG21 HD23 ' B' ' 32' ' ' LEU . 0.5 OUTLIER -63.98 -38.17 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 CA-C-N 120.87 1.668 . . . . 0.0 112.361 177.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.66 -38.2 48.25 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.44 -15.92 78.99 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 123.756 0.693 . . . . 0.0 114.358 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -64.81 122.5 79.47 Favored Pre-proline 0 CA--C 1.547 0.848 0 CA-C-N 118.402 1.101 . . . . 0.0 112.733 -177.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -58.42 -35.49 98.62 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.167 2.578 . . . . 0.0 113.064 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -22.65 60.25 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 177.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 73.4 t -77.91 -35.94 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 CA-C-N 120.214 1.37 . . . . 0.0 110.986 169.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -60.97 -48.36 82.16 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.501 1.046 . . . . 0.0 111.606 167.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.3 -48.11 76.91 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' HIS . . . . . 0.539 ' CD2' HD21 ' B' ' 28' ' ' LEU . 1.0 OUTLIER -64.62 -36.24 83.62 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 120.533 -1.354 . . . . 0.0 111.262 171.765 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.95 -47.96 64.22 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 125.913 1.72 . . . . 0.0 113.117 172.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -59.97 -32.52 70.9 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 169.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -76.83 -47.86 20.18 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.295 1.038 . . . . 0.0 113.36 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.82 -42.88 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-N 119.814 1.188 . . . . 0.0 110.773 170.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -77.71 -34.27 52.83 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.778 -1.202 . . . . 0.0 112.772 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.06 -33.33 50.99 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.546 1.546 . . . . 0.0 113.223 167.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.42 -43.11 74.05 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.603 -0.94 . . . . 0.0 112.358 169.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -59.06 -40.99 86.86 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 120.291 1.405 . . . . 0.0 112.17 173.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . 0.524 ' HB3' ' CZ2' ' B' ' 15' ' ' TRP . 0.3 OUTLIER -66.86 -40.58 87.91 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 120.989 1.722 . . . . 0.0 114.087 171.035 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -56.87 -27.4 60.37 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.79 1.177 . . . . 0.0 111.947 169.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.14 -69.13 1.38 Allowed Glycine 0 C--N 1.339 0.714 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 164.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.32 -30.61 12.42 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -178.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.6 -14.33 58.89 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.986 1.714 . . . . 0.0 114.935 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -149.54 36.01 0.72 Allowed 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -167.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 69.4 mt -64.3 -2.45 2.18 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -79.22 -7.03 57.93 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.892 1.677 . . . . 0.0 114.217 174.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -133.55 -47.87 0.82 Allowed 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -174.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 50.22 14.93 0.16 Allowed 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 126.678 1.991 . . . . 0.0 116.36 -175.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -139.72 -60.92 0.54 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.179 -1.575 . . . . 0.0 111.281 -177.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.47 -38.27 90.49 Favored Glycine 0 N--CA 1.478 1.46 0 C-N-CA 124.098 0.856 . . . . 0.0 114.865 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.5 t -69.66 -24.97 63.69 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.418 1.109 . . . . 0.0 113.122 175.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -109.67 1.52 19.59 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 117.504 -1.236 . . . . 0.0 114.187 -174.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.11 -40.06 57.59 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 121.194 1.815 . . . . 0.0 114.265 -171.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.4 p -64.17 -44.08 93.17 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.646 1.179 . . . . 0.0 113.117 172.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 12.4 mt -66.69 -43.2 85.06 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 118.425 -0.798 . . . . 0.0 111.397 173.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 5.2 t -59.62 -40.42 87.5 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.67 1.188 . . . . 0.0 111.77 176.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.83 -54.83 40.35 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.644 0.778 . . . . 0.0 111.678 170.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 28.3 tp -52.27 -48.33 65.34 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.214 -0.929 . . . . 0.0 111.299 175.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -81.68 11.69 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 125.596 1.558 . . . . 0.0 114.292 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 40.5 t -134.18 -56.67 0.86 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.589 1.156 . . . . 0.0 111.112 175.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -74.14 -43.83 55.97 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.004 -1.06 . . . . 0.0 112.221 -175.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -84.94 -37.05 20.99 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.727 0.811 . . . . 0.0 111.723 173.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 8.6 mt -136.88 54.47 1.87 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 124.836 1.254 . . . . 0.0 113.187 -167.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -59.05 19.99 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 116.353 1.983 . . . . 0.0 116.353 177.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -41.55 136.59 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 126.197 1.799 . . . . 0.0 112.121 -178.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.57 128.86 43.91 Favored Pre-proline 0 CA--C 1.557 1.238 0 CA-C-O 118.396 -0.811 . . . . 0.0 111.826 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -44.88 -29.8 3.94 Favored 'Trans proline' 0 C--N 1.357 1.005 1 C-N-CA 125.705 4.27 . . . . 0.0 117.313 -169.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -45.87 -40.57 10.12 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.039 1.736 . . . . 0.0 112.735 171.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.68 -32.56 73.66 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.52 -1.362 . . . . 0.0 113.052 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -68.85 -47.87 64.88 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.595 1.088 . . . . 0.0 110.225 174.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -44.16 73.97 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.521 0.728 . . . . 0.0 110.683 174.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.411 HD22 ' CZ ' ' B' ' 35' ' ' TYR . 58.6 mt -59.41 -48.11 82.9 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.836 1.255 . . . . 0.0 112.941 173.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -46.67 82.11 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.9 1.227 . . . . 0.0 111.105 175.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . 0.404 ' HA3' HG11 ' B' ' 134' ' ' VAL . . . -55.47 -49.63 63.85 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 123.693 0.663 . . . . 0.0 113.793 173.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -56.89 -36.8 70.54 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.91 1.684 . . . . 0.0 111.945 176.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.34 -48.69 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 O-C-N 121.285 -0.884 . . . . 0.0 111.971 173.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 60.3 tp -53.51 -50.19 65.94 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.362 0.983 . . . . 0.0 111.229 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 22.9 m -61.78 -35.75 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.14 -38.22 82.46 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.175 0.898 . . . . 0.0 113.011 169.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . 0.552 HG11 ' HA ' ' B' ' 27' ' ' ALA . 2.1 m -74.58 -36.55 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.957 1.253 . . . . 0.0 112.902 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.57 -38.0 89.45 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.847 -0.533 . . . . 0.0 110.41 172.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.42 -35.41 77.48 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 171.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -60.68 -59.44 5.39 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.659 0.663 . . . . 0.0 110.823 168.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -76.24 -23.89 54.54 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -166.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -130.74 23.65 5.02 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.917 1.287 . . . . 0.0 113.317 -172.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -38.69 -37.0 0.51 Allowed Glycine 0 N--CA 1.48 1.616 0 N-CA-C 117.712 1.845 . . . . 0.0 117.712 -173.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -63.27 -46.59 86.11 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.247 1.419 . . . . 0.0 112.872 175.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -85.54 -23.93 27.47 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.057 1.743 . . . . 0.0 111.457 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -73.75 45.73 0.2 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.327 2.251 . . . . 0.0 112.643 169.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 3.8 t -52.61 150.57 9.1 Favored Pre-proline 0 N--CA 1.475 0.782 0 C-N-CA 124.549 1.14 . . . . 0.0 110.889 167.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . 0.275 13.4 Cg_exo -32.62 -49.65 0.36 Allowed 'Trans proline' 0 CA--C 1.55 1.285 0 C-N-CA 124.7 3.6 . . . . 0.0 117.953 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . 0.439 ' HA ' HD11 ' A' ' 34' ' ' LEU . 23.2 Cg_exo -65.82 -24.47 54.1 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.741 2.294 . . . . 0.0 116.469 -179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 1.6 t -59.75 -42.02 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 119.493 1.042 . . . . 0.0 111.685 178.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -62.96 -44.34 96.31 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.584 175.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.91 92.14 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.421 1.01 . . . . 0.0 111.586 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -56.44 -55.54 32.34 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.368 0.667 . . . . 0.0 112.44 173.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -57.82 -47.49 82.47 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 121.532 -0.73 . . . . 0.0 111.452 175.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -53.97 -34.94 61.16 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 117.355 -1.307 . . . . 0.0 113.028 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -75.51 -45.88 35.6 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 120.134 1.334 . . . . 0.0 113.378 173.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 1.3 p -62.21 -39.43 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 CA-C-N 120.835 1.652 . . . . 0.0 111.391 176.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.404 HG11 ' HA3' ' B' ' 107' ' ' GLY . 56.0 t -64.55 -39.53 85.92 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 C-N-CA 126.536 1.934 . . . . 0.0 111.351 174.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.48 96.22 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.843 1.201 . . . . 0.0 111.734 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.74 -48.67 76.0 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 174.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 2.0 t -62.43 -42.18 94.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 173.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.46 -48.73 80.48 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 120.258 1.39 . . . . 0.0 111.236 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -64.4 -33.0 74.86 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 172.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.81 66.71 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 119.523 1.056 . . . . 0.0 111.668 172.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.33 -24.59 63.93 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.391 -0.818 . . . . 0.0 111.365 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . 0.481 ' HA ' ' CE1' ' B' ' 145' ' ' TYR . . . -86.29 -1.07 57.17 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 169.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -60.0 -47.35 86.2 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 119.765 -1.834 . . . . 0.0 112.444 -175.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -57.91 -5.38 0.41 Allowed 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 145' ' ' TYR . . . . . 0.481 ' CE1' ' HA ' ' B' ' 142' ' ' ALA . 1.4 m-85 -71.79 -7.29 47.36 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.833 1.253 . . . . 0.0 111.877 178.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 C--O 1.255 1.376 0 C-N-CA 125.78 1.632 . . . . 0.0 114.528 169.606 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.369 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.622 HD13 HG22 ' C' ' 73' ' ' VAL . 0.6 OUTLIER -152.02 170.95 18.65 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 122.572 2.442 . . . . 0.0 109.914 -177.855 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 168.93 -27.3 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.622 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -58.72 -161.07 0.02 OUTLIER 'Trans proline' 0 CA--C 1.545 1.072 0 C-N-CA 124.339 3.36 . . . . 0.0 115.189 172.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -45.86 -29.93 1.53 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.958 1.303 . . . . 0.0 114.285 177.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -47.45 -63.4 1.06 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 168.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -50.97 -45.07 60.76 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.039 1.336 . . . . 0.0 111.12 175.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 96.9 m -61.01 -49.58 76.83 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.606 0.762 . . . . 0.0 112.271 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.1 -38.24 90.09 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.121 0.969 . . . . 0.0 112.023 178.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 48.6 t -62.08 -47.91 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.744 1.218 . . . . 0.0 111.395 172.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -61.25 -44.66 96.89 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.317 0.962 . . . . 0.0 111.96 173.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.95 -50.24 74.03 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.389 0.676 . . . . 0.0 111.181 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.77 -57.51 12.44 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.76 0.824 . . . . 0.0 111.358 173.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -63.55 -23.97 67.61 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -175.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.81 -40.18 98.16 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.949 1.262 . . . . 0.0 113.358 170.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -70.66 -35.6 72.94 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.239 1.019 . . . . 0.0 111.304 170.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 98.6 t -64.9 -29.15 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.788 1.235 . . . . 0.0 113.248 176.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -37.37 123.28 1.02 Allowed Glycine 0 CA--C 1.542 1.74 0 C-N-CA 125.178 1.37 . . . . 0.0 113.817 176.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 81.16 -41.98 0.17 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 129.312 3.045 . . . . 0.0 114.28 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -77.13 -11.74 59.85 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.534 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -42.38 -52.94 4.42 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.615 1.966 . . . . 0.0 113.767 -178.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.04 -33.28 86.75 Favored Glycine 0 CA--C 1.527 0.79 0 O-C-N 121.829 -0.544 . . . . 0.0 114.219 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.68 -45.6 89.37 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.385 1.074 . . . . 0.0 109.927 173.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . 0.451 ' HA ' HG21 ' C' ' 108' ' ' THR . 14.4 m-30 -65.91 -37.37 85.91 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.88 -49.71 75.55 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 123.258 0.456 . . . . 0.0 112.367 168.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.27 -49.12 77.06 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.233 1.017 . . . . 0.0 112.479 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -38.26 90.45 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 121.743 -0.598 . . . . 0.0 112.386 174.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.42 98.87 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.646 1.112 . . . . 0.0 112.254 177.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 65.4 mt -62.82 -49.43 74.93 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.128 0.971 . . . . 0.0 111.62 174.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -57.22 -46.65 82.76 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.598 0.636 . . . . 0.0 112.069 176.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 ttm-85 -61.19 -46.21 91.4 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.979 0.912 . . . . 0.0 111.568 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 47.2 ttp -58.4 -51.02 71.6 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 118.896 -0.573 . . . . 0.0 111.05 173.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -52.31 -57.25 10.34 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.544 0.738 . . . . 0.0 111.882 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.453 HD11 ' HA ' ' D' ' 125' ' ' PRO . 0.6 OUTLIER -69.53 -36.03 76.02 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.265 0.484 . . . . 0.0 111.572 -174.582 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 10.1 t -75.01 -30.63 61.18 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.432 0.693 . . . . 0.0 112.844 -175.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' PHE . . . . . 0.516 ' CE2' HD22 ' C' ' 100' ' ' LEU . 98.5 m-85 -136.77 71.0 58.05 Favored Pre-proline 0 CA--C 1.536 0.428 0 C-N-CA 126.109 1.764 . . . . 0.0 109.338 -175.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -60.91 -13.28 26.18 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.114 2.542 . . . . 0.0 113.65 -173.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.2 -36.13 1.64 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 163.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -36.57 74.78 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 121.573 1.988 . . . . 0.0 113.804 173.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -17.6 29.17 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 120.778 1.626 . . . . 0.0 114.457 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.25 -20.78 60.04 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 176.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -69.59 14.83 0.09 Allowed 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 119.103 0.865 . . . . 0.0 113.1 178.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 9.7 t80 63.56 59.73 1.89 Allowed Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 126.985 2.114 . . . . 0.0 112.07 172.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -62.3 123.64 12.85 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.68 2.92 . . . . 0.0 110.618 -175.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -66.93 3.78 1.0 Allowed 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 175.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -140.91 150.28 42.97 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.696 1.998 . . . . 0.0 111.301 -167.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.14 95.3 3.07 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 166.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.506 HD13 ' H ' ' C' ' 48' ' ' LEU . 0.0 OUTLIER -59.72 1.87 0.09 Allowed 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 115.562 1.69 . . . . 0.0 115.562 172.184 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 5.4 m -59.32 155.17 15.08 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 127.445 2.298 . . . . 0.0 113.71 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -50.67 141.28 13.03 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 169.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.31 1.74 29.65 Favored Glycine 0 CA--C 1.541 1.679 0 N-CA-C 116.223 1.249 . . . . 0.0 116.223 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 11.5 t -60.25 136.13 57.94 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.986 1.393 . . . . 0.0 113.528 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.23 -20.53 66.1 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 171.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -82.02 -41.52 20.56 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.739 0.816 . . . . 0.0 111.313 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 91.5 t -62.73 -40.39 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.765 0.826 . . . . 0.0 112.048 -177.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -59.25 -42.8 91.98 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.305 0.957 . . . . 0.0 113.178 174.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.49 -44.51 72.57 Favored Glycine 0 N--CA 1.472 1.061 0 C-N-CA 123.843 0.735 . . . . 0.0 112.486 -178.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -61.22 -47.89 84.01 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 122.204 -0.586 . . . . 0.0 110.878 170.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.43 -49.59 56.29 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 124.385 0.993 . . . . 0.0 113.913 176.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -53.35 -46.39 69.52 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.548 1.139 . . . . 0.0 112.077 171.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -44.82 80.47 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 60.8 t -57.8 -43.63 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 120.057 1.299 . . . . 0.0 110.377 171.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . 0.534 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -64.88 -46.11 83.16 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 118.634 -0.698 . . . . 0.0 112.538 178.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.39 -37.65 78.52 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.842 1.201 . . . . 0.0 112.323 173.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.3 -40.84 95.66 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.841 -0.537 . . . . 0.0 112.079 170.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -41.22 98.08 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 118.546 -0.74 . . . . 0.0 111.641 171.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 13.9 m -58.33 -42.92 87.88 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 120.298 1.408 . . . . 0.0 111.39 171.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . 0.456 HD21 HD23 ' C' ' 80' ' ' LEU . 0.0 OUTLIER -66.64 -31.26 71.83 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.892 1.224 . . . . 0.0 111.995 174.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.43 -41.82 75.81 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.336 172.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 81.9 t -65.23 -48.66 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 120.059 1.299 . . . . 0.0 111.119 174.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.46 -30.62 65.19 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.296 1.438 . . . . 0.0 113.071 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -129.37 35.02 4.29 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 124.675 1.19 . . . . 0.0 111.252 -176.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.622 HG22 HD13 ' C' ' 2' ' ' LEU 0.259 8.5 p -57.61 -25.48 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 O-C-N 119.951 -1.718 . . . . 0.0 113.779 -171.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -94.53 -11.78 28.89 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 170.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -124.52 5.96 8.28 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 127.118 2.167 . . . . 0.0 112.834 -167.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -78.86 -3.78 0.07 OUTLIER Pre-proline 0 CA--C 1.55 0.948 0 N-CA-C 118.963 2.949 . . . . 0.0 118.963 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -43.64 -34.12 5.21 Favored 'Trans proline' 0 C--N 1.362 1.286 0 CA-C-N 125.148 2.874 . . . . 0.0 117.06 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.08 6.0 9.23 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.575 1.15 . . . . 0.0 113.952 173.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.58 -29.91 61.51 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.334 -1.479 . . . . 0.0 112.156 171.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 80' ' ' LEU . . . . . 0.456 HD23 HD21 ' C' ' 68' ' ' ASN . 75.1 mt -80.88 1.65 29.92 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.458 0.703 . . . . 0.0 112.836 173.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 66.9 m -57.04 -31.08 64.79 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.63 -28.98 69.5 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 120.452 1.478 . . . . 0.0 112.854 172.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 83' ' ' LEU . . . . . 0.41 HD12 HD22 ' C' ' 80' ' ' LEU . 5.9 mt -82.65 -37.95 24.17 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.406 1.483 . . . . 0.0 110.845 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 18.9 m -66.67 -29.24 69.2 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 124.408 1.083 . . . . 0.0 112.466 167.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -68.04 -47.88 67.17 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.449 1.477 . . . . 0.0 111.038 169.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 7.2 tp -50.85 -52.49 41.04 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.439 0.696 . . . . 0.0 111.41 167.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -69.94 -50.72 39.28 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 118.185 -0.912 . . . . 0.0 112.132 -176.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.42 -16.42 54.48 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 120.955 1.707 . . . . 0.0 114.738 -175.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -124.08 14.86 9.15 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.903 1.281 . . . . 0.0 113.263 -175.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -140.78 -53.18 0.48 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 116.175 1.917 . . . . 0.0 116.175 175.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mp -131.03 -21.86 2.63 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 116.656 2.095 . . . . 0.0 116.656 -176.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 50.76 31.68 6.23 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.74 2.016 . . . . 0.0 114.704 171.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 t -54.97 135.45 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.225 1.41 . . . . 0.0 111.994 -173.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -51.87 133.59 38.2 Favored Pre-proline 0 CA--C 1.554 1.113 0 C-N-CA 122.995 0.518 . . . . 0.0 112.387 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -47.08 -22.59 2.25 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 124.891 3.728 . . . . 0.0 116.621 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 13.9 p -46.11 -47.45 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 119.882 1.219 . . . . 0.0 111.892 169.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -65.96 -23.71 66.65 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 120.046 1.294 . . . . 0.0 112.472 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -60.27 -52.94 63.14 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.131 1.332 . . . . 0.0 109.006 170.527 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -56.16 -34.38 66.11 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.797 0.839 . . . . 0.0 111.275 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 100' ' ' LEU . . . . . 0.516 HD22 ' CE2' ' C' ' 36' ' ' PHE . 66.7 mt -68.78 -53.25 22.84 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.723 0.809 . . . . 0.0 111.82 175.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -39.98 94.84 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.592 1.087 . . . . 0.0 112.126 -177.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 78.1 p -64.76 -42.86 94.82 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 119.002 0.819 . . . . 0.0 111.379 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -58.19 -50.07 74.83 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.524 0.73 . . . . 0.0 111.442 169.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 91.3 m -59.17 -37.5 77.51 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.226 -0.893 . . . . 0.0 113.137 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 46.0 mt -61.42 -55.46 31.11 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 117.988 -1.006 . . . . 0.0 111.805 172.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 15.2 mt -45.89 -44.73 14.78 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.149 0.886 . . . . 0.0 111.177 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.7 -48.42 88.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 118.339 -0.839 . . . . 0.0 113.144 173.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 108' ' ' THR . . . . . 0.451 HG21 ' HA ' ' C' ' 24' ' ' TYR . 0.2 OUTLIER -62.4 -44.03 97.41 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.86 1.664 . . . . 0.0 112.453 178.156 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.85 -46.53 89.04 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.063 0.545 . . . . 0.0 110.382 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.74 -27.78 59.92 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 173.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.71 -5.39 40.3 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 174.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -131.84 -23.72 2.24 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.659 1.725 . . . . 0.0 115.659 -173.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.8 mp -100.35 158.05 32.68 Favored Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 124.249 1.02 . . . . 0.0 110.342 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -53.47 -35.48 76.24 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 123.837 3.025 . . . . 0.0 114.802 -171.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' C' ' 117' ' ' PHE . . . -140.87 -56.78 0.51 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.023 1.329 . . . . 0.0 110.718 176.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 65.08 -13.9 0.11 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -177.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 117' ' ' PHE . . . . . 0.409 ' H ' ' C ' ' C' ' 115' ' ' ALA . 0.1 OUTLIER -126.29 17.88 7.67 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 126.904 2.081 . . . . 0.0 110.762 -173.55 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 1.1 p -54.34 163.37 1.31 Allowed Pre-proline 0 N--CA 1.488 1.445 0 C-N-CA 124.889 1.276 . . . . 0.0 110.37 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 119' ' ' PRO . . . . . 0.478 ' HA ' HG21 ' D' ' 33' ' ' VAL . 37.9 Cg_exo -51.9 -41.37 63.68 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 CA-C-N 120.465 1.202 . . . . 0.0 113.958 176.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.67 -49.93 14.94 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 122.84 0.456 . . . . 0.0 111.226 174.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 41.1 t -70.74 -40.51 76.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.096 -1.003 . . . . 0.0 111.493 -168.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.37 -45.32 93.68 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.464 1.029 . . . . 0.0 111.84 174.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.43 -55.37 32.51 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 122.865 0.466 . . . . 0.0 109.965 173.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 69.6 m -53.51 -51.21 63.57 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 126.436 1.894 . . . . 0.0 112.763 -176.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 9.7 mt -70.86 -44.61 66.02 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 117.979 -1.01 . . . . 0.0 112.553 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -62.81 -48.27 79.83 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.927 1.239 . . . . 0.0 111.667 -177.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -30.88 71.09 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 173.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -66.41 -53.08 39.91 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.789 1.177 . . . . 0.0 111.729 171.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 5.1 mt -59.08 -36.97 76.01 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.355 0.979 . . . . 0.0 110.324 175.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.59 -48.25 72.36 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.634 1.106 . . . . 0.0 112.128 167.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 131' ' ' SER . . . . . 0.482 ' CB ' HD11 ' C' ' 2' ' ' LEU . 20.9 m -60.05 -46.05 90.82 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 170.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 34.2 t -54.17 -51.49 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 119.356 0.98 . . . . 0.0 108.908 176.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 45.7 m -60.3 -50.16 74.75 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 125.918 1.687 . . . . 0.0 112.961 176.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 55.7 m -52.72 -41.45 63.98 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.719 1.599 . . . . 0.0 111.826 176.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 91.1 t -74.64 -38.92 46.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 122.713 0.405 . . . . 0.0 111.554 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.01 -23.77 64.13 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.475 -1.39 . . . . 0.0 113.863 174.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 60.8 p -95.39 -0.5 52.48 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.208 1.803 . . . . 0.0 111.789 171.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 58.4 m -58.43 143.83 44.07 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 122.464 1.126 . . . . 0.0 111.005 164.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.53 -146.72 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 128.242 2.617 . . . . 0.0 111.905 175.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -39.46 61.83 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -177.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 . . . . . 0 C--O 1.252 1.195 0 C-N-CA 126.357 1.863 . . . . 0.0 112.892 -177.765 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.286 0.4 OUTLIER . . . . . 0 N--CA 1.518 2.927 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 t60 25.71 77.7 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 128.265 2.626 . . . . 0.0 115.456 -173.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.87 145.59 12.3 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.487 0.715 . . . . 0.0 112.028 -172.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.28 130.29 4.62 Favored Pre-proline 0 N--CA 1.482 1.14 0 CA-C-O 117.609 -1.186 . . . . 0.0 110.558 168.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -45.73 -43.38 18.89 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 124.346 3.364 . . . . 0.0 116.694 -169.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.53 -43.47 98.74 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 118.801 0.728 . . . . 0.0 112.346 176.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.98 -43.04 72.29 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.788 174.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -46.82 66.67 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 120.298 1.408 . . . . 0.0 110.66 170.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -46.74 87.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 119.24 0.927 . . . . 0.0 111.148 175.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.09 -55.99 24.91 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.011 0.924 . . . . 0.0 113.126 177.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.96 -49.32 80.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 119.117 0.872 . . . . 0.0 111.569 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -72.79 -38.79 67.12 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.258 0.935 . . . . 0.0 111.512 -168.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.45 -52.77 63.8 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 118.776 -0.63 . . . . 0.0 109.902 175.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.68 -37.36 87.05 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.683 0.674 . . . . 0.0 111.815 179.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 15' ' ' TRP . . . . . 0.526 ' CZ2' ' HB3' ' D' ' 72' ' ' SER . 1.1 t90 -54.25 -47.63 72.04 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.179 0.9 . . . . 0.0 112.028 171.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.85 -8.44 7.99 Favored Glycine 0 CA--C 1.541 1.665 0 C-N-CA 125.139 1.352 . . . . 0.0 115.808 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.03 -8.42 5.98 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 126.996 2.118 . . . . 0.0 111.666 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.7 135.92 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 125.148 1.379 . . . . 0.0 110.138 173.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -85.33 84.33 7.69 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 46.0 t -52.44 -36.65 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -165.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -72.3 -36.02 68.82 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 176.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -91.48 -49.84 6.11 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.793 -0.567 . . . . 0.0 110.97 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.09 -28.58 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 119.081 0.855 . . . . 0.0 112.41 169.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.66 -46.6 7.8 Favored Glycine 0 C--N 1.341 0.815 0 CA-C-N 119.418 1.008 . . . . 0.0 112.008 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.35 -39.83 93.27 Favored Glycine 0 N--CA 1.47 0.912 0 CA-C-N 118.158 0.979 . . . . 0.0 111.836 169.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.11 -52.33 59.71 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 124.521 1.128 . . . . 0.0 111.858 172.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 27' ' ' ALA . . . . . 0.553 ' HA ' HG11 ' D' ' 113' ' ' VAL . . . -61.75 -49.55 75.95 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.887 1.676 . . . . 0.0 112.436 -178.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.539 HD21 ' CD2' ' D' ' 63' ' ' HIS . 23.4 tp -70.03 -45.6 66.84 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 119.025 -0.512 . . . . 0.0 111.459 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.15 -45.42 96.05 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 119.485 1.039 . . . . 0.0 112.263 176.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 30' ' ' ARG . . . . . 0.586 ' HA ' HG22 ' D' ' 33' ' ' VAL . 0.0 OUTLIER -59.87 -28.41 67.51 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 117.77 -1.109 . . . . 0.0 111.436 175.594 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -53.75 33.71 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 120.581 1.537 . . . . 0.0 110.645 175.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . 0.552 HD22 ' H ' ' D' ' 32' ' ' LEU . 1.0 OUTLIER -70.23 -31.05 68.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 122.894 0.478 . . . . 0.0 112.056 -179.121 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 33' ' ' VAL . . . . . 0.586 HG22 ' HA ' ' D' ' 30' ' ' ARG . 1.0 OUTLIER -79.8 -10.25 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 174.828 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 98.4 t -100.5 -44.13 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 120.688 1.585 . . . . 0.0 110.769 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 35' ' ' TYR . . . . . 0.414 ' CZ ' HD22 ' D' ' 105' ' ' LEU . 83.5 m-85 -125.07 69.68 59.43 Favored Pre-proline 0 CA--C 1.533 0.323 0 C-N-CA 124.563 1.145 . . . . 0.0 110.482 -178.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -44.23 -32.45 5.06 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.854 3.036 . . . . 0.0 115.858 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -50.93 -41.2 58.72 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.425 1.09 . . . . 0.0 113.139 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 75.3 p -59.88 -25.92 65.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.8 1.24 . . . . 0.0 112.585 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.3 -22.24 52.18 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 118.322 -0.847 . . . . 0.0 112.434 174.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -55.56 -32.99 63.46 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 121.246 1.839 . . . . 0.0 112.67 177.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -84.43 12.88 6.08 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 174.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 42' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' D' ' 43' ' ' GLU . 0.8 OUTLIER -62.39 -78.31 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.904 1.229 . . . . 0.0 111.213 172.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 43' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' D' ' 42' ' ' PHE . 41.3 mt-10 41.21 5.48 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.332 0 N-CA-C 117.977 2.584 . . . . 0.0 117.977 -165.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 92.1 p -142.14 -33.4 0.48 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.285 1.834 . . . . 0.0 114.106 -171.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . 0.454 ' CE2' HD21 ' D' ' 32' ' ' LEU . 3.7 m-85 -50.8 -31.05 15.84 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.696 1.999 . . . . 0.0 112.949 178.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.59 -50.09 3.76 Favored Glycine 0 N--CA 1.473 1.143 0 C-N-CA 125.47 1.509 . . . . 0.0 114.464 165.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -92.37 -118.32 0.08 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.628 1.171 . . . . 0.0 108.181 171.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.9 -19.45 0.05 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 127.509 2.324 . . . . 0.0 116.295 -177.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -50.32 -25.13 3.46 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 127.209 2.204 . . . . 0.0 114.894 -176.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 3.3 p -132.36 157.39 78.39 Favored Pre-proline 0 N--CA 1.468 0.444 0 C-N-CA 125.817 1.647 . . . . 0.0 111.642 168.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -53.08 -50.95 12.26 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 124.366 3.378 . . . . 0.0 114.893 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -62.52 -35.69 80.22 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.069 0.947 . . . . 0.0 112.409 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.72 -38.23 88.61 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 118.605 -0.712 . . . . 0.0 112.661 177.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . 0.494 HG21 HD23 ' D' ' 32' ' ' LEU . 0.6 OUTLIER -64.05 -38.08 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-N 120.892 1.678 . . . . 0.0 112.38 177.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -38.12 48.18 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.57 -15.85 78.87 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 123.651 0.643 . . . . 0.0 114.444 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -64.58 122.5 78.94 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-N 118.354 1.077 . . . . 0.0 112.787 -177.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -58.38 -35.47 98.65 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.266 2.644 . . . . 0.0 113.083 177.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -22.56 60.07 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 177.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 73.2 t -78.02 -36.03 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 CA-C-N 120.241 1.382 . . . . 0.0 110.941 169.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -60.77 -48.4 81.98 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.47 1.032 . . . . 0.0 111.698 167.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.18 76.53 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 63' ' ' HIS . . . . . 0.539 ' CD2' HD21 ' D' ' 28' ' ' LEU . 1.0 OUTLIER -64.51 -36.46 84.28 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 120.568 -1.333 . . . . 0.0 111.199 171.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.94 -48.0 64.07 Favored Glycine 0 N--CA 1.471 1.032 0 C-N-CA 125.984 1.755 . . . . 0.0 112.954 172.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -59.87 -32.6 70.87 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 170.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -76.94 -47.88 19.72 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.184 0.994 . . . . 0.0 113.285 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.71 -42.95 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.761 1.164 . . . . 0.0 110.931 170.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -77.6 -34.08 53.57 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.892 -1.13 . . . . 0.0 112.874 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.05 -33.6 51.28 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.568 1.556 . . . . 0.0 113.218 167.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.13 -43.11 75.04 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.607 -0.937 . . . . 0.0 112.47 169.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -58.96 -41.11 86.71 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.208 1.367 . . . . 0.0 112.325 173.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 72' ' ' SER . . . . . 0.526 ' HB3' ' CZ2' ' D' ' 15' ' ' TRP . 0.3 OUTLIER -66.73 -40.72 88.47 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 120.873 1.67 . . . . 0.0 114.055 171.055 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -56.87 -27.45 60.47 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.666 1.121 . . . . 0.0 111.929 169.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.12 -69.29 1.33 Allowed Glycine 0 C--N 1.338 0.646 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 164.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.31 -30.56 12.26 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -178.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.51 -14.42 58.89 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.994 1.718 . . . . 0.0 114.842 176.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -149.49 35.92 0.72 Allowed 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -167.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 69.7 mt -64.36 -2.41 2.2 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -79.29 -6.88 57.69 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.89 1.676 . . . . 0.0 114.181 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -133.67 -47.85 0.81 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -174.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 50.26 14.72 0.16 Allowed 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 -175.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -139.57 -60.84 0.55 Allowed 'General case' 0 N--CA 1.485 1.281 0 O-C-N 120.125 -1.609 . . . . 0.0 111.319 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.57 -38.34 91.08 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.01 0.814 . . . . 0.0 114.873 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.5 t -69.56 -25.14 63.85 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 118.429 1.114 . . . . 0.0 113.153 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -109.5 1.7 19.97 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -174.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.09 -40.15 57.72 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 121.072 1.76 . . . . 0.0 114.261 -171.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 4.3 p -64.09 -44.27 92.85 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.587 1.155 . . . . 0.0 113.039 172.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 12.4 mt -66.45 -43.35 85.81 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-O 118.567 -0.73 . . . . 0.0 111.41 173.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 5.2 t -59.5 -40.58 87.53 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.696 1.199 . . . . 0.0 111.737 176.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.75 -54.99 38.53 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.399 -0.813 . . . . 0.0 111.566 170.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 28.7 tp -52.12 -48.34 64.88 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.221 -0.924 . . . . 0.0 111.309 175.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -81.73 11.59 4.69 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 125.626 1.57 . . . . 0.0 114.23 -175.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 40.9 t -134.01 -56.71 0.87 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.696 1.198 . . . . 0.0 111.211 175.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -74.25 -43.71 55.9 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.128 -0.983 . . . . 0.0 112.175 -175.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -84.99 -37.07 20.87 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.658 0.783 . . . . 0.0 111.678 173.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 8.6 mt -136.84 54.49 1.87 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.906 1.282 . . . . 0.0 113.159 -166.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -59.14 20.1 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 116.169 1.914 . . . . 0.0 116.169 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -41.75 136.69 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 126.228 1.811 . . . . 0.0 112.01 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.51 128.86 43.35 Favored Pre-proline 0 CA--C 1.555 1.138 0 CA-C-O 118.353 -0.832 . . . . 0.0 111.898 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -45.05 -29.77 4.17 Favored 'Trans proline' 0 C--N 1.356 0.942 1 C-N-CA 125.717 4.278 . . . . 0.0 117.219 -169.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -45.73 -40.61 9.6 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.128 1.771 . . . . 0.0 112.755 171.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -32.69 73.89 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 120.468 -1.395 . . . . 0.0 112.926 178.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -68.7 -48.05 64.85 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.598 1.09 . . . . 0.0 110.224 174.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -44.15 73.64 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.556 0.742 . . . . 0.0 110.693 174.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 105' ' ' LEU . . . . . 0.414 HD22 ' CZ ' ' D' ' 35' ' ' TYR . 58.5 mt -59.56 -47.98 83.43 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.825 1.25 . . . . 0.0 112.852 173.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.12 -46.58 82.53 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.007 1.276 . . . . 0.0 111.077 175.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.61 -49.61 64.5 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 123.751 0.691 . . . . 0.0 113.688 173.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -57.04 -36.63 70.71 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.968 1.707 . . . . 0.0 111.902 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.43 -48.81 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 O-C-N 121.275 -0.891 . . . . 0.0 111.912 173.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 60.3 tp -53.4 -50.19 65.68 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.478 1.036 . . . . 0.0 111.29 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 23.2 m -61.92 -35.65 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.01 -38.3 82.27 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.193 0.906 . . . . 0.0 113.136 169.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 113' ' ' VAL . . . . . 0.553 HG11 ' HA ' ' D' ' 27' ' ' ALA . 2.1 m -74.48 -36.61 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 O-C-N 120.67 -1.269 . . . . 0.0 112.979 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.62 -38.03 89.59 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.263 0.483 . . . . 0.0 110.407 172.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.18 -35.45 77.18 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 171.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -60.77 -59.32 5.57 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.666 0.666 . . . . 0.0 110.876 168.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -76.29 -23.98 54.4 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -166.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -130.7 23.72 5.04 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.808 1.243 . . . . 0.0 113.253 -172.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -38.63 -37.1 0.51 Allowed Glycine 0 N--CA 1.48 1.623 0 N-CA-C 117.697 1.839 . . . . 0.0 117.697 -173.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -63.24 -46.64 85.99 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.294 1.438 . . . . 0.0 112.816 175.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -85.6 -23.89 27.39 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.104 1.762 . . . . 0.0 111.435 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -73.68 45.62 0.19 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.4 2.28 . . . . 0.0 112.63 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 3.8 t -52.55 150.51 9.08 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 124.649 1.18 . . . . 0.0 110.947 167.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . 0.276 13.4 Cg_exo -32.59 -49.49 0.36 Allowed 'Trans proline' 0 CA--C 1.549 1.229 0 C-N-CA 124.715 3.61 . . . . 0.0 118.06 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 125' ' ' PRO . . . . . 0.453 ' HA ' HD11 ' C' ' 34' ' ' LEU . 23.7 Cg_exo -65.81 -24.67 53.95 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.823 2.349 . . . . 0.0 116.371 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 1.6 t -59.66 -42.07 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.491 1.041 . . . . 0.0 111.704 178.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.1 -44.21 96.33 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 118.082 -0.961 . . . . 0.0 111.459 175.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.17 91.61 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.45 1.023 . . . . 0.0 111.617 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -56.28 -55.52 32.26 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.351 0.661 . . . . 0.0 112.469 173.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -57.87 -47.53 82.48 Favored 'General case' 0 C--O 1.22 -0.472 0 O-C-N 121.509 -0.745 . . . . 0.0 111.348 175.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -54.01 -34.88 61.08 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 117.459 -1.258 . . . . 0.0 113.002 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -75.42 -46.08 34.92 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 120.195 1.361 . . . . 0.0 113.357 173.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 1.3 p -62.1 -39.4 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 CA-C-N 120.906 1.685 . . . . 0.0 111.389 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 55.8 t -64.61 -39.51 85.87 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 C-N-CA 126.567 1.947 . . . . 0.0 111.375 174.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.46 96.21 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.7 1.136 . . . . 0.0 111.681 172.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.67 -48.69 75.45 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 174.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 2.0 t -62.33 -42.17 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 173.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.58 81.16 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 120.126 1.33 . . . . 0.0 111.27 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -64.38 -33.03 74.92 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 172.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.82 -51.89 66.42 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 119.515 1.052 . . . . 0.0 111.636 172.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.2 -24.81 64.08 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.458 -0.776 . . . . 0.0 111.387 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 142' ' ' ALA . . . . . 0.474 ' HA ' ' CE1' ' D' ' 145' ' ' TYR . . . -86.1 -1.05 57.03 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 169.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -59.96 -47.46 85.71 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 119.874 -1.766 . . . . 0.0 112.387 -176.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -57.91 -5.31 0.41 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 145' ' ' TYR . . . . . 0.474 ' CE1' ' HA ' ' D' ' 142' ' ' ALA . 1.4 m-85 -71.92 -7.28 47.63 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.774 1.23 . . . . 0.0 111.789 178.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 C--O 1.256 1.416 0 C-N-CA 125.683 1.593 . . . . 0.0 114.624 169.57 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.506 HBB2 HMB1 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 201' ' ' HEC . . . . . 0.403 ' HHC' HBB3 ' B' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 201' ' ' HEC . . . . . 0.527 HBB2 HMB1 ' C' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 201' ' ' HEC . . . . . 0.406 HBB3 ' HHC' ' D' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.253 5.1 p . . . . . 0 N--CA 1.515 2.796 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.3 mt -137.09 172.71 12.6 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.66 1.584 . . . . 0.0 111.012 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.81 170.14 6.97 Favored Pre-proline 0 N--CA 1.475 0.811 0 C-N-CA 125.857 1.663 . . . . 0.0 110.682 -176.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -78.79 -40.8 0.27 Allowed 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.624 2.216 . . . . 0.0 112.931 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.1 -30.18 69.29 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -177.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.62 -43.47 98.79 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 118.801 0.728 . . . . 0.0 110.816 174.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -54.94 -49.75 70.59 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.934 0.894 . . . . 0.0 111.043 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.8 m -57.82 -44.28 86.32 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.806 0.842 . . . . 0.0 111.611 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -68.79 -35.37 76.95 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 177.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.0 t -65.9 -50.13 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 119.162 0.892 . . . . 0.0 110.992 172.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -58.64 -44.2 89.97 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.205 0.911 . . . . 0.0 111.334 176.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.12 -51.4 69.46 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.401 0.68 . . . . 0.0 111.825 175.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.06 -54.12 45.96 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.706 0.685 . . . . 0.0 112.254 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -61.92 -27.67 68.99 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.878 0.871 . . . . 0.0 112.916 -177.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.43 -36.89 93.98 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.218 0.913 . . . . 0.0 113.688 170.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -74.91 -35.0 62.22 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 118.438 1.119 . . . . 0.0 111.673 172.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.49 -51.03 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.144 0.978 . . . . 0.0 111.183 174.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.73 -133.79 9.24 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.274 0.94 . . . . 0.0 113.867 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.91 -22.25 47.65 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 178.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -70.73 -6.91 41.0 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 175.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.72 -43.28 57.88 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 120.772 -1.205 . . . . 0.0 112.67 176.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.44 -48.28 75.42 Favored Glycine 0 C--N 1.341 0.806 0 C-N-CA 123.461 0.553 . . . . 0.0 113.643 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -66.75 -35.3 79.79 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.05 0.925 . . . . 0.0 111.739 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -65.63 -35.75 81.71 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.265 0.938 . . . . 0.0 112.536 173.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.21 -46.59 70.33 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 119.43 1.013 . . . . 0.0 112.619 171.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.87 -49.73 74.59 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.934 0.894 . . . . 0.0 111.687 175.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -54.97 -48.84 72.71 Favored 'General case' 0 C--O 1.227 -0.107 0 C-N-CA 125.216 1.406 . . . . 0.0 111.898 170.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -62.53 -38.32 89.55 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.957 0.799 . . . . 0.0 112.852 -175.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.16 -51.51 66.13 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.283 1.033 . . . . 0.0 111.65 173.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -55.06 -53.24 58.39 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.639 -0.663 . . . . 0.0 111.698 173.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.6 mtt-85 -52.62 -40.43 62.74 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.74 1.216 . . . . 0.0 112.137 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.4 tmm? -59.9 -47.93 83.76 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.167 0.894 . . . . 0.0 112.058 173.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -61.64 -37.25 83.31 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.96 -35.45 14.69 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 178.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.5 m -71.16 -15.82 62.5 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.658 1.117 . . . . 0.0 113.197 176.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -142.43 79.37 15.61 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 125.201 1.4 . . . . 0.0 109.854 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -49.74 -27.83 16.19 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 123.946 3.097 . . . . 0.0 115.274 -178.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -32.71 9.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.013 1.725 . . . . 0.0 114.02 171.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -18.12 59.38 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 178.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -60.82 -27.4 68.03 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 120.409 1.459 . . . . 0.0 114.205 -176.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.7 t -57.51 -28.98 63.94 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 173.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -32.83 74.39 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-O 117.934 -1.031 . . . . 0.0 113.623 -175.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.3 t80 5.13 77.53 0.05 OUTLIER Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 128.869 2.868 . . . . 0.0 114.599 172.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -64.0 -57.06 0.38 Allowed 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 122.177 1.918 . . . . 0.0 111.846 -172.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -169.24 9.8 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 126.494 1.918 . . . . 0.0 113.567 174.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.12 140.74 41.95 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.758 -1.214 . . . . 0.0 112.996 -167.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.0 -42.21 76.77 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.2 mt 46.84 26.73 0.6 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.057 1.743 . . . . 0.0 114.652 -172.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.3 m -74.78 28.32 0.09 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.004 2.122 . . . . 0.0 115.19 -175.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 74.3 t60 62.14 136.37 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 127.93 2.492 . . . . 0.0 113.923 -166.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.82 16.78 64.26 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 124.052 0.834 . . . . 0.0 114.88 -177.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.7 m -55.54 112.01 1.03 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.97 2.108 . . . . 0.0 114.208 -170.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.83 -36.23 64.78 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -176.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -64.34 -35.64 81.54 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.552 -0.717 . . . . 0.0 112.644 175.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.09 -35.91 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 O-C-N 121.541 -0.725 . . . . 0.0 110.959 174.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -63.04 -49.05 76.1 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 119.152 0.887 . . . . 0.0 111.559 172.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.31 -52.7 47.58 Favored Glycine 0 N--CA 1.471 0.971 0 C-N-CA 124.35 0.976 . . . . 0.0 112.753 177.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -55.73 -43.77 76.88 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 117.95 0.875 . . . . 0.0 111.33 172.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.04 -50.61 54.51 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 124.401 1.001 . . . . 0.0 113.782 171.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -57.12 -41.36 78.88 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 119.187 1.493 . . . . 0.0 112.668 172.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.45 ' HB3' HMA3 ' A' ' 201' ' ' HEC . 26.5 mmtp -69.35 -45.05 70.35 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.988 0.813 . . . . 0.0 111.398 -178.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.9 t -53.86 -47.96 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.27 1.028 . . . . 0.0 110.567 168.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.95 -46.77 87.84 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.6 -42.57 99.65 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.017 0.927 . . . . 0.0 111.331 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.15 -40.18 80.69 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.756 0.823 . . . . 0.0 112.771 169.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.24 -44.1 84.69 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.574 -0.703 . . . . 0.0 111.604 173.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 66.4 m -57.79 -41.88 83.01 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.937 1.244 . . . . 0.0 112.025 172.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -58.26 -46.39 86.1 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.866 0.866 . . . . 0.0 111.404 170.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.7 -44.94 86.22 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.581 -0.699 . . . . 0.0 112.787 172.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -61.42 -45.13 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 CA-C-N 120.059 1.3 . . . . 0.0 111.74 175.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.82 -23.99 66.8 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.978 1.311 . . . . 0.0 113.974 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -131.89 31.84 4.15 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.126 1.37 . . . . 0.0 111.679 -173.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.9 -18.8 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -164.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -102.75 -1.78 29.31 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.781 1.232 . . . . 0.0 114.056 173.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -127.75 -3.19 5.95 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.297 2.239 . . . . 0.0 113.084 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.414 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 22.5 ptt? -61.96 -19.05 0.49 Allowed Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 118.266 2.691 . . . . 0.0 118.266 -178.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -43.2 -24.4 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 124.523 3.482 . . . . 0.0 117.997 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -118.22 -22.29 7.79 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 167.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 76' ' ' MET . . . -63.44 -18.39 63.7 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 178.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.4 mt -101.44 3.99 40.9 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.213 1.005 . . . . 0.0 113.29 172.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.1 t -56.82 -36.57 70.1 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 120.101 1.318 . . . . 0.0 114.512 -169.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.68 -34.07 72.4 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.11 -0.994 . . . . 0.0 112.555 173.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.5 mt -76.57 -41.06 47.75 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.125 0.97 . . . . 0.0 110.575 174.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.2 m -59.14 -40.48 85.59 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.017 0.527 . . . . 0.0 112.109 175.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -60.99 -50.0 75.17 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.178 0.991 . . . . 0.0 112.234 172.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tp -49.45 -56.18 10.6 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.818 0.847 . . . . 0.0 110.929 171.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -69.79 -41.63 74.82 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.407 -0.808 . . . . 0.0 112.641 -174.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.29 -13.92 58.81 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -124.67 -47.75 1.82 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.692 1.133 . . . . 0.0 113.576 -172.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -65.39 -44.52 87.23 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 119.461 1.028 . . . . 0.0 113.277 -171.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 mp -130.5 1.84 4.55 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.761 1.224 . . . . 0.0 113.431 172.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.43 46.91 10.82 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 126.222 1.809 . . . . 0.0 112.829 -171.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.9 t -48.86 124.19 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 127.585 2.354 . . . . 0.0 111.414 -177.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -71.05 119.11 71.43 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 126.996 2.119 . . . . 0.0 112.797 -177.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -45.92 -32.61 9.69 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 124.868 3.712 . . . . 0.0 116.342 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.477 HG13 HD22 ' A' ' 97' ' ' ASN . 8.5 p -50.79 -38.88 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 O-C-N 120.779 -1.2 . . . . 0.0 112.898 172.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.477 HD22 HG13 ' A' ' 96' ' ' VAL . 0.9 OUTLIER -61.15 -37.53 83.19 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.651 1.114 . . . . 0.0 111.859 178.592 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -43.09 88.03 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-O 119.215 -0.422 . . . . 0.0 109.993 173.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -55.3 -41.42 72.33 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.465 0.706 . . . . 0.0 110.198 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.01 -58.7 7.31 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.531 1.132 . . . . 0.0 110.623 177.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.425 HD11 HBB3 ' A' ' 201' ' ' HEC . 0.2 OUTLIER -65.15 -29.72 70.58 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.557 -0.714 . . . . 0.0 112.107 -178.737 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.4 t -60.75 -51.12 70.68 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.595 1.558 . . . . 0.0 112.345 173.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -57.55 -41.87 81.84 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.686 -0.634 . . . . 0.0 110.99 171.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 84.3 m -67.34 -34.9 78.3 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.0 mt -62.62 -51.35 67.64 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.806 1.242 . . . . 0.0 110.284 170.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.7 mt -51.19 -45.32 61.78 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.238 0.615 . . . . 0.0 112.018 172.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.1 t -55.66 -48.0 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.57 0.748 . . . . 0.0 112.948 171.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -36.16 83.06 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 120.343 1.428 . . . . 0.0 113.563 176.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.66 -46.91 83.47 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 120.136 1.335 . . . . 0.0 110.107 172.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.59 -38.95 56.84 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.437 1.095 . . . . 0.0 113.482 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.53 -12.09 60.38 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 -177.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -127.49 -26.97 2.94 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -171.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.56 178.93 2.13 Favored Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 124.497 1.119 . . . . 0.0 110.513 170.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -54.68 -147.1 0.0 OUTLIER 'Trans proline' 0 CA--C 1.55 1.302 1 C-N-CA 125.554 4.169 . . . . 0.0 115.188 164.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.1 50.67 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.505 1.922 . . . . 0.0 114.335 170.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -46.57 -34.54 5.01 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 128.665 2.786 . . . . 0.0 115.071 -164.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -73.27 48.94 0.25 Allowed 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.714 0.769 . . . . 0.0 111.98 165.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.48 164.53 37.34 Favored Pre-proline 0 N--CA 1.48 1.067 0 O-C-N 120.642 -1.287 . . . . 0.0 108.985 171.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -57.47 -54.29 3.63 Favored 'Trans proline' 0 C--N 1.346 0.432 0 CA-C-N 120.846 1.338 . . . . 0.0 112.115 172.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.45 -28.57 64.06 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 -175.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.2 t -88.17 -43.7 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 118.44 -0.79 . . . . 0.0 111.039 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -65.39 -53.58 41.15 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.05 1.295 . . . . 0.0 111.356 175.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.56 -1.02 5.82 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.4 t -93.54 -61.59 1.53 Allowed 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.912 0.885 . . . . 0.0 110.074 164.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.12 -37.91 84.49 Favored 'General case' 0 C--N 1.335 -0.057 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -171.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.48 -51.19 70.93 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 119.809 1.186 . . . . 0.0 111.363 177.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 -28.46 51.4 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.843 0.857 . . . . 0.0 113.225 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -60.77 -56.84 16.38 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 119.615 1.098 . . . . 0.0 110.21 168.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.88 -37.67 85.45 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.81 0.732 . . . . 0.0 111.465 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.06 -44.91 83.51 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.726 1.148 . . . . 0.0 112.317 170.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 34.9 t -62.71 -42.57 99.71 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.311 0.96 . . . . 0.0 113.282 171.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 95.2 t -51.99 -49.81 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-O 118.186 -0.911 . . . . 0.0 109.567 171.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.2 t -58.56 -54.97 40.99 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 118.37 -0.824 . . . . 0.0 113.011 174.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 95.5 m -49.19 -35.74 17.88 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.91 1.232 . . . . 0.0 112.588 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 50.8 t -75.06 -50.66 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.319 1.047 . . . . 0.0 112.246 172.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.51 -10.34 7.68 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.094 1.758 . . . . 0.0 114.451 175.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 38.0 p -119.44 2.07 11.24 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 127.076 2.151 . . . . 0.0 111.444 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.9 t -62.99 172.3 1.82 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.203 1.401 . . . . 0.0 112.746 170.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 33.9 pttt -150.47 -158.42 0.91 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.412 2.285 . . . . 0.0 110.416 -164.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -46.55 108.69 0.15 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.411 1.484 . . . . 0.0 111.685 169.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? . . . . . 0 C--O 1.252 1.216 0 C-N-CA 125.016 1.326 . . . . 0.0 113.068 -172.48 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.303 2.4 p . . . . . 0 N--CA 1.506 2.351 0 CA-C-O 116.966 -1.492 . . . . 0.0 112.692 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 71.5 t60 22.82 77.07 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 127.677 2.391 . . . . 0.0 116.081 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.23 161.25 19.71 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.664 0.786 . . . . 0.0 110.794 176.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.5 p -67.47 157.76 84.64 Favored Pre-proline 0 N--CA 1.481 1.114 0 O-C-N 121.431 -0.793 . . . . 0.0 109.849 158.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -53.65 -38.9 84.68 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 122.466 2.111 . . . . 0.0 113.409 171.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -70.67 -43.03 69.95 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.609 1.164 . . . . 0.0 111.853 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -61.09 -42.95 99.45 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.459 -0.776 . . . . 0.0 111.49 170.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -60.13 -48.26 82.45 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.789 0.722 . . . . 0.0 110.962 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 51.3 m -55.23 -42.17 73.03 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 118.65 -0.69 . . . . 0.0 111.801 174.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.75 -56.25 24.66 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.263 0.938 . . . . 0.0 112.468 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.53 -52.97 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 119.543 1.065 . . . . 0.0 111.738 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.2 m -71.29 -34.06 70.3 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.156 0.889 . . . . 0.0 112.408 -170.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.56 77.59 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 120.113 1.324 . . . . 0.0 112.185 173.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -67.9 -42.42 81.17 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.402 -0.811 . . . . 0.0 110.532 172.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -51.27 -44.21 61.74 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.384 -0.822 . . . . 0.0 111.137 168.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.95 -12.45 15.14 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 127.077 2.275 . . . . 0.0 116.915 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.37 -2.13 7.5 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.492 1.646 . . . . 0.0 114.288 165.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.22 139.84 17.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 123.903 0.881 . . . . 0.0 111.862 -178.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -84.7 77.72 10.0 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.71 0.804 . . . . 0.0 109.523 178.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 62.8 t -48.51 -36.21 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 C-N-CA 124.573 1.149 . . . . 0.0 113.631 -170.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -83.61 -10.78 58.01 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.476 1.91 . . . . 0.0 115.914 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -114.11 -52.49 2.73 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.752 1.221 . . . . 0.0 110.42 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -32.32 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 121.216 -0.927 . . . . 0.0 111.904 172.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.96 -45.36 20.96 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 119.323 0.965 . . . . 0.0 112.01 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.69 -43.22 96.46 Favored Glycine 0 N--CA 1.469 0.888 0 CA-C-N 117.683 0.741 . . . . 0.0 112.188 172.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.0 -35.06 69.34 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 117.384 -1.293 . . . . 0.0 112.199 174.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.69 79.47 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 122.093 2.224 . . . . 0.0 111.309 173.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 tp -72.05 -44.26 63.62 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 122.345 -0.222 . . . . 0.0 111.198 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.54 -49.27 78.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 120.56 -1.337 . . . . 0.0 114.062 176.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -30.93 61.8 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 125.555 1.542 . . . . 0.0 112.142 175.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tt -78.12 -39.94 39.68 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.261 1.424 . . . . 0.0 112.852 172.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 53.9 mt -70.41 -34.15 72.18 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.728 -1.233 . . . . 0.0 110.72 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 22.6 m -75.96 -6.89 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.17 -4.79 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-N 121.17 1.804 . . . . 0.0 111.855 169.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 49.85 37.71 0.44 Allowed Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 125.652 1.581 . . . . 0.0 113.956 -166.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -81.92 178.04 6.82 Favored 'Trans proline' 0 C--N 1.359 1.079 0 C-N-CA 122.081 1.854 . . . . 0.0 110.271 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -40.22 -35.64 0.43 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 116.098 1.888 . . . . 0.0 116.098 176.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.427 HG22 ' CG ' ' B' ' 102' ' ' ASN . 24.2 p -54.69 -25.07 24.87 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.689 1.596 . . . . 0.0 114.411 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -46.56 -25.99 0.8 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.407 2.283 . . . . 0.0 114.91 173.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -50.95 -30.49 15.04 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -86.59 7.55 25.84 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -45.98 -39.79 9.49 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.89 1.676 . . . . 0.0 113.529 170.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.74 -22.33 57.49 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 16.7 t -97.31 -44.88 6.71 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.136 0.974 . . . . 0.0 112.181 173.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -61.76 -37.33 83.88 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.21 -106.18 2.96 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.56 1.076 . . . . 0.0 112.802 174.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.25 84.48 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.441 1.497 . . . . 0.0 112.655 177.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 tt -137.32 -19.03 1.26 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.964 1.706 . . . . 0.0 113.439 -174.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.7 t -54.93 -23.9 21.18 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.061 1.345 . . . . 0.0 114.37 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 32.4 p -124.95 154.51 71.13 Favored Pre-proline 0 N--CA 1.474 0.735 0 C-N-CA 124.507 1.123 . . . . 0.0 111.299 167.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -55.88 -42.73 64.09 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.099 2.532 . . . . 0.0 114.004 173.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.04 -37.56 83.05 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.445 0.698 . . . . 0.0 111.801 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.37 -54.72 36.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 122.589 0.356 . . . . 0.0 111.072 170.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -37.35 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -171.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -71.34 -27.08 63.13 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.457 1.026 . . . . 0.0 113.61 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.6 -1.13 59.02 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 124.388 0.994 . . . . 0.0 114.684 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -74.39 130.38 82.26 Favored Pre-proline 0 CA--C 1.555 1.135 0 C-N-CA 125.342 1.457 . . . . 0.0 112.887 -170.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -67.93 -37.3 15.7 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 123.787 2.991 . . . . 0.0 113.659 -177.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -66.11 -45.56 80.73 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 121.212 -0.93 . . . . 0.0 110.777 174.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 83.6 t -62.03 -46.45 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.724 0.81 . . . . 0.0 111.557 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -66.05 -38.43 88.34 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 119.614 1.097 . . . . 0.0 113.043 176.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.7 -45.25 90.9 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.399 1.0 . . . . 0.0 112.793 173.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -61.85 -35.91 79.66 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.236 -0.915 . . . . 0.0 111.08 173.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.68 -50.37 63.77 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.385 1.469 . . . . 0.0 114.066 166.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -58.61 -42.34 87.97 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.675 1.238 . . . . 0.0 111.508 173.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -63.19 -53.85 46.74 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.971 0.908 . . . . 0.0 112.593 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.435 HG12 ' NB ' ' B' ' 201' ' ' HEC . 18.3 m -57.74 -44.9 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 CA-C-N 119.394 0.997 . . . . 0.0 111.181 177.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 tt -71.94 -35.66 69.67 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.476 -0.765 . . . . 0.0 112.242 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.61 -42.04 93.95 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.333 0.968 . . . . 0.0 112.303 170.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.32 85.02 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.854 -0.792 . . . . 0.0 113.064 171.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -60.57 -35.59 76.44 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.514 -1.366 . . . . 0.0 111.331 170.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -41.42 87.61 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.448 1.099 . . . . 0.0 113.219 171.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -57.45 -32.53 67.01 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.453 1.024 . . . . 0.0 111.86 170.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.22 -63.6 4.76 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 123.725 0.679 . . . . 0.0 111.68 166.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 18.5 mt -51.61 -35.15 40.56 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.41 -28.45 62.0 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 176.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.8 49.18 1.49 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.082 1.753 . . . . 0.0 111.424 -169.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.33 -21.54 62.17 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.753 -1.217 . . . . 0.0 113.912 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.18 -19.65 65.47 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 174.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -97.8 -65.84 0.94 Allowed 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 118.981 0.809 . . . . 0.0 112.662 -175.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 46.15 18.12 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 116.969 2.211 . . . . 0.0 116.969 -173.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -138.21 -66.09 0.5 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.269 1.428 . . . . 0.0 111.299 176.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.37 -35.02 77.1 Favored Glycine 0 N--CA 1.479 1.551 0 CA-C-N 118.882 0.764 . . . . 0.0 113.892 177.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.3 p -67.91 -13.82 62.47 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.327 1.851 . . . . 0.0 114.853 173.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -128.9 -4.33 5.13 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.526 1.53 . . . . 0.0 113.931 -174.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.99 -40.9 70.56 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 120.169 1.35 . . . . 0.0 113.414 -173.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 25.0 p -64.55 -36.59 84.72 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.754 1.221 . . . . 0.0 113.017 173.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 71.4 mt -77.17 -37.16 54.32 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.325 1.05 . . . . 0.0 112.04 176.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 4.3 t -61.27 -44.67 96.85 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.521 1.128 . . . . 0.0 110.304 171.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.85 -49.27 78.37 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.244 -0.91 . . . . 0.0 112.343 170.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 49.4 tp -55.64 -53.92 50.55 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.477 1.035 . . . . 0.0 112.116 177.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -82.53 -19.95 37.62 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -170.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 49.5 t -90.68 -64.54 1.12 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.732 0.813 . . . . 0.0 112.074 169.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -75.99 -40.49 53.6 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.49 -1.381 . . . . 0.0 113.223 -169.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.4 -41.49 21.85 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 56.4 mt -114.63 -24.19 8.88 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -171.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 34.11 46.95 0.17 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.792 2.437 . . . . 0.0 114.915 -169.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -61.58 150.37 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 120.879 -1.138 . . . . 0.0 110.612 -178.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -64.51 141.34 98.21 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 123.614 0.765 . . . . 0.0 112.75 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.65 -28.92 44.11 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.698 2.266 . . . . 0.0 114.108 -171.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -67.35 -27.45 67.14 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.847 -1.158 . . . . 0.0 112.656 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . 0.505 HD21 HBC2 ' B' ' 201' ' ' HEC . 49.7 t-20 -55.53 -49.99 71.18 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.169 1.387 . . . . 0.0 112.475 173.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -59.29 -46.31 88.89 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.657 1.183 . . . . 0.0 111.384 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -60.54 -44.93 95.55 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.746 0.818 . . . . 0.0 111.698 176.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.35 -46.2 91.22 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 118.567 -0.73 . . . . 0.0 112.007 175.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.99 -41.17 77.92 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.682 1.128 . . . . 0.0 109.82 176.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . 0.473 ' CA ' HG11 ' B' ' 134' ' ' VAL . . . -57.45 -55.44 30.44 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 115.029 0.771 . . . . 0.0 115.029 174.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.59 -40.34 94.43 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 118.239 1.02 . . . . 0.0 111.12 177.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 98.0 t -66.72 -36.22 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 O-C-N 121.122 -0.986 . . . . 0.0 111.746 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 14.1 tp -54.45 -55.28 30.45 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.726 1.148 . . . . 0.0 110.602 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.62 -30.08 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.043 0.838 . . . . 0.0 112.873 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 78.3 m -70.76 -46.93 62.05 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 174.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 13.7 p -65.16 -36.53 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 120.012 1.278 . . . . 0.0 111.653 174.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 68.5 mt -58.76 -47.43 84.7 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.506 1.048 . . . . 0.0 110.815 171.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.5 -34.99 77.97 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 175.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -65.49 -59.1 4.35 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.769 1.168 . . . . 0.0 112.005 169.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -65.39 -21.99 66.74 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -168.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -131.27 43.55 3.07 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.152 1.781 . . . . 0.0 111.228 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.3 -32.54 37.16 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.075 1.322 . . . . 0.0 116.202 -176.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -71.32 -8.83 56.32 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 118.783 1.291 . . . . 0.0 114.34 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -130.45 5.13 4.74 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.102 1.761 . . . . 0.0 113.193 -170.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.46 33.47 0.05 Allowed 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 -169.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 17.6 p -43.65 148.51 0.71 Allowed Pre-proline 0 N--CA 1.486 1.344 0 C-N-CA 125.139 1.376 . . . . 0.0 113.983 -167.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -45.66 -48.16 12.53 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 121.911 1.741 . . . . 0.0 114.426 174.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.07 -30.31 56.21 Favored 'Trans proline' 0 C--N 1.353 0.801 0 CA-C-O 116.9 -1.375 . . . . 0.0 114.043 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -40.21 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 122.683 2.492 . . . . 0.0 112.589 177.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -60.59 -54.23 47.95 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.948 0.499 . . . . 0.0 110.052 172.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.1 -36.8 82.8 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -177.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.42 -53.28 45.37 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.552 1.141 . . . . 0.0 111.528 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -56.07 -47.55 77.75 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 118.962 -0.542 . . . . 0.0 111.154 169.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -56.48 -40.31 74.69 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.78 0.718 . . . . 0.0 112.706 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -71.41 -33.1 69.14 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 120.014 1.279 . . . . 0.0 113.773 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 62.4 t -63.69 -50.87 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 CA-C-N 119.686 1.13 . . . . 0.0 109.664 168.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.473 HG11 ' CA ' ' B' ' 107' ' ' GLY . 12.0 t -61.86 -44.05 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 125.949 1.7 . . . . 0.0 112.725 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.03 97.27 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.398 0.999 . . . . 0.0 111.789 175.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.13 -44.99 88.57 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 123.319 0.485 . . . . 0.0 112.577 168.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.59 -44.18 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.731 1.212 . . . . 0.0 113.323 175.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.47 -44.69 93.69 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.2 0.909 . . . . 0.0 110.679 176.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -61.35 -40.19 93.38 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.418 0.687 . . . . 0.0 112.105 174.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.63 -45.12 91.7 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.217 1.007 . . . . 0.0 112.606 173.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.77 -24.43 63.51 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.605 -1.309 . . . . 0.0 112.332 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.63 -11.79 59.91 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 167.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -57.15 -43.7 82.75 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.162 -1.586 . . . . 0.0 113.474 -173.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -65.34 -7.84 15.44 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 176.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -67.62 -18.15 64.87 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 120.343 1.429 . . . . 0.0 112.256 175.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 33.9 m80 . . . . . 0 C--O 1.252 1.22 0 C-N-CA 125.427 1.491 . . . . 0.0 113.126 -162.568 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.258 5.0 p . . . . . 0 N--CA 1.514 2.768 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 45.5 mt -137.13 172.61 12.75 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.716 1.606 . . . . 0.0 111.077 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.81 170.25 6.82 Favored Pre-proline 0 N--CA 1.475 0.787 0 C-N-CA 125.81 1.644 . . . . 0.0 110.654 -176.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -78.95 -40.77 0.26 Allowed 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 122.525 2.15 . . . . 0.0 112.837 176.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.09 -30.4 69.57 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -177.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -43.69 98.4 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.869 0.759 . . . . 0.0 110.743 174.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -54.72 -49.57 70.43 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.798 0.839 . . . . 0.0 111.137 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 64.5 m -58.06 -43.86 87.14 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.614 0.766 . . . . 0.0 111.538 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -69.11 -35.03 76.0 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.72 -0.613 . . . . 0.0 112.646 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.26 -49.96 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 119.055 0.843 . . . . 0.0 110.997 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -58.77 -44.13 90.57 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.059 0.845 . . . . 0.0 111.351 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.24 -51.43 69.39 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.267 0.627 . . . . 0.0 111.862 175.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.02 -53.93 48.61 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.796 0.726 . . . . 0.0 112.346 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -62.25 -27.46 69.02 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.663 0.785 . . . . 0.0 112.861 -177.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.39 -36.89 93.99 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.186 0.898 . . . . 0.0 113.708 170.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -74.92 -35.09 62.2 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 118.354 1.077 . . . . 0.0 111.74 172.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.29 -50.88 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.957 0.903 . . . . 0.0 111.183 174.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.67 -133.87 9.06 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.223 0.916 . . . . 0.0 113.946 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.85 -22.19 46.66 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -70.7 -7.24 43.2 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 175.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.49 -43.4 55.55 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.813 -1.179 . . . . 0.0 112.716 176.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.29 -48.34 75.44 Favored Glycine 0 C--N 1.341 0.81 0 C-N-CA 123.436 0.541 . . . . 0.0 113.594 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -66.76 -35.22 79.6 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.149 0.975 . . . . 0.0 111.814 177.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -65.84 -35.62 81.16 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.212 0.914 . . . . 0.0 112.538 173.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.1 -46.78 69.26 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-N 119.27 0.941 . . . . 0.0 112.54 171.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.56 75.17 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.894 0.878 . . . . 0.0 111.578 175.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -55.02 -48.85 72.82 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 125.33 1.452 . . . . 0.0 111.976 170.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.417 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -62.76 -37.98 88.76 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.784 0.72 . . . . 0.0 112.772 -175.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.36 -51.54 65.46 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.352 1.061 . . . . 0.0 111.661 173.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -54.97 -53.27 57.82 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.635 -0.666 . . . . 0.0 111.597 173.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 78.4 mtt-85 -52.4 -40.42 62.08 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.716 1.206 . . . . 0.0 112.295 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 7.4 tmm? -60.27 -47.54 85.56 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.967 0.803 . . . . 0.0 112.004 173.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -61.94 -37.71 85.73 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.348 0.977 . . . . 0.0 113.575 -177.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.27 -35.5 15.26 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 178.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 63.3 m -71.1 -15.98 62.55 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.821 1.192 . . . . 0.0 113.181 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -142.32 79.45 15.74 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 125.171 1.389 . . . . 0.0 109.737 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -49.69 -28.02 16.37 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 123.958 3.105 . . . . 0.0 115.273 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.89 -32.09 8.34 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.947 1.699 . . . . 0.0 114.131 171.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.56 -18.11 58.85 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 177.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -60.71 -27.67 68.07 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 120.485 1.493 . . . . 0.0 114.202 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 13.9 t -57.31 -28.95 63.52 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 173.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -32.9 74.47 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -175.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 14.4 t80 5.22 77.55 0.05 OUTLIER Pre-proline 0 N--CA 1.48 1.031 0 C-N-CA 128.732 2.813 . . . . 0.0 114.548 172.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -64.15 -56.91 0.39 Allowed 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.109 1.872 . . . . 0.0 111.867 -172.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -169.36 10.06 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 126.548 1.939 . . . . 0.0 113.597 173.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.29 140.87 41.73 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 120.771 -1.205 . . . . 0.0 112.997 -167.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.14 -42.28 76.19 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 mt 47.07 26.45 0.63 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 126.035 1.734 . . . . 0.0 114.603 -172.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 62.2 m -74.45 28.14 0.08 Allowed 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.162 2.185 . . . . 0.0 115.26 -175.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 74.4 t60 62.13 136.31 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.984 2.513 . . . . 0.0 113.949 -166.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.78 16.92 64.36 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.113 0.864 . . . . 0.0 114.907 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 48.8 m -55.48 112.04 1.03 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.884 2.074 . . . . 0.0 114.264 -170.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.69 -36.44 64.66 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -176.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.17 -35.78 81.9 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.511 -0.743 . . . . 0.0 112.753 175.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.97 -35.95 66.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 O-C-N 121.469 -0.769 . . . . 0.0 110.94 174.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -63.14 -48.97 76.21 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 119.236 0.925 . . . . 0.0 111.586 172.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.25 -52.64 48.14 Favored Glycine 0 N--CA 1.472 1.06 0 C-N-CA 124.232 0.92 . . . . 0.0 112.796 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.4 t-160 -55.91 -43.56 77.43 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 117.828 0.814 . . . . 0.0 111.472 172.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.12 -50.53 55.14 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 124.353 0.978 . . . . 0.0 113.798 171.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -57.05 -41.5 78.8 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.146 1.473 . . . . 0.0 112.753 171.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . 0.434 ' HB3' HMA3 ' C' ' 201' ' ' HEC . 26.5 mmtp -69.31 -44.92 70.77 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.805 0.729 . . . . 0.0 111.501 -178.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 78.6 t -53.95 -48.0 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.309 1.043 . . . . 0.0 110.449 168.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.89 -46.73 88.13 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.71 -42.71 99.79 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.126 0.97 . . . . 0.0 111.363 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.01 -40.38 80.64 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.744 0.817 . . . . 0.0 112.893 169.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -44.14 85.34 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.55 -0.719 . . . . 0.0 111.7 172.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 65.4 m -57.6 -41.91 82.16 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.072 1.305 . . . . 0.0 112.013 172.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -58.32 -46.33 86.38 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.878 0.871 . . . . 0.0 111.444 170.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.65 -45.04 86.0 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 118.585 -0.722 . . . . 0.0 112.742 172.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 79.8 t -61.4 -45.09 99.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 120.104 1.32 . . . . 0.0 111.63 175.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.9 -23.91 66.74 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.003 1.321 . . . . 0.0 113.992 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -132.16 32.07 4.04 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.176 1.39 . . . . 0.0 111.671 -173.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.06 -18.83 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -164.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -102.52 -1.99 29.44 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.712 1.205 . . . . 0.0 114.019 173.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -127.74 -3.17 5.96 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 127.39 2.276 . . . . 0.0 113.096 -176.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 76' ' ' MET . . . . . 0.411 ' HA ' ' HB3' ' C' ' 79' ' ' ALA . 22.5 ptt? -62.17 -18.97 0.48 Allowed Pre-proline 0 CA--C 1.545 0.78 0 N-CA-C 118.323 2.712 . . . . 0.0 118.323 -178.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -43.22 -24.3 0.51 Allowed 'Trans proline' 0 C--N 1.362 1.286 0 C-N-CA 124.395 3.397 . . . . 0.0 118.063 174.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -118.32 -22.11 7.81 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 167.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 79' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' C' ' 76' ' ' MET . . . -63.52 -18.73 64.13 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 120.497 1.499 . . . . 0.0 114.925 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 54.1 mt -101.23 3.94 41.39 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.212 1.005 . . . . 0.0 113.204 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 31.4 t -56.85 -36.56 70.16 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 120.193 1.36 . . . . 0.0 114.523 -169.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.7 -34.03 72.36 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.072 -1.018 . . . . 0.0 112.547 173.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 9.5 mt -76.56 -41.28 47.07 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.027 0.931 . . . . 0.0 110.518 174.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 5.2 m -58.91 -40.5 84.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.403 0.547 . . . . 0.0 112.156 175.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.01 -50.46 73.3 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.139 0.976 . . . . 0.0 112.071 172.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 tp -49.02 -56.34 9.26 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.751 0.82 . . . . 0.0 111.02 171.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -69.23 -42.99 74.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 118.406 -0.807 . . . . 0.0 112.437 -174.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.19 -14.12 59.27 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -124.51 -47.69 1.84 Allowed 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.633 1.106 . . . . 0.0 113.691 -172.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -65.44 -44.46 87.25 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-N 119.442 1.019 . . . . 0.0 113.141 -171.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 mp -130.52 1.68 4.53 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.723 1.209 . . . . 0.0 113.459 172.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.88 47.07 12.31 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 126.272 1.829 . . . . 0.0 112.776 -171.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 60.8 t -49.33 123.99 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 127.573 2.349 . . . . 0.0 111.376 -176.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -70.94 119.18 71.68 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 126.927 2.091 . . . . 0.0 112.672 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -46.23 -32.15 10.06 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 124.852 3.701 . . . . 0.0 116.412 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 96' ' ' VAL . . . . . 0.492 HG13 HD22 ' C' ' 97' ' ' ASN . 8.8 p -51.21 -38.71 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 O-C-N 120.717 -1.239 . . . . 0.0 112.753 172.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . 0.492 HD22 HG13 ' C' ' 96' ' ' VAL . 0.9 OUTLIER -61.17 -37.61 83.52 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.564 1.074 . . . . 0.0 111.598 178.568 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -43.17 87.71 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.128 172.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -55.02 -41.91 71.92 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.455 0.702 . . . . 0.0 110.348 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.48 -59.17 5.83 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.652 1.181 . . . . 0.0 110.764 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . 0.42 HD11 HBB3 ' C' ' 201' ' ' HEC . 0.2 OUTLIER -64.66 -30.16 71.17 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.557 -0.714 . . . . 0.0 112.221 -178.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 47.9 t -60.42 -51.23 70.36 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.43 1.492 . . . . 0.0 112.458 173.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -57.26 -42.14 81.01 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.713 -0.617 . . . . 0.0 111.065 171.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 104' ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 83.7 m -67.22 -34.83 78.3 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 178.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.87 -51.18 68.0 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.534 1.134 . . . . 0.0 110.077 170.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 5.7 mt -51.22 -44.82 61.75 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.373 0.669 . . . . 0.0 111.994 172.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.05 -48.3 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.718 0.807 . . . . 0.0 112.858 171.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.61 -36.29 83.31 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 120.171 1.35 . . . . 0.0 113.634 176.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.59 -47.14 82.69 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 120.076 1.307 . . . . 0.0 110.15 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.44 -39.06 56.64 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.326 1.05 . . . . 0.0 113.572 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.37 -11.85 60.36 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 116.512 2.041 . . . . 0.0 116.512 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -127.69 -27.05 2.88 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -171.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.67 179.17 2.03 Favored Pre-proline 0 CA--C 1.56 1.359 0 C-N-CA 124.348 1.059 . . . . 0.0 110.412 170.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -54.71 -147.23 0.0 OUTLIER 'Trans proline' 0 CA--C 1.551 1.335 1 C-N-CA 125.65 4.233 . . . . 0.0 115.14 164.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.01 50.58 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.488 1.915 . . . . 0.0 114.431 170.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -46.65 -34.49 5.09 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 128.676 2.79 . . . . 0.0 115.113 -164.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -73.43 48.91 0.26 Allowed 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 121.859 0.838 . . . . 0.0 112.012 165.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.1 164.54 34.94 Favored Pre-proline 0 N--CA 1.478 0.956 0 O-C-N 120.532 -1.355 . . . . 0.0 108.993 170.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -57.15 -55.08 2.84 Favored 'Trans proline' 0 C--N 1.346 0.435 0 CA-C-N 120.85 1.339 . . . . 0.0 112.049 172.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.74 -29.33 65.54 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -175.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 61.5 t -87.53 -43.26 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-O 118.448 -0.787 . . . . 0.0 111.021 -177.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -65.77 -53.35 41.65 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 120.089 1.313 . . . . 0.0 111.205 175.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.7 -1.67 7.49 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 16.3 t -92.85 -61.6 1.55 Allowed 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.975 0.91 . . . . 0.0 110.257 164.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.12 -37.95 84.61 Favored 'General case' 0 C--N 1.338 0.066 0 CA-C-O 117.866 -1.064 . . . . 0.0 113.85 -171.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.54 -51.21 70.82 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.955 1.252 . . . . 0.0 111.277 178.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -28.74 53.44 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -60.58 -57.19 13.78 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.44 1.018 . . . . 0.0 110.157 168.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.68 -38.0 86.18 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.87 0.759 . . . . 0.0 111.383 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.93 -44.48 82.53 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.736 1.153 . . . . 0.0 112.288 170.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 35.3 t -63.02 -42.4 99.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.165 0.893 . . . . 0.0 113.164 171.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 93.5 t -52.07 -49.98 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-O 118.345 -0.836 . . . . 0.0 109.559 171.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 33.3 t -58.52 -54.85 42.39 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-O 118.251 -0.881 . . . . 0.0 112.891 174.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 93.3 m -49.43 -35.49 19.4 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.784 1.175 . . . . 0.0 112.474 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 49.7 t -75.43 -50.38 24.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 124.219 1.007 . . . . 0.0 112.176 172.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -10.26 7.67 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.124 1.77 . . . . 0.0 114.601 175.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 38.6 p -119.55 2.23 11.2 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 127.002 2.121 . . . . 0.0 111.439 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 6.9 t -62.93 172.22 1.83 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.272 1.429 . . . . 0.0 112.71 170.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -150.34 -158.41 0.91 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.485 2.314 . . . . 0.0 110.569 -165.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -46.75 109.09 0.17 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.327 1.451 . . . . 0.0 111.651 169.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? . . . . . 0 C--O 1.253 1.273 0 C-N-CA 124.962 1.305 . . . . 0.0 113.157 -172.51 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.305 2.4 p . . . . . 0 N--CA 1.505 2.322 0 CA-C-O 116.924 -1.512 . . . . 0.0 112.773 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 71.3 t60 22.79 77.07 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 127.633 2.373 . . . . 0.0 116.095 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.22 161.37 19.44 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.452 0.701 . . . . 0.0 110.854 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 6.5 p -67.56 157.75 84.89 Favored Pre-proline 0 N--CA 1.481 1.08 0 O-C-N 121.444 -0.785 . . . . 0.0 109.832 158.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -53.66 -38.98 84.84 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.456 2.104 . . . . 0.0 113.38 172.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -70.56 -42.94 70.46 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.508 1.123 . . . . 0.0 112.002 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -61.07 -43.0 99.54 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.516 -0.74 . . . . 0.0 111.387 170.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -60.22 -48.33 82.17 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.955 0.798 . . . . 0.0 110.868 176.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 51.1 m -55.23 -42.16 73.02 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 118.743 -0.646 . . . . 0.0 111.826 174.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.53 -56.58 20.33 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.16 0.891 . . . . 0.0 112.396 174.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.53 -52.96 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-N 119.5 1.045 . . . . 0.0 111.887 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -71.12 -34.2 70.83 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 119.117 0.872 . . . . 0.0 112.452 -170.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.91 -36.43 78.0 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 120.096 1.316 . . . . 0.0 112.347 173.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -68.17 -42.31 80.21 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.499 -0.75 . . . . 0.0 110.533 172.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -51.26 -44.24 61.73 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.607 0.763 . . . . 0.0 111.134 168.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.88 -12.59 15.38 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 127.055 2.264 . . . . 0.0 116.953 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.3 -2.07 7.56 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 119.479 1.639 . . . . 0.0 114.268 165.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.24 139.9 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 123.978 0.911 . . . . 0.0 111.894 -178.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -84.81 77.91 9.99 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.741 0.816 . . . . 0.0 109.555 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 57.8 t -48.89 -35.9 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 124.606 1.163 . . . . 0.0 113.584 -171.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -85.32 -5.09 59.34 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.806 2.042 . . . . 0.0 115.885 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -120.28 -52.84 2.15 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.018 1.327 . . . . 0.0 110.291 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.73 -32.51 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 O-C-N 121.169 -0.957 . . . . 0.0 111.949 172.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.86 -45.32 21.73 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-N 119.294 0.952 . . . . 0.0 112.136 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.89 -42.99 96.98 Favored Glycine 0 N--CA 1.469 0.88 0 CA-C-N 117.656 0.728 . . . . 0.0 112.24 172.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.96 -35.06 69.43 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-O 117.253 -1.356 . . . . 0.0 112.208 174.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.08 -48.85 78.88 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 122.137 2.244 . . . . 0.0 111.253 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 tp -71.7 -44.41 64.24 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 122.435 -0.166 . . . . 0.0 111.185 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.68 -49.29 77.93 Favored Glycine 0 N--CA 1.471 1.017 0 O-C-N 120.634 -1.291 . . . . 0.0 113.887 176.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -31.05 61.63 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 125.635 1.574 . . . . 0.0 112.182 175.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tt -77.84 -40.34 40.59 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.323 1.449 . . . . 0.0 112.911 171.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 53.2 mt -70.08 -34.54 73.31 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.675 -1.265 . . . . 0.0 110.649 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 22.4 m -75.82 -6.61 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.29 -4.72 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-N 121.149 1.795 . . . . 0.0 111.883 169.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 49.79 37.77 0.44 Allowed Pre-proline 0 CA--C 1.555 1.137 0 C-N-CA 125.725 1.61 . . . . 0.0 113.812 -166.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -81.86 178.16 6.74 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 122.075 1.85 . . . . 0.0 110.206 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -40.32 -35.53 0.43 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 176.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 38' ' ' THR . . . . . 0.416 HG22 ' CG ' ' D' ' 102' ' ' ASN . 23.7 p -54.75 -25.19 26.22 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.692 1.597 . . . . 0.0 114.408 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -46.44 -25.94 0.76 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.327 2.251 . . . . 0.0 115.068 173.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -51.02 -30.58 15.72 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 175.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -86.49 7.54 25.57 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -45.98 -39.84 9.57 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.887 1.675 . . . . 0.0 113.484 170.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.69 -22.42 57.16 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 174.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 16.7 t -97.35 -44.74 6.75 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.052 0.941 . . . . 0.0 112.21 173.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -61.75 -37.32 83.81 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.13 -106.11 2.95 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.556 1.074 . . . . 0.0 112.856 174.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.22 84.33 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.465 1.506 . . . . 0.0 112.624 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 tt -137.18 -19.03 1.28 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.911 1.685 . . . . 0.0 113.468 -174.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 8.7 t -54.84 -23.9 20.52 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.985 1.314 . . . . 0.0 114.381 -173.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 32.6 p -124.98 154.45 71.22 Favored Pre-proline 0 N--CA 1.472 0.664 0 C-N-CA 124.447 1.099 . . . . 0.0 111.371 167.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -56.0 -42.6 65.06 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.074 2.516 . . . . 0.0 114.057 173.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -61.02 -37.56 83.0 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.465 0.706 . . . . 0.0 111.744 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.39 -54.67 36.9 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.669 0.388 . . . . 0.0 111.079 170.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.84 -37.41 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -171.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -71.17 -27.28 63.41 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.396 0.998 . . . . 0.0 113.646 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -97.54 -0.99 59.13 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.315 0.96 . . . . 0.0 114.729 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -74.53 130.3 82.13 Favored Pre-proline 0 CA--C 1.556 1.196 0 C-N-CA 125.357 1.463 . . . . 0.0 112.935 -170.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -67.79 -37.4 16.05 Favored 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 123.749 2.966 . . . . 0.0 113.565 -177.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -66.14 -45.55 80.61 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.3 -0.875 . . . . 0.0 110.854 174.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 83.6 t -61.95 -46.51 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.848 0.859 . . . . 0.0 111.559 178.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -66.02 -38.45 88.46 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 119.624 1.102 . . . . 0.0 113.048 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.77 -45.07 91.43 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.42 1.009 . . . . 0.0 112.832 173.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -61.81 -36.13 80.22 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.258 -0.901 . . . . 0.0 111.084 173.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.41 -50.53 62.01 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 125.564 1.554 . . . . 0.0 114.154 166.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -58.71 -42.2 88.13 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.678 1.239 . . . . 0.0 111.573 173.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -63.15 -53.97 44.99 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.98 0.912 . . . . 0.0 112.641 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . 0.426 HG12 ' NB ' ' D' ' 201' ' ' HEC . 18.0 m -57.66 -44.94 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 119.429 1.013 . . . . 0.0 111.089 177.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 tt -71.89 -35.68 69.81 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.468 -0.77 . . . . 0.0 112.301 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.58 -42.1 93.92 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.465 1.031 . . . . 0.0 112.294 170.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.35 -37.28 84.96 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 117.845 0.823 . . . . 0.0 113.109 171.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -60.62 -35.43 76.13 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.634 -1.291 . . . . 0.0 111.494 170.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -41.53 87.46 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.532 1.133 . . . . 0.0 113.169 171.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -57.39 -32.54 66.92 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.445 1.021 . . . . 0.0 111.911 170.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.23 -63.59 4.77 Favored Glycine 0 C--N 1.34 0.783 0 C-N-CA 123.807 0.717 . . . . 0.0 111.649 166.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 18.3 mt -51.65 -35.17 41.19 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -178.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.43 -28.42 61.97 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 176.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.92 49.26 1.48 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.148 1.779 . . . . 0.0 111.442 -169.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.27 -21.57 62.08 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.814 -1.179 . . . . 0.0 113.949 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.07 -19.79 65.49 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 174.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -97.79 -65.82 0.94 Allowed 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 118.976 0.807 . . . . 0.0 112.716 -175.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 46.16 18.01 0.05 OUTLIER 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 -173.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -138.14 -66.14 0.5 Allowed 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.176 1.391 . . . . 0.0 111.327 176.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.15 -35.07 75.73 Favored Glycine 0 N--CA 1.48 1.625 0 CA-C-N 118.943 0.792 . . . . 0.0 113.98 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.2 p -68.0 -13.73 62.41 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.114 1.766 . . . . 0.0 114.938 173.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -128.87 -4.26 5.15 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.399 1.48 . . . . 0.0 113.972 -174.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.95 -40.83 70.38 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 120.232 1.378 . . . . 0.0 113.406 -173.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 25.2 p -64.59 -36.77 85.32 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.75 1.22 . . . . 0.0 112.885 173.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 72.4 mt -77.23 -36.97 54.2 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.121 0.968 . . . . 0.0 112.02 177.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 4.3 t -61.4 -44.57 96.91 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.464 1.106 . . . . 0.0 110.336 171.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.71 -49.24 78.5 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.212 -0.93 . . . . 0.0 112.463 170.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 48.0 tp -55.84 -53.94 50.63 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.382 0.992 . . . . 0.0 112.002 177.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -82.51 -19.95 37.71 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -171.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 49.1 t -90.64 -64.59 1.11 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.712 0.805 . . . . 0.0 112.107 169.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -75.94 -40.39 54.18 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.609 -1.307 . . . . 0.0 113.299 -169.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.5 -41.4 21.78 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 56.2 mt -114.68 -24.22 8.85 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -171.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 34.09 46.97 0.17 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.852 2.461 . . . . 0.0 114.863 -169.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.43 150.2 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 120.947 -1.096 . . . . 0.0 110.692 -178.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -64.5 141.32 98.2 Favored Pre-proline 0 CA--C 1.55 0.979 0 O-C-N 121.426 -0.796 . . . . 0.0 112.749 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.54 -28.95 44.94 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.676 2.25 . . . . 0.0 114.1 -171.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -67.33 -27.54 67.23 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.898 -1.126 . . . . 0.0 112.62 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 102' ' ' ASN . . . . . 0.509 HD21 HBC2 ' D' ' 201' ' ' HEC . 49.4 t-20 -55.35 -50.06 70.64 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.133 1.373 . . . . 0.0 112.535 173.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -59.2 -46.53 88.19 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.724 1.209 . . . . 0.0 111.35 177.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -60.18 -45.37 93.35 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.76 0.824 . . . . 0.0 111.611 176.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 6.1 mp -61.0 -46.36 91.07 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 118.442 -0.79 . . . . 0.0 112.072 175.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.87 -41.21 77.58 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.779 1.172 . . . . 0.0 109.908 176.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 107' ' ' GLY . . . . . 0.489 ' CA ' HG11 ' D' ' 134' ' ' VAL . . . -57.06 -56.73 23.47 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 114.908 0.723 . . . . 0.0 114.908 173.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.59 -40.03 90.23 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 118.161 0.98 . . . . 0.0 111.119 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 98.2 t -67.06 -36.33 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 O-C-N 121.123 -0.986 . . . . 0.0 111.654 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 14.1 tp -54.49 -54.71 37.4 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.754 1.161 . . . . 0.0 110.559 174.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 33.1 m -61.07 -29.36 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 CA-C-N 118.821 0.737 . . . . 0.0 112.823 178.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 83.1 m -71.36 -46.73 59.72 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 174.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 12.7 p -65.46 -36.83 78.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 119.841 1.201 . . . . 0.0 111.563 174.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 66.5 mt -58.44 -47.77 82.89 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.641 1.11 . . . . 0.0 110.743 171.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.11 -35.07 77.59 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 175.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -65.46 -59.01 4.45 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.7 1.136 . . . . 0.0 111.984 169.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -65.41 -22.04 66.73 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -168.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -131.37 43.39 3.08 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.195 1.798 . . . . 0.0 111.134 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.06 -32.51 35.29 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.06 1.314 . . . . 0.0 116.264 -177.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -71.47 -8.84 56.47 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 118.823 1.312 . . . . 0.0 114.39 173.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -130.39 5.14 4.77 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.137 1.775 . . . . 0.0 113.22 -170.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.42 33.51 0.05 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 -168.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 17.2 p -44.07 148.74 0.76 Allowed Pre-proline 0 N--CA 1.484 1.237 0 C-N-CA 124.998 1.319 . . . . 0.0 114.042 -167.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -45.81 -48.06 12.96 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 121.933 1.755 . . . . 0.0 114.459 174.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.19 -29.66 55.54 Favored 'Trans proline' 0 C--N 1.353 0.789 0 CA-C-O 116.948 -1.355 . . . . 0.0 113.913 174.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.74 -40.24 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 122.542 2.428 . . . . 0.0 112.493 177.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -60.76 -54.17 48.5 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.011 0.525 . . . . 0.0 110.026 172.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.06 -37.13 83.82 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 113.321 0.859 . . . . 0.0 113.321 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.23 -52.78 52.37 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.537 1.135 . . . . 0.0 111.553 -178.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -56.78 -47.28 80.51 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.85 -0.531 . . . . 0.0 111.058 169.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -56.66 -40.35 75.32 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.889 0.768 . . . . 0.0 112.764 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -71.06 -33.76 70.57 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.009 1.277 . . . . 0.0 113.699 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.15 -51.0 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-N 119.745 1.157 . . . . 0.0 109.787 168.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 134' ' ' VAL . . . . . 0.489 HG11 ' CA ' ' D' ' 107' ' ' GLY . 11.7 t -61.93 -43.51 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 C-N-CA 125.834 1.653 . . . . 0.0 112.832 -176.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.0 97.97 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.389 0.995 . . . . 0.0 111.657 175.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.24 -44.76 89.16 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 123.426 0.536 . . . . 0.0 112.562 168.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.63 -44.3 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.732 1.213 . . . . 0.0 113.303 175.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.7 94.07 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.061 0.846 . . . . 0.0 110.696 176.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -61.52 -39.93 92.81 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.169 0.588 . . . . 0.0 112.243 175.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.57 -45.25 91.32 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.163 0.985 . . . . 0.0 112.579 173.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.81 -24.39 63.47 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.625 -1.297 . . . . 0.0 112.374 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.49 -11.87 59.95 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 167.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -57.07 -43.72 82.37 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.036 -1.665 . . . . 0.0 113.42 -173.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -65.38 -7.75 15.25 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.043 1.498 . . . . 0.0 115.043 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -67.7 -18.05 64.78 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.365 1.439 . . . . 0.0 112.287 175.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 34.0 m80 . . . . . 0 C--O 1.251 1.175 0 C-N-CA 125.411 1.485 . . . . 0.0 112.951 -162.494 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.45 HMA3 ' HB3' ' A' ' 61' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 201' ' ' HEC . . . . . 0.505 HBC2 HD21 ' B' ' 102' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 201' ' ' HEC . . . . . 0.434 HMA3 ' HB3' ' C' ' 61' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 201' ' ' HEC . . . . . 0.509 HBC2 HD21 ' D' ' 102' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.519 2.979 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 22.2 mt -148.47 -167.28 2.77 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 126.37 1.868 . . . . 0.0 110.999 -170.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.36 152.35 64.24 Favored Pre-proline 0 N--CA 1.487 1.386 0 CA-C-N 119.992 1.269 . . . . 0.0 112.966 -175.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -67.6 -50.34 0.94 Allowed 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.399 2.733 . . . . 0.0 112.748 -174.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.38 87.27 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 122.734 0.414 . . . . 0.0 111.222 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -53.57 55.91 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 124.304 1.042 . . . . 0.0 113.17 178.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -55.29 -46.58 76.19 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.376 173.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.9 m -56.02 -45.19 79.21 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.981 1.264 . . . . 0.0 112.718 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -62.78 -42.23 99.6 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.242 -0.912 . . . . 0.0 112.248 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.6 t -73.71 -37.99 50.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-O 118.498 -0.763 . . . . 0.0 111.458 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -56.08 -48.09 76.75 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.518 1.054 . . . . 0.0 110.948 167.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.76 -51.96 67.52 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.119 0.568 . . . . 0.0 111.793 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.18 -54.1 47.59 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.547 0.739 . . . . 0.0 111.702 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -62.35 -26.97 68.74 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.71 -42.67 97.1 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.792 1.187 . . . . 0.0 113.421 170.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -70.22 -37.03 74.93 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 118.547 1.173 . . . . 0.0 111.034 173.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.36 -50.71 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.862 1.265 . . . . 0.0 111.234 175.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.71 -134.01 11.32 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 123.977 0.799 . . . . 0.0 114.047 176.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.68 -22.29 56.75 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -70.88 -8.88 55.98 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -46.96 -49.74 20.17 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.177 0.899 . . . . 0.0 112.552 177.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.98 -38.45 95.49 Favored Glycine 0 C--N 1.339 0.731 0 CA-C-O 119.125 -0.819 . . . . 0.0 113.892 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -66.25 -42.94 87.87 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.492 1.146 . . . . 0.0 111.074 174.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -62.92 -37.13 85.74 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.204 -0.935 . . . . 0.0 112.056 174.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.93 -46.87 92.67 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-N 118.851 0.751 . . . . 0.0 112.656 170.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.2 -45.8 86.74 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.354 1.077 . . . . 0.0 112.227 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -60.11 -41.72 93.19 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.861 0.864 . . . . 0.0 111.283 172.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.475 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -63.68 -40.91 98.0 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 178.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.42 -52.14 64.72 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.131 0.972 . . . . 0.0 111.442 171.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -60.05 -42.27 94.11 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.095 0.862 . . . . 0.0 112.946 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -59.76 -45.0 93.59 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 118.557 -0.735 . . . . 0.0 111.064 172.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.3 tmm? -59.56 -47.74 84.38 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.46 1.027 . . . . 0.0 111.709 175.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -58.44 -41.35 84.88 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.44 -36.47 29.36 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 118.832 0.742 . . . . 0.0 112.311 178.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 t -71.2 -33.92 70.38 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.758 0.823 . . . . 0.0 112.77 -175.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -128.12 85.83 59.56 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.801 1.64 . . . . 0.0 108.769 176.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.46 -18.73 5.96 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 123.742 2.961 . . . . 0.0 114.675 173.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.56 -21.41 2.5 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 127.236 2.214 . . . . 0.0 115.124 165.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.6 p -86.34 -20.49 28.24 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.864 1.211 . . . . 0.0 113.228 174.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -54.05 -38.35 65.14 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.427 1.091 . . . . 0.0 113.154 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 t -53.54 -30.64 42.79 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 178.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -58.45 -32.44 68.72 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 118.069 -0.967 . . . . 0.0 113.091 176.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.5 t80 11.25 67.99 0.09 OUTLIER Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 129.201 3.0 . . . . 0.0 114.984 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -80.88 38.2 0.74 Allowed 'Trans proline' 0 CA--C 1.548 1.183 0 C-N-CA 123.589 2.859 . . . . 0.0 113.774 -158.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.296 0.7 OUTLIER 92.57 8.04 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.414 1 C-N-CA 131.815 4.046 . . . . 0.0 113.672 -170.311 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -71.52 -177.7 1.93 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.051 1.74 . . . . 0.0 114.584 -175.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -130.03 -41.95 1.26 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.14 0.976 . . . . 0.0 113.585 -173.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.4 mt 54.58 17.56 1.7 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 126.851 2.06 . . . . 0.0 116.089 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.7 m -72.73 21.29 0.07 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 126.671 1.989 . . . . 0.0 115.804 -176.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 63.39 142.16 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.804 2.442 . . . . 0.0 112.91 -164.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.15 20.99 73.54 Favored Glycine 0 CA--C 1.54 1.61 0 O-C-N 121.08 -1.012 . . . . 0.0 115.112 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.5 t -62.91 114.5 3.69 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 118.506 1.153 . . . . 0.0 113.248 -176.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.3 -33.86 63.64 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.655 1.182 . . . . 0.0 112.746 171.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -67.41 -41.18 85.32 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.31 1.044 . . . . 0.0 111.314 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.19 -38.0 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.682 -0.636 . . . . 0.0 111.462 172.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -62.19 -48.48 79.87 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 119.311 0.959 . . . . 0.0 111.174 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.17 -44.3 98.31 Favored Glycine 0 N--CA 1.472 1.053 0 C-N-CA 124.281 0.943 . . . . 0.0 113.121 177.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -61.0 -42.77 99.08 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.502 -0.999 . . . . 0.0 111.782 173.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.36 -48.53 83.28 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 124.197 0.903 . . . . 0.0 113.204 172.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -55.25 -40.88 71.45 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.239 1.015 . . . . 0.0 112.164 172.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -65.24 -51.4 61.13 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 173.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.7 t -55.65 -43.21 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-N 120.372 1.442 . . . . 0.0 111.046 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.431 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -63.52 -51.0 67.37 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 176.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -61.84 -29.93 70.51 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.489 -0.757 . . . . 0.0 112.046 176.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.496 ' HB2' HMA1 ' A' ' 201' ' ' HEC . . . -66.89 -36.04 81.39 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.133 -0.979 . . . . 0.0 113.226 168.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.57 -39.16 88.34 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.354 0.979 . . . . 0.0 111.696 168.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.1 m -58.72 -48.72 80.18 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.915 1.234 . . . . 0.0 111.725 169.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -61.1 -37.99 84.71 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.9 1.68 . . . . 0.0 112.919 175.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.01 -61.0 2.87 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.147 0.885 . . . . 0.0 110.129 165.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.0 t -51.47 -37.42 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.067 1.347 . . . . 0.0 113.095 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.99 -26.59 65.1 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -134.94 15.95 3.55 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.817 1.247 . . . . 0.0 113.346 -169.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.5 p -60.24 -30.1 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.056 1.342 . . . . 0.0 114.488 -165.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -61.07 -16.31 42.4 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.755 1.222 . . . . 0.0 113.737 172.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -136.94 28.13 2.9 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 128.317 2.647 . . . . 0.0 110.947 -176.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.5 ttp -50.94 -36.41 24.65 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 116.717 2.118 . . . . 0.0 116.717 -173.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -64.39 36.42 0.1 Allowed 'Trans proline' 0 CA--C 1.557 1.655 0 C-N-CA 124.918 3.745 . . . . 0.0 116.56 170.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -145.75 -40.96 0.22 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.305 2.242 . . . . 0.0 110.543 162.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.69 -29.2 69.93 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.9 mt -100.12 0.67 41.12 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -55.73 -41.2 73.53 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -171.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.5 -28.48 67.08 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.146 0.885 . . . . 0.0 113.243 175.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.7 mt -83.95 -42.31 16.41 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.603 1.161 . . . . 0.0 110.288 -178.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.7 m -55.16 -40.29 70.49 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 122.717 0.407 . . . . 0.0 111.284 166.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -51.41 70.18 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.041 0.936 . . . . 0.0 111.627 174.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -45.19 90.23 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.201 -0.937 . . . . 0.0 111.261 175.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.19 -26.53 68.4 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.199 1.0 . . . . 0.0 113.237 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.81 -17.45 16.21 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.979 1.312 . . . . 0.0 114.502 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -131.0 -35.25 1.41 Allowed 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.278 1.585 . . . . 0.0 115.278 -171.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -65.23 -46.29 81.21 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 120.473 1.488 . . . . 0.0 109.821 173.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.98 -132.9 0.05 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.491 2.317 . . . . 0.0 108.189 172.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.84 54.88 0.83 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.402 1.081 . . . . 0.0 113.477 -166.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 76.4 t -52.42 103.09 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 124.146 0.978 . . . . 0.0 112.474 -172.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.01 134.15 89.79 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 123.515 0.726 . . . . 0.0 112.216 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -48.43 -33.1 22.04 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 125.165 3.91 . . . . 0.0 116.585 -176.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.2 p -47.04 -39.36 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.02 0.928 . . . . 0.0 113.049 173.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -73.53 -28.69 62.02 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.34 -0.85 . . . . 0.0 112.181 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -60.95 -48.77 80.3 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 119.062 0.846 . . . . 0.0 109.712 167.266 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -55.23 -45.92 75.97 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.707 0.685 . . . . 0.0 110.581 -177.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 64.2 mt -58.45 -62.97 1.45 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.7 1.2 . . . . 0.0 110.904 173.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.8 tp -52.11 -46.01 65.14 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.687 0.795 . . . . 0.0 112.776 -178.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.1 t -56.3 -51.25 68.89 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.522 1.129 . . . . 0.0 111.8 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -60.24 -45.65 92.5 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.887 -0.508 . . . . 0.0 111.21 175.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.475 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 59.6 m -59.07 -40.57 85.6 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.741 -0.6 . . . . 0.0 112.324 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 64.6 mt -64.38 -46.06 85.0 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.872 0.869 . . . . 0.0 111.478 175.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.2 mt -55.95 -45.04 78.97 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.475 -0.766 . . . . 0.0 111.194 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 20.1 t -59.69 -46.6 93.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 124.583 1.153 . . . . 0.0 112.573 176.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.5 p -66.64 -42.76 86.23 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.728 1.149 . . . . 0.0 111.787 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.04 -45.48 90.64 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.47 1.032 . . . . 0.0 110.787 175.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.23 -27.61 55.5 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.82 -12.03 60.01 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -128.34 -17.48 4.22 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -170.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -111.94 130.66 23.0 Favored Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 124.308 1.043 . . . . 0.0 109.427 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -47.47 -47.55 17.54 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 124.795 3.663 . . . . 0.0 117.632 -158.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.459 ' HA ' ' CE2' ' A' ' 117' ' ' PHE . . . -134.28 18.31 3.7 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 124.288 1.035 . . . . 0.0 112.164 -178.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -16.69 5.69 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 117.11 2.263 . . . . 0.0 117.11 -155.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.459 ' CE2' ' HA ' ' A' ' 115' ' ' ALA . 26.7 p90 -66.35 11.96 0.08 Allowed 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 126.514 1.926 . . . . 0.0 113.349 162.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -54.93 162.67 1.76 Allowed Pre-proline 0 N--CA 1.48 1.055 0 C-N-CA 126.189 1.796 . . . . 0.0 112.549 -176.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -52.22 -50.25 14.63 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.646 2.231 . . . . 0.0 113.315 172.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -67.56 -60.28 2.68 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.61 -35.13 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 120.677 -1.264 . . . . 0.0 112.827 -167.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -79.14 -45.3 20.26 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.876 1.216 . . . . 0.0 113.544 176.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.94 -48.45 73.14 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 120.291 1.405 . . . . 0.0 110.199 173.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.1 m -59.93 -57.0 14.78 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.576 1.151 . . . . 0.0 111.652 177.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 28.0 mt -58.31 -42.36 86.52 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 121.471 1.942 . . . . 0.0 113.534 177.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -60.06 -52.46 65.27 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.916 1.235 . . . . 0.0 111.67 177.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -27.75 63.64 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -68.12 -49.57 60.27 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.116 1.366 . . . . 0.0 110.642 172.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -59.79 -39.33 84.59 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.012 0.824 . . . . 0.0 111.196 172.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.57 -33.8 75.69 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 171.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 36.8 t -71.43 -45.12 63.5 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.539 -1.35 . . . . 0.0 112.27 170.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.7 t -51.98 -54.98 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 123.879 0.872 . . . . 0.0 109.436 173.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 96.1 p -64.09 -42.64 96.87 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 119.264 0.938 . . . . 0.0 113.151 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.5 m -49.82 -47.78 51.23 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.462 1.028 . . . . 0.0 110.923 171.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 90.3 t -71.21 -44.47 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 O-C-N 121.173 -0.954 . . . . 0.0 111.206 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -16.48 64.02 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.4 t -101.2 -17.27 16.7 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.29 1.436 . . . . 0.0 112.4 172.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.6 t -66.41 163.62 17.95 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.143 0.977 . . . . 0.0 112.108 166.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -152.22 123.96 7.92 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.671 1.588 . . . . 0.0 110.911 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -111.26 -44.35 3.57 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.017 1.327 . . . . 0.0 112.781 -175.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.252 1.217 0 C-N-CA 125.307 1.443 . . . . 0.0 112.603 -176.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.34 2.2 p . . . . . 0 N--CA 1.515 2.808 0 CA-C-O 116.859 -1.543 . . . . 0.0 113.206 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 5.1 m170 40.08 77.73 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 120.493 1.497 . . . . 0.0 113.69 -173.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.0 mt -58.41 114.51 2.47 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.156 -0.965 . . . . 0.0 109.709 170.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.63 134.26 82.46 Favored Pre-proline 0 N--CA 1.471 0.583 0 C-N-CA 126.189 1.796 . . . . 0.0 109.042 174.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -49.43 -42.73 40.71 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.068 2.512 . . . . 0.0 116.386 -168.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.77 -40.56 88.25 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.546 -0.721 . . . . 0.0 111.923 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.41 -44.72 82.19 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.022 0.929 . . . . 0.0 111.51 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -43.19 82.88 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.855 1.207 . . . . 0.0 111.593 171.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t -57.67 -45.97 84.88 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.491 1.042 . . . . 0.0 110.745 173.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.91 -59.47 5.19 Favored 'General case' 0 CA--C 1.551 0.992 0 O-C-N 121.619 -0.676 . . . . 0.0 112.731 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.49 HG23 ' CE2' ' B' ' 130' ' ' TYR . 2.6 p -63.63 -46.32 95.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 CA-C-N 119.751 1.16 . . . . 0.0 112.537 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -75.48 -31.83 60.37 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.246 0.93 . . . . 0.0 112.044 -172.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.67 -36.99 83.85 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 120.634 1.561 . . . . 0.0 111.987 171.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -32.71 70.57 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.57 -0.706 . . . . 0.0 111.616 173.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -60.75 -43.99 97.27 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.468 -0.77 . . . . 0.0 112.134 165.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.37 -32.05 57.35 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.758 1.647 . . . . 0.0 115.35 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -95.55 -13.01 24.8 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 174.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.95 132.25 27.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.563 1.145 . . . . 0.0 111.525 -175.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -82.87 91.74 7.15 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.668 0.787 . . . . 0.0 109.178 172.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 90.5 t -54.76 -36.87 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 CA-C-N 119.408 1.004 . . . . 0.0 113.57 -171.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -63.41 -54.59 34.23 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.873 0.761 . . . . 0.0 112.82 172.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.79 -55.97 5.93 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 119.337 -0.364 . . . . 0.0 110.183 -175.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -27.43 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 119.183 0.901 . . . . 0.0 112.834 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.92 -46.68 13.1 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-N 119.012 0.824 . . . . 0.0 112.248 175.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.0 -41.23 99.94 Favored Glycine 0 N--CA 1.469 0.872 0 CA-C-N 118.297 1.048 . . . . 0.0 112.759 171.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -54.48 -65.77 0.52 Allowed 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 125.052 1.341 . . . . 0.0 109.645 167.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.446 ' HA ' HG11 ' B' ' 113' ' ' VAL . . . -54.51 -52.06 63.15 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 121.037 1.744 . . . . 0.0 113.474 -176.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 tp -70.95 -39.81 72.36 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.445 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.0 -43.35 99.29 Favored Glycine 0 N--CA 1.468 0.773 0 CA-C-N 119.777 1.171 . . . . 0.0 111.728 171.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -40.67 57.34 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.583 1.553 . . . . 0.0 111.41 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' B' ' 106' ' ' LEU . 26.0 tp -49.79 -40.74 42.54 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.713 0.805 . . . . 0.0 111.873 176.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.77 -29.8 19.51 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 122.014 -0.429 . . . . 0.0 110.797 -176.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 1.4 m -67.44 -18.25 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 177.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.8 2.42 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 119.656 1.116 . . . . 0.0 113.413 168.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.61 39.25 0.6 Allowed Pre-proline 0 CA--C 1.563 1.463 0 C-N-CA 126.249 1.819 . . . . 0.0 114.777 -173.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -83.75 158.43 14.05 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.235 1.957 . . . . 0.0 111.736 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 33.1 p90 -48.42 -36.12 14.18 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.01 0.924 . . . . 0.0 113.125 172.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 2.4 m -49.74 -30.87 10.2 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.888 1.675 . . . . 0.0 114.215 177.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -58.55 -28.26 65.32 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -30.18 69.95 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.535 0.734 . . . . 0.0 112.412 -177.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -87.53 -4.5 58.98 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 176.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -89.72 8.7 30.33 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.884 0.874 . . . . 0.0 112.896 175.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -53.76 -31.69 49.55 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.428 -1.42 . . . . 0.0 113.347 170.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 46.9 p -59.35 -22.63 61.61 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.94 1.296 . . . . 0.0 114.33 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -79.5 -11.41 59.9 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.973 1.309 . . . . 0.0 112.991 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.52 -173.58 11.8 Favored Glycine 0 CA--C 1.537 1.419 0 CA-C-N 119.219 0.918 . . . . 0.0 113.515 -170.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 45.68 -124.29 1.2 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.463 1.105 . . . . 0.0 111.073 -170.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 tt 64.74 -22.03 0.08 Allowed 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 127.407 2.283 . . . . 0.0 116.172 172.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -50.75 -29.74 12.22 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 127.663 2.385 . . . . 0.0 113.729 173.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 11.0 p -127.66 155.0 77.79 Favored Pre-proline 0 N--CA 1.473 0.675 0 C-N-CA 124.408 1.083 . . . . 0.0 109.513 161.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -70.3 -33.16 15.04 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.125 1.216 . . . . 0.0 113.413 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -58.74 -38.87 79.34 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.955 0.798 . . . . 0.0 110.612 172.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.65 -43.94 92.02 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 118.317 -0.849 . . . . 0.0 112.127 171.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -34.27 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 CA-C-N 121.218 1.826 . . . . 0.0 113.213 177.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 2.0 ttm -74.46 -34.71 63.23 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.859 0.864 . . . . 0.0 113.112 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.4 -31.76 36.61 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 123.757 0.694 . . . . 0.0 114.301 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -49.67 116.4 6.03 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 126.106 1.763 . . . . 0.0 113.606 -171.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -62.53 -26.86 76.35 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.741 2.294 . . . . 0.0 113.292 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -65.76 -43.24 89.47 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.506 1.048 . . . . 0.0 112.165 174.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 26.5 t -69.97 -35.26 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 O-C-N 121.487 -0.758 . . . . 0.0 111.392 174.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -63.04 -51.9 64.92 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 119.793 1.179 . . . . 0.0 112.217 171.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.39 -46.66 88.06 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.299 1.04 . . . . 0.0 112.604 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -68.05 -35.39 78.16 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.936 -1.103 . . . . 0.0 112.425 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.73 -46.21 83.26 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.907 1.241 . . . . 0.0 112.819 169.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.86 -42.25 79.43 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.268 1.034 . . . . 0.0 111.845 169.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -66.08 -49.64 66.89 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.17 0.895 . . . . 0.0 113.258 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 4.6 m -62.66 -39.84 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 CA-C-N 120.047 1.294 . . . . 0.0 111.718 175.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 tt -71.19 -36.67 72.03 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 120.715 -1.241 . . . . 0.0 112.213 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.78 -35.72 76.02 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.616 1.103 . . . . 0.0 113.049 168.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.41 -45.67 75.45 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.268 -1.136 . . . . 0.0 112.453 168.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -57.88 -37.79 74.6 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 120.398 -1.439 . . . . 0.0 112.915 172.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 38.4 p -73.25 -36.73 66.45 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.474 1.034 . . . . 0.0 113.435 176.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -55.46 -35.58 65.65 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.361 0.982 . . . . 0.0 111.239 165.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.12 -63.64 5.11 Favored Glycine 0 C--N 1.34 0.802 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 167.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 mt -54.01 -21.24 7.77 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 177.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.5 -20.87 22.2 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.719 1.608 . . . . 0.0 114.889 175.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -139.71 41.96 2.0 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.342 1.457 . . . . 0.0 113.257 -171.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.92 -11.52 28.82 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 177.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -4.88 42.76 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.93 0.892 . . . . 0.0 113.31 171.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.38 -63.41 1.39 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -171.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 51.03 -13.46 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 128.51 2.724 . . . . 0.0 118.266 -171.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -119.62 -57.54 1.97 Allowed 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 120.731 1.605 . . . . 0.0 111.153 -178.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.23 -39.41 94.54 Favored Glycine 0 CA--C 1.537 1.458 0 CA-C-N 118.811 0.732 . . . . 0.0 114.061 176.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 3.2 t -71.85 -18.89 62.04 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -121.48 5.76 10.12 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.49 1.292 . . . . 0.0 114.49 -175.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.02 -39.8 69.51 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 120.803 1.638 . . . . 0.0 113.409 -173.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 17.0 p -63.81 -44.07 94.38 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.813 1.245 . . . . 0.0 112.654 173.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 20.9 mt -68.25 -39.45 82.25 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.584 -0.697 . . . . 0.0 111.896 175.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -63.44 -38.52 91.45 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.249 1.02 . . . . 0.0 111.682 175.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -64.9 -49.82 68.98 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.162 -0.962 . . . . 0.0 112.047 170.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 12.4 tp -50.64 -54.69 20.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.094 0.958 . . . . 0.0 111.363 173.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -74.62 10.95 1.14 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.79 1.236 . . . . 0.0 114.209 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 41.9 t -130.55 -58.64 1.04 Allowed 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.951 -1.093 . . . . 0.0 111.715 174.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.64 -40.01 70.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.172 0.989 . . . . 0.0 113.005 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -41.55 15.97 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.39 0.676 . . . . 0.0 112.36 178.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.93 82.07 1.44 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.633 1.573 . . . . 0.0 111.551 -176.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -66.09 28.81 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 126.946 2.098 . . . . 0.0 115.127 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 76.2 t -51.41 145.29 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 128.044 2.537 . . . . 0.0 112.377 -173.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -56.88 131.94 79.31 Favored Pre-proline 0 CA--C 1.553 1.059 0 O-C-N 121.469 -0.769 . . . . 0.0 112.914 -178.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -49.73 -30.03 21.54 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 124.018 3.145 . . . . 0.0 115.558 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -42.64 -46.4 4.99 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.399 1.479 . . . . 0.0 113.976 169.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -65.19 -31.71 73.03 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.27 -0.894 . . . . 0.0 112.77 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -67.1 -45.77 76.23 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.936 0.895 . . . . 0.0 110.117 176.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -63.05 -38.31 90.66 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 119.365 -0.35 . . . . 0.0 111.696 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 13.7 mt -60.47 -48.49 81.51 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.071 0.949 . . . . 0.0 112.755 172.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.406 ' HA ' HD13 ' B' ' 31' ' ' LEU . 1.4 tt -56.99 -42.36 80.12 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 118.773 0.715 . . . . 0.0 110.952 174.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.35 -63.73 5.02 Favored Glycine 0 CA--C 1.524 0.632 0 C-N-CA 124.475 1.035 . . . . 0.0 114.04 172.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -44.71 -49.31 10.56 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.159 1.783 . . . . 0.0 110.792 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 36.9 t -59.74 -52.36 61.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 123.636 0.774 . . . . 0.0 112.223 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 58.7 tp -56.33 -51.9 66.55 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.724 1.147 . . . . 0.0 110.946 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.429 HG12 ' HB3' ' B' ' 130' ' ' TYR . 1.4 m -62.69 -31.78 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.915 -179.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 21.9 t -65.82 -42.82 90.13 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.218 0.463 . . . . 0.0 111.88 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . 0.446 HG11 ' HA ' ' B' ' 27' ' ' ALA 0.262 1.7 m -68.95 -37.32 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 120.678 -1.264 . . . . 0.0 112.614 -178.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.78 -36.46 83.96 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.53 -0.731 . . . . 0.0 110.943 172.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.08 69.55 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 172.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . 0.451 ' CG ' ' CE2' ' A' ' 117' ' ' PHE . 0.9 OUTLIER -77.74 -50.0 13.28 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.649 1.113 . . . . 0.0 112.216 172.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.96 -19.24 61.92 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -167.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -128.93 41.27 3.51 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.231 1.813 . . . . 0.0 110.04 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -54.61 -22.86 26.45 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 126.022 1.772 . . . . 0.0 116.114 -177.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -79.63 -8.73 59.38 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.849 1.324 . . . . 0.0 113.744 173.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -128.73 3.94 5.48 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 127.484 2.314 . . . . 0.0 112.586 -172.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.11 27.03 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 127.081 2.152 . . . . 0.0 116.125 -171.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 29.1 p -46.31 144.34 3.27 Favored Pre-proline 0 N--CA 1.48 1.065 0 O-C-N 120.566 -1.334 . . . . 0.0 113.562 -165.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -40.47 -45.96 4.46 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 C-N-CA 123.402 2.734 . . . . 0.0 116.102 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.69 -27.23 27.07 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 121.696 1.597 . . . . 0.0 115.057 173.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -44.75 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 CA-C-N 121.998 2.181 . . . . 0.0 111.85 174.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -73.73 -28.25 61.61 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 118.215 -0.898 . . . . 0.0 112.41 175.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.37 -48.31 67.81 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.853 1.66 . . . . 0.0 111.769 170.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.56 81.15 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 124.944 1.297 . . . . 0.0 111.369 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.49 ' CE2' HG23 ' B' ' 11' ' ' VAL . 1.0 OUTLIER -54.52 -51.47 65.06 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 118.571 -0.728 . . . . 0.0 111.535 170.785 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.13 -36.15 74.71 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.745 1.157 . . . . 0.0 112.975 178.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -66.83 -44.01 82.24 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.764 1.166 . . . . 0.0 112.833 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.82 -39.83 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.133 -0.98 . . . . 0.0 112.416 172.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 19.9 t -60.75 -42.25 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.665 1.186 . . . . 0.0 112.058 176.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.04 96.42 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.616 1.166 . . . . 0.0 111.806 174.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -54.52 -49.85 59.28 Favored Glycine 0 CA--C 1.529 0.945 0 CA-C-O 119.733 -0.482 . . . . 0.0 112.148 169.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 3.7 t -58.28 -47.87 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 117.946 0.873 . . . . 0.0 112.191 172.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.82 -47.67 79.75 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 120.28 1.4 . . . . 0.0 111.908 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -66.52 -35.95 81.51 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.744 -0.597 . . . . 0.0 112.259 176.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.5 79.44 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.015 -1.053 . . . . 0.0 112.561 173.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.17 -27.99 66.89 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.119 -0.988 . . . . 0.0 111.812 177.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . 0.489 ' HA ' ' CE1' ' B' ' 145' ' ' TYR . . . -77.56 -6.7 54.59 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.83 1.418 . . . . 0.0 114.83 168.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -62.7 -42.24 99.53 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 119.706 -1.871 . . . . 0.0 113.041 -167.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.6 -9.43 3.82 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.404 1.481 . . . . 0.0 114.872 176.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 145' ' ' TYR . . . . . 0.489 ' CE1' ' HA ' ' B' ' 142' ' ' ALA . 1.7 m-30 -70.95 -27.09 63.49 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.456 1.025 . . . . 0.0 111.639 -177.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 60.5 m80 . . . . . 0 C--O 1.254 1.312 0 C-N-CA 126.123 1.769 . . . . 0.0 112.915 177.797 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.518 2.934 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 21.8 mt -148.52 -167.24 2.76 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 126.287 1.835 . . . . 0.0 110.929 -170.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.3 152.41 64.12 Favored Pre-proline 0 N--CA 1.486 1.359 0 CA-C-N 119.989 1.268 . . . . 0.0 113.014 -175.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -67.68 -50.17 0.96 Allowed 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.229 2.619 . . . . 0.0 112.806 -174.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.35 87.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 122.856 0.463 . . . . 0.0 111.11 175.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -53.69 54.5 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.268 1.027 . . . . 0.0 113.154 178.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -55.23 -46.58 75.98 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-O 118.137 -0.935 . . . . 0.0 111.392 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 54.2 m -56.03 -45.21 79.23 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.988 1.267 . . . . 0.0 112.638 175.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -62.8 -42.22 99.62 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.111 0.869 . . . . 0.0 112.204 177.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 81.7 t -73.75 -38.0 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 118.558 -0.734 . . . . 0.0 111.379 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -56.05 -48.18 76.51 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 119.48 1.036 . . . . 0.0 110.94 167.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.82 -51.92 67.68 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.188 0.595 . . . . 0.0 111.673 177.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.13 -54.12 47.29 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.493 0.717 . . . . 0.0 111.69 176.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -62.3 -26.96 68.71 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.89 -42.5 96.91 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 124.677 1.132 . . . . 0.0 113.464 170.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -70.41 -36.92 74.33 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 118.577 1.189 . . . . 0.0 111.012 173.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 53.6 t -57.35 -50.78 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 124.957 1.303 . . . . 0.0 111.179 175.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.75 -134.0 11.42 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 123.939 0.781 . . . . 0.0 114.054 176.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.71 -22.42 57.39 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -70.72 -8.71 54.16 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 175.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.436 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -47.08 -49.73 21.13 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.247 0.93 . . . . 0.0 112.581 177.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.86 -38.89 96.11 Favored Glycine 0 C--N 1.34 0.752 0 CA-C-O 119.226 -0.763 . . . . 0.0 113.9 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.83 -42.98 89.86 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.4 1.1 . . . . 0.0 111.09 174.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -63.06 -37.05 85.66 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.261 -0.899 . . . . 0.0 112.048 174.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.85 -46.82 92.81 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-N 118.877 0.762 . . . . 0.0 112.74 170.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.37 -45.72 86.5 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.173 0.986 . . . . 0.0 112.097 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -60.05 -41.72 92.91 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.851 0.86 . . . . 0.0 111.387 172.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.464 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -63.91 -40.71 97.11 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 178.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 73.0 mt -62.53 -51.97 65.3 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.083 0.953 . . . . 0.0 111.488 170.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -60.31 -42.2 95.05 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.099 0.863 . . . . 0.0 112.844 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -59.73 -44.94 93.55 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 118.585 -0.722 . . . . 0.0 111.096 172.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 9.3 tmm? -59.78 -47.45 85.62 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.379 0.99 . . . . 0.0 111.662 175.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -58.77 -41.23 86.12 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.29 -36.44 29.84 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 118.808 0.731 . . . . 0.0 112.531 177.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 7.4 t -71.17 -33.85 70.39 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.808 0.843 . . . . 0.0 112.82 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -128.22 85.75 59.7 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.907 1.683 . . . . 0.0 108.75 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.54 -18.67 6.11 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.684 2.923 . . . . 0.0 114.653 173.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -21.36 2.23 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 127.377 2.271 . . . . 0.0 115.108 165.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 26.8 p -86.55 -20.61 27.72 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.959 1.254 . . . . 0.0 113.305 174.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -53.86 -38.42 64.68 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.41 1.084 . . . . 0.0 113.229 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 2.8 t -53.28 -30.95 41.4 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 178.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -58.28 -32.53 68.5 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 118.132 -0.937 . . . . 0.0 113.156 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 2.5 t80 11.25 67.98 0.09 OUTLIER Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 129.122 2.969 . . . . 0.0 115.072 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -80.83 38.08 0.73 Allowed 'Trans proline' 0 CA--C 1.548 1.213 0 C-N-CA 123.601 2.867 . . . . 0.0 113.794 -158.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.297 0.7 OUTLIER 92.68 7.97 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.38 1 C-N-CA 131.787 4.035 . . . . 0.0 113.715 -170.315 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -71.45 -177.66 1.89 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.963 1.705 . . . . 0.0 114.73 -175.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -130.05 -41.95 1.26 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.125 0.97 . . . . 0.0 113.51 -173.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 mt 54.48 17.56 1.65 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.943 2.097 . . . . 0.0 116.143 175.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 66.1 m -72.63 21.23 0.07 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 126.668 1.987 . . . . 0.0 115.748 -176.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 63.36 142.16 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 127.839 2.455 . . . . 0.0 112.897 -164.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.06 21.15 73.45 Favored Glycine 0 CA--C 1.541 1.715 0 O-C-N 121.026 -1.046 . . . . 0.0 115.18 -177.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 26.3 t -62.94 114.64 3.79 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.483 1.113 . . . . 0.0 113.205 -176.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.28 -34.04 63.75 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.663 1.185 . . . . 0.0 112.778 171.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -67.38 -41.13 85.52 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.215 1.006 . . . . 0.0 111.375 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 90.3 t -65.23 -37.91 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 O-C-N 121.567 -0.708 . . . . 0.0 111.402 172.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -62.16 -48.54 79.62 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 119.29 0.95 . . . . 0.0 111.225 176.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.09 -44.49 98.1 Favored Glycine 0 N--CA 1.472 1.097 0 C-N-CA 124.196 0.903 . . . . 0.0 113.121 177.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.81 -42.71 98.17 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.414 -1.051 . . . . 0.0 111.817 173.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.42 -48.65 82.75 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 124.137 0.875 . . . . 0.0 113.19 172.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -55.11 -40.78 70.88 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.307 1.043 . . . . 0.0 112.245 172.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -65.34 -51.48 60.26 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 173.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 88.1 t -55.6 -43.24 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 CA-C-N 120.333 1.424 . . . . 0.0 110.983 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . 0.436 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -63.53 -51.1 66.92 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 123.943 0.897 . . . . 0.0 113.323 176.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -61.68 -30.03 70.47 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.478 -0.764 . . . . 0.0 112.058 176.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 65' ' ' ALA . . . . . 0.516 ' HB2' HMA1 ' C' ' 201' ' ' HEC . . . -67.06 -36.01 81.1 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.27 -0.894 . . . . 0.0 113.235 169.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.37 -39.08 88.89 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.346 0.975 . . . . 0.0 111.847 168.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 78.9 m -58.62 -49.0 79.11 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.985 1.266 . . . . 0.0 111.674 169.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -60.83 -38.1 84.3 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.889 1.676 . . . . 0.0 113.037 175.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.13 -60.76 3.25 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 119.078 0.853 . . . . 0.0 110.181 165.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 53.3 t -51.5 -37.51 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.108 1.363 . . . . 0.0 113.013 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.01 -26.49 65.03 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 177.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -134.93 15.91 3.55 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.814 1.246 . . . . 0.0 113.46 -169.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 5.4 p -60.2 -30.14 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.958 1.303 . . . . 0.0 114.513 -165.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.98 -16.32 41.68 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.672 1.189 . . . . 0.0 113.766 172.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -137.0 28.2 2.88 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 128.338 2.655 . . . . 0.0 110.853 -176.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 11.4 ttp -51.02 -36.48 25.64 Favored Pre-proline 0 CA--C 1.548 0.887 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 -173.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -64.31 35.75 0.1 OUTLIER 'Trans proline' 0 CA--C 1.558 1.706 0 C-N-CA 124.851 3.701 . . . . 0.0 116.641 170.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -145.0 -40.96 0.24 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.084 2.154 . . . . 0.0 110.559 162.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.71 -29.05 69.85 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -178.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 85.2 mt -100.07 0.5 40.91 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 67.4 m -55.64 -41.37 73.45 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -171.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.27 -28.59 66.88 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.143 0.883 . . . . 0.0 113.325 175.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 11.7 mt -83.81 -42.29 16.61 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.565 1.146 . . . . 0.0 110.336 -178.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 14.8 m -55.2 -40.32 70.62 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.812 0.445 . . . . 0.0 111.208 166.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.07 -51.38 70.31 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.0 0.92 . . . . 0.0 111.587 174.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.91 -44.94 91.36 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.196 -0.94 . . . . 0.0 111.225 175.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -26.67 68.52 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.23 1.012 . . . . 0.0 113.172 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.78 -17.39 16.26 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.978 1.311 . . . . 0.0 114.529 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -131.01 -35.34 1.4 Allowed 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -171.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -65.28 -46.3 81.01 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 120.52 1.509 . . . . 0.0 109.832 173.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.91 -132.83 0.05 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.497 2.319 . . . . 0.0 108.245 172.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.82 54.0 0.83 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.38 1.072 . . . . 0.0 113.56 -166.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 76.7 t -51.68 103.15 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 124.306 1.042 . . . . 0.0 112.614 -172.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.23 134.27 89.3 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 123.473 0.709 . . . . 0.0 112.152 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -48.53 -33.07 22.51 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 125.171 3.914 . . . . 0.0 116.648 -176.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 14.4 p -47.14 -39.25 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 119.178 0.899 . . . . 0.0 113.047 173.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -73.51 -28.74 62.06 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 121.311 -0.868 . . . . 0.0 112.091 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -60.96 -48.73 80.45 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.116 0.871 . . . . 0.0 109.768 167.316 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -55.35 -45.77 76.45 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 118.631 0.65 . . . . 0.0 110.576 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 64.6 mt -58.5 -62.93 1.49 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.676 1.19 . . . . 0.0 110.964 173.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 56.3 tp -52.06 -45.94 64.93 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.718 0.807 . . . . 0.0 112.789 -178.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 41.1 t -56.46 -51.38 68.67 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.622 1.169 . . . . 0.0 111.626 177.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -60.11 -45.68 92.16 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 122.061 -0.399 . . . . 0.0 111.269 175.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 104' ' ' CYS . . . . . 0.464 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 59.6 m -58.85 -40.9 85.64 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.69 -0.631 . . . . 0.0 112.306 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 64.8 mt -64.35 -45.89 85.82 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.875 0.87 . . . . 0.0 111.423 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.04 -44.99 79.32 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.545 -0.722 . . . . 0.0 111.05 173.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 20.2 t -59.93 -46.57 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.651 1.181 . . . . 0.0 112.401 176.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 10.6 p -66.54 -42.92 86.46 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.78 1.173 . . . . 0.0 111.72 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.06 -45.38 90.94 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.538 1.063 . . . . 0.0 110.811 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.08 -27.87 55.37 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.6 -12.04 60.0 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 178.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -128.47 -17.45 4.16 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 -170.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -111.95 130.78 22.89 Favored Pre-proline 0 CA--C 1.555 1.163 0 C-N-CA 124.266 1.026 . . . . 0.0 109.343 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -47.58 -47.66 17.51 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 124.807 3.672 . . . . 0.0 117.488 -158.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . 0.46 ' HA ' ' CE2' ' C' ' 117' ' ' PHE . . . -134.21 18.41 3.72 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.369 1.067 . . . . 0.0 112.171 -178.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.43 -16.4 5.72 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 117.149 2.277 . . . . 0.0 117.149 -155.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 117' ' ' PHE . . . . . 0.461 ' CE2' ' CG ' ' D' ' 116' ' ' HIS . 27.0 p90 -66.56 12.16 0.08 Allowed 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 126.48 1.912 . . . . 0.0 113.287 162.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.15 162.88 1.81 Allowed Pre-proline 0 N--CA 1.48 1.047 0 C-N-CA 126.138 1.775 . . . . 0.0 112.471 -176.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -52.29 -50.33 14.39 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.675 2.25 . . . . 0.0 113.25 172.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -67.61 -60.26 2.69 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.6 -35.14 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 O-C-N 120.839 -1.163 . . . . 0.0 112.909 -167.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -79.01 -45.56 19.97 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.845 1.202 . . . . 0.0 113.486 176.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.77 -48.59 72.47 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 120.301 1.41 . . . . 0.0 110.245 173.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 50.4 m -59.88 -57.04 14.59 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.653 176.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 27.3 mt -58.38 -42.26 86.65 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 121.507 1.958 . . . . 0.0 113.534 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.76 -52.72 64.29 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 120.074 1.306 . . . . 0.0 111.71 176.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -27.7 63.56 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -68.13 -49.46 60.96 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.062 1.345 . . . . 0.0 110.693 172.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -59.81 -39.4 84.92 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.965 0.802 . . . . 0.0 111.213 172.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.59 -33.66 75.43 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 119.523 1.056 . . . . 0.0 113.78 171.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 36.9 t -71.61 -45.19 62.87 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.622 -1.299 . . . . 0.0 112.119 170.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 57.6 t -51.96 -54.92 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 123.871 0.868 . . . . 0.0 109.487 173.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 95.7 p -64.22 -42.59 96.51 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 119.156 0.889 . . . . 0.0 113.112 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 1.5 m -49.99 -47.64 52.75 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.522 1.055 . . . . 0.0 110.98 171.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 89.2 t -71.1 -44.58 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 O-C-N 121.155 -0.966 . . . . 0.0 111.276 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -16.34 63.95 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 1.4 t -101.23 -17.24 16.69 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.197 1.399 . . . . 0.0 112.427 172.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 15.9 t -66.39 163.62 17.9 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.2 1.0 . . . . 0.0 112.047 166.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 13.7 pttm -152.22 123.8 7.84 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.556 1.542 . . . . 0.0 110.761 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -111.05 -44.3 3.61 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.975 1.31 . . . . 0.0 112.857 -175.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.255 0 C-N-CA 125.464 1.505 . . . . 0.0 112.706 -176.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.337 2.2 p . . . . . 0 N--CA 1.515 2.8 0 CA-C-O 116.674 -1.631 . . . . 0.0 113.233 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 5.1 m170 39.99 77.74 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 120.583 1.538 . . . . 0.0 113.757 -173.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 63.3 mt -58.41 114.47 2.46 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.135 -0.978 . . . . 0.0 109.68 170.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.63 134.3 82.47 Favored Pre-proline 0 N--CA 1.472 0.658 0 C-N-CA 126.165 1.786 . . . . 0.0 109.08 174.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.52 -42.72 41.37 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.094 2.529 . . . . 0.0 116.351 -168.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.92 -40.38 87.61 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.648 -0.658 . . . . 0.0 111.904 176.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.39 -44.66 82.47 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.147 0.979 . . . . 0.0 111.526 173.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -43.23 83.56 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.787 1.176 . . . . 0.0 111.482 171.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 16.9 t -57.74 -45.86 85.26 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.439 1.018 . . . . 0.0 110.83 173.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.78 -59.43 5.23 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 175.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 11' ' ' VAL . . . . . 0.497 HG23 ' CE2' ' D' ' 130' ' ' TYR . 2.6 p -63.7 -46.23 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 CA-C-N 119.757 1.162 . . . . 0.0 112.462 -179.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -75.54 -32.08 60.31 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.321 0.964 . . . . 0.0 111.961 -172.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.69 -37.07 83.98 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.474 1.488 . . . . 0.0 111.875 171.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -32.81 70.82 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.461 -0.775 . . . . 0.0 111.631 173.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 7.3 t90 -60.56 -44.06 96.58 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.524 -0.735 . . . . 0.0 112.087 165.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.57 -31.99 57.86 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.693 1.616 . . . . 0.0 115.266 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -95.57 -13.06 24.73 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 118.283 1.041 . . . . 0.0 113.76 174.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.77 132.19 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.748 1.219 . . . . 0.0 111.491 -175.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -82.88 91.78 7.17 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.714 0.806 . . . . 0.0 109.184 172.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -54.76 -36.75 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 119.367 0.985 . . . . 0.0 113.563 -171.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -63.56 -54.71 31.86 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 118.906 0.776 . . . . 0.0 112.71 172.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -72.61 -56.2 5.7 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 119.36 -0.352 . . . . 0.0 110.198 -175.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -27.46 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 119.01 0.823 . . . . 0.0 112.782 179.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.9 -46.73 13.01 Favored Glycine 0 CA--C 1.527 0.823 0 CA-C-N 119.048 0.84 . . . . 0.0 112.256 175.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.99 -41.18 99.96 Favored Glycine 0 N--CA 1.468 0.804 0 CA-C-N 118.337 1.069 . . . . 0.0 112.757 171.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -54.55 -65.89 0.5 Allowed 'General case' 0 C--O 1.214 -0.791 0 C-N-CA 125.112 1.365 . . . . 0.0 109.455 167.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 27' ' ' ALA . . . . . 0.435 ' HA ' HG11 ' D' ' 113' ' ' VAL . . . -54.43 -52.05 63.0 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 121.021 1.737 . . . . 0.0 113.527 -176.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 24.5 tp -70.98 -39.74 72.31 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-O 118.266 -0.874 . . . . 0.0 111.432 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.08 -43.32 99.31 Favored Glycine 0 N--CA 1.468 0.787 0 CA-C-N 119.817 1.189 . . . . 0.0 111.72 171.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -40.84 55.94 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.735 1.614 . . . . 0.0 111.423 177.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' D' ' 106' ' ' LEU . 26.0 tp -49.63 -40.78 40.52 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 123.714 0.806 . . . . 0.0 112.032 176.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.92 -29.73 19.36 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 119.38 -0.343 . . . . 0.0 110.723 -176.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 1.4 m -67.35 -18.1 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.0 2.44 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 119.564 1.074 . . . . 0.0 113.378 168.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.65 39.21 0.6 Allowed Pre-proline 0 CA--C 1.563 1.48 0 C-N-CA 126.263 1.825 . . . . 0.0 114.756 -173.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -83.7 158.34 14.14 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 122.195 1.93 . . . . 0.0 111.738 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 32.9 p90 -48.22 -36.17 13.32 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.038 0.935 . . . . 0.0 113.136 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 2.4 m -49.85 -30.81 10.63 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.799 1.639 . . . . 0.0 114.228 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -58.57 -28.24 65.34 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -30.35 69.94 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.493 0.717 . . . . 0.0 112.519 -177.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -87.47 -4.47 59.0 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 176.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -89.71 8.64 30.65 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.811 0.845 . . . . 0.0 112.888 175.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -53.74 -31.65 49.2 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 120.455 -1.403 . . . . 0.0 113.328 170.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 48.4 p -59.3 -22.77 61.71 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.026 1.331 . . . . 0.0 114.343 175.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -79.54 -11.27 59.89 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.939 1.295 . . . . 0.0 112.999 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.71 -173.56 12.61 Favored Glycine 0 CA--C 1.537 1.436 0 CA-C-N 119.337 0.971 . . . . 0.0 113.557 -171.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 45.58 -124.34 1.18 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.493 1.117 . . . . 0.0 110.96 -170.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 tt 64.65 -21.94 0.08 Allowed 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 127.567 2.347 . . . . 0.0 116.091 173.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -50.62 -29.8 11.84 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.643 2.377 . . . . 0.0 113.686 173.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 10.9 p -127.68 155.02 77.79 Favored Pre-proline 0 N--CA 1.473 0.706 0 C-N-CA 124.384 1.074 . . . . 0.0 109.456 161.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -70.4 -33.0 14.94 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 121.065 1.177 . . . . 0.0 113.391 177.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -58.89 -38.93 79.99 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.061 0.846 . . . . 0.0 110.502 172.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.93 92.45 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 118.375 -0.821 . . . . 0.0 112.246 171.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.13 -34.29 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 CA-C-N 121.085 1.766 . . . . 0.0 113.4 177.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 2.0 ttm -74.3 -34.81 63.61 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.778 0.831 . . . . 0.0 113.171 176.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.48 -31.54 36.94 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.721 0.677 . . . . 0.0 114.246 176.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -49.77 116.45 6.17 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 126.048 1.739 . . . . 0.0 113.506 -171.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -62.56 -26.82 76.18 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.727 2.285 . . . . 0.0 113.292 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -65.87 -43.24 88.93 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.498 1.045 . . . . 0.0 112.117 174.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 26.3 t -69.9 -35.38 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 O-C-N 121.473 -0.767 . . . . 0.0 111.286 174.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -63.08 -51.85 65.02 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.836 1.198 . . . . 0.0 112.277 171.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.23 -46.82 87.45 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.361 1.064 . . . . 0.0 112.677 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -68.02 -35.26 77.99 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.097 -1.002 . . . . 0.0 112.466 175.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.98 -46.2 84.93 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 125.047 1.308 . . . . 0.0 112.702 169.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -56.79 -42.35 79.31 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 118.289 1.044 . . . . 0.0 111.905 169.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -65.89 -49.65 67.29 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 4.6 m -62.69 -39.73 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 120.033 1.288 . . . . 0.0 111.707 175.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 tt -71.21 -36.73 71.98 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 120.845 -1.16 . . . . 0.0 112.162 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.77 -35.69 75.82 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.674 1.131 . . . . 0.0 113.055 168.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.46 -45.57 75.59 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.264 -1.139 . . . . 0.0 112.426 168.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -58.02 -37.64 74.69 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 120.434 -1.416 . . . . 0.0 112.885 172.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 37.6 p -73.29 -36.85 66.37 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.55 1.068 . . . . 0.0 113.424 176.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -55.54 -35.51 65.77 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 119.324 0.966 . . . . 0.0 111.3 165.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.93 -63.85 4.93 Favored Glycine 0 C--N 1.339 0.697 0 C-N-CA 123.846 0.736 . . . . 0.0 111.349 167.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 mt -53.73 -21.63 7.56 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 177.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.05 -21.09 22.5 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.689 1.596 . . . . 0.0 114.859 175.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -139.59 41.86 2.02 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.439 1.496 . . . . 0.0 113.264 -171.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.88 -11.71 30.1 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.084 1.512 . . . . 0.0 115.084 177.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.43 -4.95 42.46 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.011 0.924 . . . . 0.0 113.335 170.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.45 -63.4 1.39 Allowed 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -171.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 50.91 -13.38 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 118.343 2.72 . . . . 0.0 118.343 -171.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -119.75 -57.53 1.96 Allowed 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.702 1.592 . . . . 0.0 111.105 -178.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.25 -39.37 94.51 Favored Glycine 0 CA--C 1.537 1.435 0 CA-C-N 118.876 0.762 . . . . 0.0 114.067 176.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 3.1 t -71.69 -18.98 62.13 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -121.55 5.69 10.08 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -175.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.98 -39.72 69.3 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 120.648 1.567 . . . . 0.0 113.479 -173.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 17.1 p -63.68 -44.1 94.74 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.931 1.292 . . . . 0.0 112.75 173.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 20.9 mt -68.49 -39.34 81.36 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.539 -0.726 . . . . 0.0 111.829 175.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -63.46 -38.48 91.3 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.244 1.018 . . . . 0.0 111.637 175.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -64.88 -49.78 69.14 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.196 -0.94 . . . . 0.0 112.107 170.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 12.5 tp -50.72 -54.69 21.17 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.14 0.976 . . . . 0.0 111.285 173.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -74.56 10.74 1.22 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.012 1.325 . . . . 0.0 114.239 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 41.9 t -130.47 -58.35 1.05 Allowed 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.934 -1.104 . . . . 0.0 111.704 174.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.65 -40.18 69.86 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.141 0.976 . . . . 0.0 112.893 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.71 -41.51 16.18 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.326 0.65 . . . . 0.0 112.447 178.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.99 82.24 1.44 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.596 1.558 . . . . 0.0 111.521 -176.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -66.22 28.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 126.997 2.119 . . . . 0.0 115.091 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 75.2 t -51.55 145.46 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 127.872 2.469 . . . . 0.0 112.392 -173.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -57.01 131.98 80.05 Favored Pre-proline 0 CA--C 1.553 1.06 0 O-C-N 121.555 -0.716 . . . . 0.0 112.877 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -49.44 -30.29 20.39 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 124.076 3.184 . . . . 0.0 115.49 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -42.72 -46.49 5.13 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.395 1.478 . . . . 0.0 113.897 170.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -64.97 -31.83 73.26 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.232 -0.918 . . . . 0.0 112.752 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -67.2 -45.72 76.06 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.961 0.904 . . . . 0.0 109.96 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 24.8 mtt85 -62.97 -38.54 91.52 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 122.04 -0.412 . . . . 0.0 111.635 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.33 -48.5 81.5 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.099 0.96 . . . . 0.0 112.708 172.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' D' ' 31' ' ' LEU . 1.4 tt -56.98 -42.5 80.34 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.876 0.762 . . . . 0.0 110.832 174.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -55.3 -63.52 5.21 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 124.348 0.975 . . . . 0.0 114.182 172.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -44.9 -49.27 11.08 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.108 1.763 . . . . 0.0 110.762 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 37.2 t -59.64 -52.55 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 123.653 0.781 . . . . 0.0 112.221 176.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 58.3 tp -56.37 -51.6 67.7 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 119.654 1.115 . . . . 0.0 110.938 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 111' ' ' VAL . . . . . 0.423 HG12 ' HB3' ' D' ' 130' ' ' TYR . 1.4 m -62.84 -31.52 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.796 -179.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 22.4 t -66.24 -42.68 88.28 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.289 0.495 . . . . 0.0 111.73 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 113' ' ' VAL . . . . . 0.435 HG11 ' HA ' ' D' ' 27' ' ' ALA 0.261 1.7 m -69.1 -37.39 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 120.679 -1.263 . . . . 0.0 112.472 -178.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.79 -36.43 83.87 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.693 -0.629 . . . . 0.0 110.89 172.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.6 -29.96 69.53 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 171.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 116' ' ' HIS . . . . . 0.461 ' CG ' ' CE2' ' C' ' 117' ' ' PHE . 0.8 OUTLIER -77.85 -50.01 13.12 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.579 1.081 . . . . 0.0 112.302 172.764 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.91 -19.14 61.97 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -167.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -129.08 41.26 3.5 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.157 1.783 . . . . 0.0 110.005 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -54.47 -23.02 25.84 Favored Glycine 0 N--CA 1.475 1.271 0 C-N-CA 126.063 1.792 . . . . 0.0 116.088 -177.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -79.75 -8.54 59.31 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 118.879 1.339 . . . . 0.0 113.794 173.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -128.83 3.93 5.41 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 127.364 2.266 . . . . 0.0 112.541 -173.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.85 26.79 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 127.161 2.184 . . . . 0.0 116.108 -171.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 29.1 p -46.3 144.48 3.18 Favored Pre-proline 0 N--CA 1.48 1.054 0 O-C-N 120.675 -1.266 . . . . 0.0 113.571 -165.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -40.42 -46.0 4.4 Favored 'Trans proline' 0 CA--C 1.548 1.182 0 C-N-CA 123.335 2.69 . . . . 0.0 116.121 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.83 -26.99 26.66 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 121.684 1.589 . . . . 0.0 115.074 173.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -44.78 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 121.9 2.136 . . . . 0.0 111.765 174.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -73.91 -28.28 61.45 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 118.289 -0.862 . . . . 0.0 112.48 175.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.38 -48.35 67.68 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 120.855 1.661 . . . . 0.0 111.688 170.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.23 -48.41 81.71 Favored 'General case' 0 CA--C 1.527 0.074 0 C-N-CA 124.894 1.278 . . . . 0.0 111.483 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 130' ' ' TYR . . . . . 0.497 ' CE2' HG23 ' D' ' 11' ' ' VAL . 1.0 OUTLIER -54.67 -51.37 65.7 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 118.498 -0.763 . . . . 0.0 111.514 170.694 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.19 -36.1 74.74 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.856 1.207 . . . . 0.0 113.026 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -66.83 -44.0 82.25 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.714 1.143 . . . . 0.0 112.881 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.77 -39.83 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.024 -1.047 . . . . 0.0 112.413 172.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 20.0 t -60.83 -42.27 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.636 1.174 . . . . 0.0 111.972 176.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.0 96.75 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.686 1.194 . . . . 0.0 111.951 174.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -54.59 -49.8 59.73 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.747 -0.474 . . . . 0.0 112.135 169.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 3.7 t -58.33 -47.93 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 117.895 0.848 . . . . 0.0 112.159 172.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -56.96 -47.53 80.51 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 120.213 1.369 . . . . 0.0 111.836 178.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -66.48 -36.06 81.82 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.749 -0.595 . . . . 0.0 112.308 176.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.28 -48.57 79.3 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.074 -1.016 . . . . 0.0 112.578 173.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 8.9 mt -68.2 -27.79 66.69 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.182 -0.949 . . . . 0.0 111.782 177.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 142' ' ' ALA . . . . . 0.488 ' HA ' ' CE1' ' D' ' 145' ' ' TYR . . . -77.69 -6.79 55.12 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 168.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -62.66 -42.17 99.46 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 119.815 -1.803 . . . . 0.0 113.111 -167.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -9.51 3.83 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.447 1.499 . . . . 0.0 114.923 176.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 145' ' ' TYR . . . . . 0.488 ' CE1' ' HA ' ' D' ' 142' ' ' ALA . 1.7 m-30 -70.99 -27.05 63.42 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 119.388 0.995 . . . . 0.0 111.623 -177.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 60.5 m80 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 126.131 1.772 . . . . 0.0 112.788 177.908 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.496 HMA1 ' HB2' ' A' ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 201' ' ' HEC . . . . . 0.449 ' HHC' HBB3 ' B' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 201' ' ' HEC . . . . . 0.516 HMA1 ' HB2' ' C' ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 201' ' ' HEC . . . . . 0.453 ' HHC' HBB3 ' D' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.27 3.1 p . . . . . 0 N--CA 1.511 2.613 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 58.4 mt -141.98 165.9 26.18 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 120.683 1.583 . . . . 0.0 113.238 -172.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.21 165.66 25.3 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 126.891 2.076 . . . . 0.0 113.2 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -78.57 -49.75 0.08 OUTLIER 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.368 2.712 . . . . 0.0 114.245 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.78 -29.08 70.43 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.344 -0.847 . . . . 0.0 112.501 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -48.01 -61.36 2.01 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.914 1.286 . . . . 0.0 112.184 165.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -54.66 -47.07 74.03 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.746 0.818 . . . . 0.0 110.678 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.7 m -55.04 -49.28 71.98 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 118.95 0.796 . . . . 0.0 112.609 178.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.618 HD21 ' HB1' ' A' ' 120' ' ' ALA . 81.6 m-20 -66.32 -37.66 85.88 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.068 0.849 . . . . 0.0 112.932 176.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.5 t -63.34 -48.42 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-O 118.732 -0.652 . . . . 0.0 110.925 174.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -58.21 -44.34 88.11 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.521 1.055 . . . . 0.0 111.354 174.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.9 -53.31 59.88 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.31 0.644 . . . . 0.0 111.671 176.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.17 -52.49 65.12 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.34 0.656 . . . . 0.0 111.57 176.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -62.27 -27.21 68.86 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.36 -41.95 97.91 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.625 1.107 . . . . 0.0 113.45 170.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -71.07 -35.93 72.09 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 118.538 1.169 . . . . 0.0 111.172 173.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.04 -43.02 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.445 1.098 . . . . 0.0 111.808 174.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.83 -142.65 7.16 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.51 1.052 . . . . 0.0 114.529 175.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.73 -21.84 63.38 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.313 -1.11 . . . . 0.0 113.951 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -66.35 -10.71 45.89 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.241 1.017 . . . . 0.0 113.372 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -44.95 -48.07 11.36 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.917 1.287 . . . . 0.0 113.531 177.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.53 -35.91 91.84 Favored Glycine 0 C--N 1.34 0.767 0 O-C-N 121.903 -0.498 . . . . 0.0 113.776 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.39 -46.66 82.35 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.453 1.101 . . . . 0.0 110.047 175.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -63.96 -36.2 83.18 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.855 0.862 . . . . 0.0 111.891 176.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.95 -46.39 81.89 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-N 118.783 0.72 . . . . 0.0 112.838 171.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.71 92.71 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.228 1.014 . . . . 0.0 111.605 177.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.04 -41.39 98.06 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 123.634 0.774 . . . . 0.0 111.728 173.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.09 93.66 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.5 1.045 . . . . 0.0 112.603 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.2 mt -66.47 -50.79 62.14 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.601 1.16 . . . . 0.0 112.111 174.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -57.39 -45.52 84.42 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.442 -0.787 . . . . 0.0 111.822 177.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -47.62 79.04 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.272 1.829 . . . . 0.0 112.156 171.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.9 ttp -57.77 -49.61 76.03 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.765 174.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -61.32 -40.19 93.31 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.601 0.964 . . . . 0.0 113.601 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -83.89 -29.97 26.76 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.9 m -68.58 -43.96 75.4 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 119.804 1.184 . . . . 0.0 112.396 170.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -127.61 81.24 70.56 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 125.906 1.683 . . . . 0.0 109.802 -174.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.11 -27.49 17.18 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.984 3.123 . . . . 0.0 115.052 175.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 p -51.8 -35.98 46.05 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.724 1.21 . . . . 0.0 113.161 170.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.2 p -64.01 -28.11 69.58 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 174.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -63.12 -37.29 86.64 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.665 1.12 . . . . 0.0 112.535 177.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -32.4 73.93 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 121.189 -0.944 . . . . 0.0 113.063 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -62.8 -26.38 68.7 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -156.64 110.94 2.0 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 123.601 0.76 . . . . 0.0 109.921 161.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.89 -133.66 0.01 OUTLIER 'Trans proline' 0 CA--C 1.547 1.145 0 C-N-CA 123.876 3.051 . . . . 0.0 109.567 171.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 p80 58.13 -11.77 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 127.651 2.38 . . . . 0.0 116.823 -174.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -72.36 114.97 11.05 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.491 1.917 . . . . 0.0 112.45 176.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -80.61 69.83 7.2 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.355 1.462 . . . . 0.0 111.202 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.8 mt -69.71 31.86 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 125.874 1.67 . . . . 0.0 114.789 -175.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.4 m -72.71 7.76 1.79 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 127.334 2.254 . . . . 0.0 114.966 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.4 m170 75.89 124.09 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 129.032 2.933 . . . . 0.0 112.641 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.97 1.96 59.58 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 124.908 1.242 . . . . 0.0 114.997 -175.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -53.9 116.93 2.81 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.705 2.002 . . . . 0.0 114.838 -171.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.65 -37.11 72.81 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.518 1.127 . . . . 0.0 113.451 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -68.2 -31.51 71.08 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 176.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.6 t -72.92 -48.5 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 119.87 1.214 . . . . 0.0 110.837 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -60.11 -42.08 93.96 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.357 0.526 . . . . 0.0 111.638 173.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.38 -48.76 79.96 Favored Glycine 0 N--CA 1.47 0.911 0 C-N-CA 124.127 0.87 . . . . 0.0 113.06 175.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -58.65 -42.94 89.53 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.923 1.361 . . . . 0.0 111.789 173.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.9 -50.68 49.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 121.45 -0.781 . . . . 0.0 113.589 170.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -55.11 -44.99 75.45 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.311 1.044 . . . . 0.0 112.215 172.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -63.46 -50.65 68.89 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.988 0.915 . . . . 0.0 112.502 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 80.4 t -54.57 -47.45 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-N 118.98 0.809 . . . . 0.0 110.785 174.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.477 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -62.89 -41.26 99.36 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.81 -38.69 91.72 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 118.941 0.792 . . . . 0.0 111.422 175.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.498 ' HB1' HD11 ' A' ' 83' ' ' LEU . . . -66.13 -30.3 70.76 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 169.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.47 -43.43 94.23 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.863 1.21 . . . . 0.0 110.904 167.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.0 m -58.88 -46.28 88.2 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.36 1.436 . . . . 0.0 112.686 170.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -30.52 69.8 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.034 -1.041 . . . . 0.0 112.973 179.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.61 -56.97 14.1 Favored 'General case' 0 C--O 1.22 -0.456 0 C-N-CA 124.241 1.016 . . . . 0.0 110.554 163.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.5 t -53.05 -41.56 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-N 119.584 1.084 . . . . 0.0 112.845 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.5 -23.87 67.58 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -138.35 29.77 2.43 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.406 1.482 . . . . 0.0 111.827 -172.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.1 p -62.67 -30.22 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -162.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -78.08 -15.09 59.2 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 173.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.3 17.46 10.64 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 127.946 2.499 . . . . 0.0 111.178 -173.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.3 ttp -55.96 -29.42 5.72 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 126.403 1.881 . . . . 0.0 115.899 -170.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -50.25 23.53 0.02 OUTLIER 'Trans proline' 0 CA--C 1.551 1.354 1 C-N-CA 126.638 4.892 . . . . 0.0 119.123 161.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -150.2 -35.98 0.16 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.759 2.024 . . . . 0.0 111.066 169.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.89 -33.91 65.04 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 176.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 mt -96.81 7.51 46.44 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -175.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -55.39 -38.47 68.91 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 120.705 1.593 . . . . 0.0 114.67 -175.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.95 73.52 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.949 -1.094 . . . . 0.0 112.634 172.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.498 HD11 ' HB1' ' A' ' 65' ' ' ALA . 2.3 mt -79.64 -31.04 41.48 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.577 1.151 . . . . 0.0 111.216 179.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.0 t -54.8 -49.52 70.77 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 117.731 -1.128 . . . . 0.0 110.813 162.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -57.26 -36.67 71.27 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 120.396 1.453 . . . . 0.0 113.553 176.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -56.83 -62.01 2.04 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.984 0.811 . . . . 0.0 111.024 170.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.63 -25.65 66.69 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.012 -1.055 . . . . 0.0 113.77 -178.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.3 -33.37 16.13 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.896 1.225 . . . . 0.0 113.521 -173.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -135.06 2.71 3.1 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -169.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -135.98 -17.97 1.61 Allowed 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.8 mt -141.34 -46.66 0.38 Allowed 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 116.493 2.034 . . . . 0.0 116.493 -172.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 46.68 32.64 1.78 Allowed 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 126.418 1.887 . . . . 0.0 115.596 -176.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.36 142.05 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.319 1.047 . . . . 0.0 111.955 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -58.56 131.65 85.44 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 124.999 1.32 . . . . 0.0 111.801 172.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -45.16 -19.91 0.39 Allowed 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 124.698 3.599 . . . . 0.0 116.84 173.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.2 p -47.93 -40.61 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 O-C-N 120.172 -1.58 . . . . 0.0 113.361 170.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.492 ' HB3' HMC1 ' A' ' 201' ' ' HEC . 3.0 m120 -63.38 -33.93 76.62 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.117 -0.99 . . . . 0.0 112.378 174.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -57.96 -49.62 76.19 Favored 'General case' 0 C--N 1.344 0.328 0 CA-C-N 119.501 1.046 . . . . 0.0 109.326 173.341 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -57.79 -40.33 79.62 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.982 0.896 . . . . 0.0 111.109 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.24 -51.11 62.94 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.764 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.2 tp -57.72 -47.92 81.04 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.649 -0.657 . . . . 0.0 112.708 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.3 p -63.57 -43.39 97.14 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.303 0.956 . . . . 0.0 111.683 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -58.46 -52.12 66.95 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 122.692 0.397 . . . . 0.0 110.621 172.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 92.7 m -60.28 -32.68 71.41 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.4 mt -68.34 -48.31 65.2 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 124.258 1.023 . . . . 0.0 111.863 173.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 18.0 mt -54.69 -40.53 69.25 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.426 -0.796 . . . . 0.0 110.652 173.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.6 -45.77 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 124.033 0.933 . . . . 0.0 112.826 174.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.6 p -67.58 -32.12 72.65 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.276 1.398 . . . . 0.0 112.333 177.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.71 -45.22 90.97 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.155 0.889 . . . . 0.0 111.059 169.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.07 -32.81 64.45 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.26 -12.42 61.58 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 177.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -128.48 -16.89 4.27 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -173.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.1 mp -114.4 124.63 30.38 Favored Pre-proline 0 CA--C 1.557 1.223 0 C-N-CA 124.907 1.283 . . . . 0.0 109.099 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -40.2 -61.03 0.49 Allowed 'Trans proline' 0 C--N 1.357 1.003 1 C-N-CA 125.689 4.259 . . . . 0.0 118.0 -159.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -132.63 40.8 3.24 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 125.275 1.43 . . . . 0.0 108.86 176.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -21.29 6.13 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 -164.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.401 ' HA ' ' HB2' ' A' ' 122' ' ' HIS . 13.0 p90 -62.97 7.99 0.07 Allowed 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 165.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.9 149.84 5.91 Favored Pre-proline 0 N--CA 1.477 0.923 0 CA-C-N 120.777 1.626 . . . . 0.0 111.398 -178.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -48.98 -39.87 40.49 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.513 2.142 . . . . 0.0 114.83 173.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.618 ' HB1' HD21 ' A' ' 9' ' ' ASN . . . -72.12 -60.14 2.38 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 174.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.94 -38.05 81.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 120.877 -1.14 . . . . 0.0 112.695 -169.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.5 ' CE1' HG22 ' B' ' 34' ' ' VAL . 20.7 t-160 -78.34 -43.67 27.16 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 125.349 1.46 . . . . 0.0 113.628 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.23 -48.4 76.55 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-N 119.876 1.216 . . . . 0.0 109.499 172.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.7 m -53.59 -63.29 1.2 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.709 0.804 . . . . 0.0 112.042 173.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 37.3 mt -61.22 -40.81 95.38 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 120.473 -1.392 . . . . 0.0 113.956 -175.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.04 -48.94 74.3 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.264 1.393 . . . . 0.0 111.678 177.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -28.44 65.83 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 118.727 0.694 . . . . 0.0 112.747 178.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -67.92 -45.53 74.09 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.504 1.047 . . . . 0.0 111.446 169.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.27 -31.08 69.89 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.335 -1.478 . . . . 0.0 111.417 170.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.87 65.85 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 172.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 79.0 p -78.57 -42.28 29.6 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.397 -1.439 . . . . 0.0 111.658 170.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 73.0 t -50.43 -54.46 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.615 1.166 . . . . 0.0 109.582 169.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 87.0 p -63.63 -46.75 84.27 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.9 m -48.44 -51.66 25.82 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 118.848 0.749 . . . . 0.0 110.566 173.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 91.4 t -67.35 -43.27 87.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 118.391 0.542 . . . . 0.0 111.367 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -32.05 65.3 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.2 0.909 . . . . 0.0 113.049 175.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 98.8 m -93.85 -7.9 41.92 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.227 2.211 . . . . 0.0 112.929 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.6 t -142.25 77.96 1.6 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.195 1.398 . . . . 0.0 111.551 -171.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -136.93 23.75 3.06 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.866 1.266 . . . . 0.0 113.392 -177.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -72.27 133.58 45.12 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.381 -0.824 . . . . 0.0 110.259 173.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 . . . . . 0 C--O 1.254 1.292 0 C-N-CA 126.099 1.76 . . . . 0.0 111.529 173.793 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . 0.457 HG13 ' H ' ' B' ' 2' ' ' HIS 0.312 5.2 p . . . . . 0 N--CA 1.516 2.856 0 CA-C-O 116.995 -1.478 . . . . 0.0 112.919 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . 0.457 ' H ' HG13 ' B' ' 1' ' ' VAL . 44.4 m80 20.2 70.84 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 128.213 2.605 . . . . 0.0 115.266 -177.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.38 156.84 12.09 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.036 0.534 . . . . 0.0 111.286 -177.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.58 147.29 83.79 Favored Pre-proline 0 N--CA 1.479 1.003 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 162.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -50.77 -38.45 56.78 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 123.099 2.533 . . . . 0.0 114.863 175.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -73.84 -36.04 64.87 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.875 0.761 . . . . 0.0 111.875 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.32 -41.05 81.39 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.502 -0.749 . . . . 0.0 111.393 171.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -54.9 -50.89 67.64 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.894 0.877 . . . . 0.0 110.736 170.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 45.4 m -55.61 -43.12 75.8 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.449 1.022 . . . . 0.0 112.137 174.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.11 -48.43 80.22 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 177.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.6 p -69.06 -55.45 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 CA-C-N 119.459 1.027 . . . . 0.0 112.461 174.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -68.45 -34.77 76.55 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.696 -1.252 . . . . 0.0 112.678 -169.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.25 -37.6 85.88 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.683 1.129 . . . . 0.0 112.207 174.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 tt -67.92 -35.39 78.37 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.456 -0.777 . . . . 0.0 111.106 172.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . 0.4 ' CZ2' ' CD1' ' B' ' 71' ' ' PHE . 0.0 OUTLIER -61.49 -32.02 72.02 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 167.753 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.55 -37.38 93.25 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.303 0.954 . . . . 0.0 114.012 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -90.4 -16.94 28.13 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 176.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.68 135.44 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 123.838 0.855 . . . . 0.0 112.603 -167.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -87.08 87.91 7.57 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.806 0.842 . . . . 0.0 109.255 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.513 HG13 HD22 ' B' ' 68' ' ' LEU . 70.3 t -52.78 -38.9 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 CA-C-N 119.574 1.079 . . . . 0.0 113.864 -170.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -45.39 76.32 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.898 0.772 . . . . 0.0 112.789 175.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -79.31 -52.87 7.54 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.834 -0.541 . . . . 0.0 110.762 -175.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.97 -30.93 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 123.73 0.812 . . . . 0.0 111.825 175.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.21 -45.74 18.44 Favored Glycine 0 C--N 1.342 0.865 0 CA-C-N 119.395 0.998 . . . . 0.0 112.067 177.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.55 -45.11 96.93 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 117.926 0.863 . . . . 0.0 112.538 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.15 -29.48 68.38 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 118.083 -0.961 . . . . 0.0 112.08 174.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.525 ' HA ' HG11 ' B' ' 113' ' ' VAL . . . -68.97 -62.28 1.45 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 121.189 1.813 . . . . 0.0 111.693 172.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.4 tp -64.05 -37.37 87.18 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.745 -0.597 . . . . 0.0 110.448 -176.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.685 ' O ' HG13 ' B' ' 33' ' ' VAL . . . -48.78 -62.8 4.27 Favored Glycine 0 CA--C 1.525 0.692 0 CA-C-O 118.239 -1.312 . . . . 0.0 112.012 161.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -50.54 -26.13 4.88 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 120.229 2.015 . . . . 0.0 114.261 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tt -77.73 -51.11 11.08 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 120.507 1.503 . . . . 0.0 111.462 169.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -76.72 -8.9 58.16 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.906 -1.121 . . . . 0.0 113.113 -176.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.685 HG13 ' O ' ' B' ' 29' ' ' GLY . 3.0 m -74.91 -26.44 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 119.842 1.201 . . . . 0.0 114.186 172.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.5 HG22 ' CE1' ' A' ' 122' ' ' HIS . 0.3 OUTLIER -76.12 1.42 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 CA-C-N 119.874 1.215 . . . . 0.0 113.846 -167.041 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.4 42.32 1.24 Allowed Pre-proline 0 CA--C 1.557 1.242 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -162.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -73.88 164.23 35.11 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.49 2.127 . . . . 0.0 111.78 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -54.38 -32.84 57.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.438 1.095 . . . . 0.0 113.422 168.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 16.8 p -57.74 -20.59 35.9 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 120.606 -1.309 . . . . 0.0 113.638 173.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -60.03 -16.63 32.64 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 171.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.28 -41.81 19.62 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 121.461 1.937 . . . . 0.0 112.083 169.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -74.66 3.22 8.21 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 0.405 ' HB2' HD13 ' B' ' 48' ' ' LEU . 6.2 p90 -50.52 -23.16 2.32 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -179.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -50.54 -33.95 23.58 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 171.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.23 6.23 26.88 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 176.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -123.96 23.74 8.48 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.306 1.842 . . . . 0.0 111.206 -174.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.27 -97.2 0.03 OUTLIER Glycine 0 CA--C 1.539 1.569 0 C-N-CA 125.935 1.731 . . . . 0.0 116.052 168.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.79 -94.45 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 125.602 1.561 . . . . 0.0 112.788 -174.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.405 HD13 ' HB2' ' B' ' 42' ' ' PHE . 10.2 tt 58.46 -23.33 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 129.199 2.999 . . . . 0.0 118.023 174.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 59.3 p -53.81 -17.03 2.04 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 127.669 2.388 . . . . 0.0 115.939 -175.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 13.7 p -135.46 159.62 70.93 Favored Pre-proline 0 N--CA 1.472 0.672 0 C-N-CA 125.683 1.593 . . . . 0.0 111.604 166.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -57.61 -50.07 11.68 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.447 2.764 . . . . 0.0 114.451 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.29 -34.62 75.51 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.696 -0.627 . . . . 0.0 112.246 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.15 -51.26 70.37 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.458 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.4 p -58.81 -31.63 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 CA-C-N 121.294 1.861 . . . . 0.0 114.215 -174.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 6.1 ptp -90.6 -18.0 25.93 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 177.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.64 -14.1 55.86 Favored Glycine 0 CA--C 1.541 1.682 0 C-N-CA 124.238 0.923 . . . . 0.0 114.488 170.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -65.26 120.77 70.25 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 127.178 2.191 . . . . 0.0 113.308 -173.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -63.3 -32.53 72.76 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.783 2.322 . . . . 0.0 112.729 -177.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 38.9 tttp -70.55 -38.77 74.21 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.82 0.848 . . . . 0.0 112.309 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 72.6 t -65.9 -41.89 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.63 -0.669 . . . . 0.0 111.04 171.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -65.72 -44.23 86.66 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.472 1.033 . . . . 0.0 111.624 175.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.54 -50.19 73.67 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.673 1.124 . . . . 0.0 113.362 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -64.62 -35.85 82.36 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.002 -1.062 . . . . 0.0 111.629 173.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.57 -48.53 84.01 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 124.426 1.012 . . . . 0.0 112.78 173.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -58.25 -39.03 78.09 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.487 1.115 . . . . 0.0 111.999 171.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -66.82 -53.0 37.19 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.188 0.995 . . . . 0.0 113.374 175.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 4.5 m -60.14 -38.31 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 120.234 1.379 . . . . 0.0 111.61 176.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.513 HD22 HG13 ' B' ' 20' ' ' VAL . 7.0 tt -69.2 -44.97 71.03 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.403 -0.811 . . . . 0.0 111.903 175.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.73 -41.75 75.9 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.825 1.202 . . . . 0.0 112.029 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.29 89.89 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 171.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.4 ' CD1' ' CZ2' ' B' ' 15' ' ' TRP . 7.4 t80 -55.77 -41.58 74.23 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.884 -1.135 . . . . 0.0 112.1 170.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -63.74 -44.08 94.58 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.193 0.997 . . . . 0.0 112.228 176.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -30.31 66.21 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.761 1.224 . . . . 0.0 111.85 170.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.53 -63.2 5.44 Favored Glycine 0 C--N 1.34 0.753 0 C-N-CA 125.002 1.287 . . . . 0.0 110.659 169.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.56 -32.09 62.7 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.814 1.307 . . . . 0.0 113.833 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.84 -28.91 67.95 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 173.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -142.78 45.1 1.59 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.488 1.515 . . . . 0.0 113.183 -169.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.76 -19.66 59.69 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 120.774 -1.204 . . . . 0.0 113.987 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.85 -40.44 21.43 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.607 1.963 . . . . 0.0 114.041 177.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -157.29 134.39 10.29 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.303 1.041 . . . . 0.0 111.22 169.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 48.1 mt -104.15 -43.4 5.26 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.35 0.66 . . . . 0.0 112.142 -173.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -57.61 -24.84 58.56 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 125.541 1.536 . . . . 0.0 113.929 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.94 4.04 58.91 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 126.235 1.874 . . . . 0.0 115.429 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.23 -19.84 5.43 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.098 1.449 . . . . 0.0 113.529 173.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -106.83 13.3 28.0 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.681 1.193 . . . . 0.0 113.875 174.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.41 -40.14 64.88 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.93 1.241 . . . . 0.0 113.753 -177.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 6.2 p -64.42 -42.45 96.03 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.443 1.097 . . . . 0.0 112.664 173.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 15.4 mt -70.07 -32.79 71.05 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.702 -0.623 . . . . 0.0 112.026 175.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 7.3 t -62.93 -46.65 86.76 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.035 0.934 . . . . 0.0 111.31 172.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -62.71 -37.95 88.51 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.245 -0.91 . . . . 0.0 112.728 171.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.54 -56.66 17.6 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.557 -1.339 . . . . 0.0 111.953 174.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -73.96 -21.96 59.81 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -174.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 37.9 t -97.41 -53.3 3.5 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 174.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -85.83 -38.57 17.99 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.62 1.555 . . . . 0.0 113.264 -171.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -85.5 -28.65 24.84 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 77.1 mt -119.44 -39.59 2.87 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -174.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 50.89 18.09 0.48 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 127.646 2.378 . . . . 0.0 116.316 -178.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 1.3 m -52.02 140.96 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.015 1.726 . . . . 0.0 112.672 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.07 136.27 96.61 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-O 119.13 -0.462 . . . . 0.0 112.22 -175.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -48.78 -35.27 30.18 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.12 3.214 . . . . 0.0 116.599 -175.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -50.25 -30.39 11.6 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.32 -1.488 . . . . 0.0 113.274 173.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -62.76 -37.79 88.0 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.328 1.051 . . . . 0.0 111.597 176.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . 0.473 ' CD1' ' HB1' ' B' ' 138' ' ' ALA . 0.4 OUTLIER -61.59 -46.26 90.6 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.625 1.102 . . . . 0.0 110.513 172.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . 0.407 ' N ' ' CD1' ' B' ' 103' ' ' PHE . 8.3 tpm_? -64.65 -36.9 85.75 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.922 0.889 . . . . 0.0 110.166 -173.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -47.6 85.64 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.175 0.99 . . . . 0.0 111.911 170.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -38.24 85.4 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.431 1.014 . . . . 0.0 111.403 176.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . 0.415 ' O ' HG13 ' B' ' 111' ' ' VAL . . . -64.05 -54.42 30.5 Favored Glycine 0 N--CA 1.466 0.69 0 O-C-N 121.51 -0.744 . . . . 0.0 113.236 174.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -58.11 -32.02 67.7 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 118.04 0.92 . . . . 0.0 111.536 177.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 6.7 t -63.67 -57.02 13.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 120.869 -1.144 . . . . 0.0 112.052 167.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 48.4 tp -56.35 -45.49 80.4 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 119.362 0.983 . . . . 0.0 111.796 -176.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.676 HG12 ' HB3' ' B' ' 130' ' ' TYR . 2.6 m -61.7 -26.7 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 121.452 -0.78 . . . . 0.0 112.389 178.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 20.3 t -94.21 -35.11 12.63 Favored 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -172.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . 0.525 HG11 ' HA ' ' B' ' 27' ' ' ALA . 0.2 OUTLIER -55.84 -38.57 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-N 120.106 1.321 . . . . 0.0 110.183 167.339 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 35.7 mt -64.0 -43.54 95.37 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.129 0.422 . . . . 0.0 111.357 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.02 -21.92 65.29 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 170.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.98 -60.01 2.51 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.128 0.876 . . . . 0.0 111.103 167.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -66.82 -26.0 66.72 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.606 0.639 . . . . 0.0 112.418 -170.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -129.99 39.38 3.69 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.857 1.663 . . . . 0.0 110.282 -175.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -49.05 -40.32 27.92 Favored Glycine 0 N--CA 1.474 1.192 0 C-N-CA 125.171 1.367 . . . . 0.0 114.629 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -9.6 5.49 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 171.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -134.82 11.09 3.66 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.163 1.785 . . . . 0.0 113.078 -176.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.16 27.14 0.06 Allowed 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -168.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 18.9 p -43.46 144.73 1.22 Allowed Pre-proline 0 N--CA 1.485 1.298 0 CA-C-N 120.23 1.377 . . . . 0.0 114.375 -159.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -41.64 -47.38 6.06 Favored 'Trans proline' 0 CA--C 1.546 1.108 0 C-N-CA 122.951 2.434 . . . . 0.0 115.444 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.58 -23.75 31.28 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 121.911 1.741 . . . . 0.0 115.229 173.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.44 -47.96 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 121.135 1.789 . . . . 0.0 110.413 173.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -64.26 -43.75 93.89 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.247 -0.908 . . . . 0.0 111.524 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.79 -32.6 69.47 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.386 0.675 . . . . 0.0 112.562 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.67 -52.18 22.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.429 0.691 . . . . 0.0 110.419 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.676 ' HB3' HG12 ' B' ' 111' ' ' VAL . 45.6 m-85 -53.67 -46.87 70.76 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.517 0.599 . . . . 0.0 112.052 172.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -59.81 -39.25 84.37 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 117.912 -1.042 . . . . 0.0 112.971 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.34 -39.85 89.46 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 120.283 1.401 . . . . 0.0 113.377 172.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 17.5 t -65.88 -47.31 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 CA-C-N 119.754 1.161 . . . . 0.0 111.084 174.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.64 -40.84 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.223 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.76 -44.66 86.31 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.997 1.271 . . . . 0.0 111.22 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -60.08 -54.56 36.39 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 121.784 -0.573 . . . . 0.0 112.993 171.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -44.46 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 118.353 1.076 . . . . 0.0 110.465 -177.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . 0.473 ' HB1' ' CD1' ' B' ' 103' ' ' PHE . . . -65.04 -41.74 94.96 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.579 1.152 . . . . 0.0 113.315 176.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -64.55 -19.55 65.69 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.416 1.007 . . . . 0.0 112.404 172.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.35 24.26 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.095 -1.003 . . . . 0.0 111.897 165.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.38 -27.65 69.23 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.551 -1.343 . . . . 0.0 112.799 174.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -75.11 -15.58 60.59 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.611 1.964 . . . . 0.0 113.922 172.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -52.87 -44.76 67.07 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.943 1.701 . . . . 0.0 114.286 -173.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -68.94 -15.0 63.37 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 173.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -102.35 -19.35 15.02 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 126.595 1.958 . . . . 0.0 113.281 178.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . 0.283 0.2 OUTLIER . . . . . 0 C--O 1.257 1.497 0 C-N-CA 128.787 2.835 . . . . 0.0 114.973 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.272 3.0 p . . . . . 0 N--CA 1.513 2.698 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 58.6 mt -141.96 165.98 25.97 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 120.645 1.566 . . . . 0.0 113.282 -172.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.35 165.79 24.37 Favored Pre-proline 0 N--CA 1.479 0.983 0 C-N-CA 126.826 2.051 . . . . 0.0 113.15 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -78.76 -49.74 0.08 OUTLIER 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 123.362 2.708 . . . . 0.0 114.138 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.72 -29.19 70.48 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 121.367 -0.833 . . . . 0.0 112.408 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -47.93 -61.43 1.96 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.856 1.262 . . . . 0.0 112.2 165.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -54.51 -47.25 73.3 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.82 0.848 . . . . 0.0 110.599 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 56.5 m -54.99 -49.23 72.01 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 118.819 0.736 . . . . 0.0 112.6 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . 0.609 HD21 ' HB1' ' C' ' 120' ' ' ALA . 81.7 m-20 -66.44 -37.43 85.14 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.997 0.817 . . . . 0.0 112.993 176.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 84.9 t -63.5 -48.34 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 118.753 -0.641 . . . . 0.0 110.922 174.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -58.32 -44.27 88.55 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.496 1.044 . . . . 0.0 111.284 174.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.88 -53.36 59.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.376 0.671 . . . . 0.0 111.661 176.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.2 -52.42 65.38 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.225 0.61 . . . . 0.0 111.598 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -62.21 -27.34 68.91 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.25 -42.03 98.03 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.613 1.101 . . . . 0.0 113.42 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -70.98 -36.01 72.33 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 118.592 1.196 . . . . 0.0 111.195 173.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.97 -43.0 91.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.436 1.094 . . . . 0.0 111.856 174.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.78 -142.6 7.12 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.501 1.048 . . . . 0.0 114.568 175.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.72 -21.82 63.34 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -66.26 -10.91 46.78 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.344 1.058 . . . . 0.0 113.394 177.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.481 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -44.8 -48.22 10.94 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.88 1.272 . . . . 0.0 113.589 177.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.27 -36.12 92.39 Favored Glycine 0 N--CA 1.467 0.748 0 O-C-N 121.893 -0.505 . . . . 0.0 113.859 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -64.38 -46.51 83.0 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.395 1.078 . . . . 0.0 110.11 175.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -64.04 -36.2 83.23 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.75 0.82 . . . . 0.0 111.972 176.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.88 -46.36 82.66 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-N 118.67 0.668 . . . . 0.0 112.862 171.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.75 92.54 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.194 0.997 . . . . 0.0 111.602 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.97 -41.39 97.96 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 123.592 0.757 . . . . 0.0 111.86 173.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.18 -39.02 93.45 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.347 0.976 . . . . 0.0 112.671 176.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 45.5 mt -66.46 -50.83 62.01 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.632 1.173 . . . . 0.0 112.079 173.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -57.33 -45.59 84.12 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.363 -0.836 . . . . 0.0 111.786 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -47.47 79.95 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.18 1.792 . . . . 0.0 112.088 172.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 62.9 ttp -57.76 -49.64 75.92 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 118.69 0.677 . . . . 0.0 111.772 174.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -61.31 -40.25 93.5 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 pp -84.0 -29.63 26.81 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 66.2 m -68.65 -44.1 74.84 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.79 1.177 . . . . 0.0 112.316 170.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -127.58 81.28 70.46 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 125.89 1.676 . . . . 0.0 109.72 -174.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -50.1 -27.36 16.84 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.815 3.01 . . . . 0.0 115.193 175.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 2.2 p -51.92 -35.84 46.95 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.78 1.232 . . . . 0.0 113.122 170.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 69.7 p -64.33 -27.82 69.29 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -63.18 -37.26 86.54 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.619 1.099 . . . . 0.0 112.527 177.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.19 -32.27 73.79 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 121.179 -0.951 . . . . 0.0 113.016 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -62.81 -26.35 68.7 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -176.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -156.78 110.85 1.97 Allowed Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 123.446 0.699 . . . . 0.0 109.813 161.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -74.81 -133.77 0.01 OUTLIER 'Trans proline' 0 CA--C 1.549 1.253 0 C-N-CA 123.817 3.012 . . . . 0.0 109.552 171.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 p80 58.32 -11.85 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 127.579 2.352 . . . . 0.0 116.709 -174.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -72.29 114.95 10.95 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.523 1.929 . . . . 0.0 112.418 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -80.67 69.87 7.29 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.326 1.45 . . . . 0.0 111.148 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 36.8 mt -69.54 31.82 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.872 1.669 . . . . 0.0 114.836 -175.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 33.9 m -72.89 7.96 1.77 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 127.283 2.233 . . . . 0.0 114.962 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 12.5 m170 75.61 124.3 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 129.106 2.963 . . . . 0.0 112.657 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.92 2.04 59.64 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 124.909 1.243 . . . . 0.0 114.986 -175.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -53.98 117.01 2.87 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.835 2.054 . . . . 0.0 114.681 -170.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.72 -37.17 73.06 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.512 1.125 . . . . 0.0 113.373 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -68.17 -31.61 71.28 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 176.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 64.5 t -72.95 -48.34 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 119.897 1.226 . . . . 0.0 110.857 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -60.27 -41.92 94.29 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.338 0.517 . . . . 0.0 111.721 173.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.43 -48.67 80.44 Favored Glycine 0 N--CA 1.469 0.89 0 C-N-CA 124.168 0.889 . . . . 0.0 113.106 175.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -58.71 -43.05 90.0 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.868 1.334 . . . . 0.0 111.681 173.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.84 -50.69 49.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 121.437 -0.79 . . . . 0.0 113.581 170.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -55.06 -45.01 75.26 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.268 1.027 . . . . 0.0 112.201 172.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -63.6 -50.45 69.38 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.876 0.871 . . . . 0.0 112.512 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 80.6 t -54.74 -47.25 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.841 0.746 . . . . 0.0 110.859 174.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . 0.481 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -62.89 -41.29 99.37 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 178.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.96 -38.46 91.19 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.77 0.713 . . . . 0.0 111.394 175.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 65' ' ' ALA . . . . . 0.475 ' HB1' HD11 ' C' ' 83' ' ' LEU . . . -66.22 -30.35 70.78 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 169.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.46 -43.42 94.3 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.894 1.225 . . . . 0.0 111.001 167.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 29.8 m -58.8 -46.39 87.7 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 120.266 1.394 . . . . 0.0 112.662 170.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -30.58 69.96 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.002 -1.061 . . . . 0.0 112.941 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.79 -56.77 16.0 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.269 1.028 . . . . 0.0 110.441 163.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 71.4 t -53.14 -41.54 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.709 1.14 . . . . 0.0 112.674 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.64 -23.88 67.56 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -138.3 29.67 2.45 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.442 1.497 . . . . 0.0 111.87 -172.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 12.9 p -62.76 -30.18 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -162.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -78.02 -15.14 59.19 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 173.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.3 17.5 10.64 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.883 2.473 . . . . 0.0 111.053 -173.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 13.3 ttp -55.91 -29.53 5.91 Favored Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 126.359 1.864 . . . . 0.0 115.906 -170.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -50.05 23.39 0.02 OUTLIER 'Trans proline' 0 CA--C 1.553 1.426 1 C-N-CA 126.743 4.962 . . . . 0.0 119.09 161.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -150.18 -36.05 0.16 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.745 2.018 . . . . 0.0 111.014 169.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.77 -33.97 64.82 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 mt -96.83 7.6 46.24 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -175.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 67.3 m -55.47 -38.38 69.02 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 120.672 1.578 . . . . 0.0 114.601 -175.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.09 -32.84 73.43 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.913 -1.117 . . . . 0.0 112.677 172.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 83' ' ' LEU . . . . . 0.475 HD11 ' HB1' ' C' ' 65' ' ' ALA . 2.3 mt -79.78 -31.0 40.82 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.624 1.17 . . . . 0.0 111.206 179.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 45.1 t -54.82 -49.62 70.57 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 117.74 -1.124 . . . . 0.0 110.767 162.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -57.19 -36.69 71.13 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.45 1.477 . . . . 0.0 113.572 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -56.76 -62.23 1.88 Allowed 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.023 0.829 . . . . 0.0 110.853 170.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.57 -25.5 66.67 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -178.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.49 -33.2 16.04 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.926 1.239 . . . . 0.0 113.547 -173.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -135.19 2.79 3.08 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 -169.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -135.98 -18.2 1.6 Allowed 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -177.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 16.7 mt -141.23 -46.46 0.38 Allowed 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 116.539 2.051 . . . . 0.0 116.539 -172.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 46.46 32.62 1.65 Allowed 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 126.413 1.885 . . . . 0.0 115.708 -176.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 95.3 t -71.3 142.09 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.392 1.077 . . . . 0.0 111.93 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -58.65 131.74 85.74 Favored Pre-proline 0 CA--C 1.554 1.131 0 C-N-CA 125.051 1.34 . . . . 0.0 111.693 172.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -45.22 -19.84 0.4 Allowed 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.765 3.643 . . . . 0.0 116.793 173.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 10.2 p -47.92 -40.71 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 120.105 -1.622 . . . . 0.0 113.402 170.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . 0.491 ' HB3' HMC1 ' C' ' 201' ' ' HEC . 3.0 m120 -63.38 -33.9 76.56 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.198 -0.939 . . . . 0.0 112.379 174.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -57.98 -49.56 76.4 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.449 1.022 . . . . 0.0 109.316 173.345 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -57.89 -40.3 79.94 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.927 0.87 . . . . 0.0 110.978 -174.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.28 -51.12 62.83 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.653 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 52.4 tp -57.67 -48.05 80.58 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.644 -0.66 . . . . 0.0 112.666 176.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 88.1 p -63.58 -43.41 97.08 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.329 0.968 . . . . 0.0 111.681 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -58.51 -51.99 67.55 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.618 0.367 . . . . 0.0 110.633 172.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 92.7 m -60.49 -32.43 71.42 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 36.5 mt -68.5 -48.23 64.94 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.153 0.981 . . . . 0.0 111.809 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 18.1 mt -54.72 -40.57 69.37 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.488 -0.757 . . . . 0.0 110.64 173.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 76.2 t -63.52 -45.73 96.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.04 0.936 . . . . 0.0 112.877 174.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 19.6 p -67.57 -32.23 72.84 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 120.328 1.422 . . . . 0.0 112.446 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.75 -45.14 91.19 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.996 0.816 . . . . 0.0 111.082 169.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.06 -32.87 64.47 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.41 -12.24 61.45 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -128.56 -16.85 4.23 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -173.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.0 mp -114.38 124.49 30.64 Favored Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 124.969 1.308 . . . . 0.0 109.197 -177.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -40.19 -61.03 0.49 Allowed 'Trans proline' 0 C--N 1.358 1.037 1 C-N-CA 125.789 4.326 . . . . 0.0 117.981 -159.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -132.62 40.96 3.23 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 125.321 1.448 . . . . 0.0 108.836 176.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -21.37 6.33 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -164.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -62.85 7.94 0.07 Allowed 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 165.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.82 149.87 5.77 Favored Pre-proline 0 N--CA 1.477 0.911 0 CA-C-N 120.856 1.662 . . . . 0.0 111.268 -178.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -48.95 -40.06 40.29 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.526 2.151 . . . . 0.0 114.784 173.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 120' ' ' ALA . . . . . 0.609 ' HB1' HD21 ' C' ' 9' ' ' ASN . . . -72.02 -60.21 2.35 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 174.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.93 -37.96 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 120.954 -1.091 . . . . 0.0 112.694 -169.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 122' ' ' HIS . . . . . 0.506 ' CE1' HG22 ' D' ' 34' ' ' VAL . 20.8 t-160 -78.36 -43.71 26.99 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.382 1.473 . . . . 0.0 113.57 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.32 -48.32 76.96 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 119.832 1.196 . . . . 0.0 109.438 172.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 29.3 m -53.74 -63.24 1.21 Allowed 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.572 0.749 . . . . 0.0 112.046 173.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 37.6 mt -61.12 -40.81 95.18 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 120.516 -1.365 . . . . 0.0 113.895 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -64.23 -48.73 74.69 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 120.29 1.404 . . . . 0.0 111.702 177.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -28.24 65.44 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.69 0.677 . . . . 0.0 112.721 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -67.95 -45.57 73.87 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.511 1.051 . . . . 0.0 111.501 169.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.11 -31.2 69.82 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.289 -1.507 . . . . 0.0 111.443 170.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.87 -30.8 65.8 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 172.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 78.9 p -78.71 -42.27 28.81 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.25 -1.531 . . . . 0.0 111.627 170.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 73.4 t -50.41 -54.53 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.659 1.183 . . . . 0.0 109.586 169.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 87.4 p -63.68 -46.71 84.3 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 1.9 m -48.34 -51.73 24.86 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.003 0.82 . . . . 0.0 110.657 173.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.13 -43.39 88.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 123.153 0.581 . . . . 0.0 111.535 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -31.96 65.49 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.928 0.891 . . . . 0.0 112.891 175.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 98.9 m -93.93 -7.97 41.48 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.3 2.24 . . . . 0.0 112.883 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 8.6 t -142.24 77.99 1.6 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.162 1.385 . . . . 0.0 111.49 -171.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -136.93 24.01 3.06 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.73 1.212 . . . . 0.0 113.427 -177.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -72.49 133.53 44.85 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.397 -0.814 . . . . 0.0 110.254 173.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.136 1.774 . . . . 0.0 111.633 173.826 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . 0.451 HG13 ' H ' ' D' ' 2' ' ' HIS 0.313 5.3 p . . . . . 0 N--CA 1.516 2.85 0 CA-C-O 117.004 -1.474 . . . . 0.0 112.95 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 2' ' ' HIS . . . . . 0.451 ' H ' HG13 ' D' ' 1' ' ' VAL . 44.4 m80 20.25 70.68 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 128.212 2.605 . . . . 0.0 115.355 -177.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.41 156.79 12.25 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.198 -177.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.49 147.25 83.35 Favored Pre-proline 0 N--CA 1.477 0.888 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.013 162.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -50.84 -38.46 57.45 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.909 2.406 . . . . 0.0 114.837 175.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -73.72 -36.03 65.16 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.907 0.776 . . . . 0.0 111.942 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -41.22 81.27 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.542 -0.724 . . . . 0.0 111.371 171.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -54.72 -51.3 66.05 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.682 170.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 45.8 m -55.34 -43.06 74.62 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.603 1.092 . . . . 0.0 112.185 174.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.38 -48.08 81.77 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 118.938 0.79 . . . . 0.0 112.966 177.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 3.6 p -69.31 -55.34 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 CA-C-N 119.494 1.043 . . . . 0.0 112.426 174.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -68.54 -34.74 76.39 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.708 -1.245 . . . . 0.0 112.715 -169.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.54 85.66 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.564 1.075 . . . . 0.0 112.127 174.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 tt -68.09 -35.4 78.11 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.33 -0.856 . . . . 0.0 111.008 172.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -32.12 71.94 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 167.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.53 -37.37 93.22 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.189 0.9 . . . . 0.0 114.099 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -90.42 -16.9 28.17 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.68 135.39 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.763 0.825 . . . . 0.0 112.65 -167.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -87.07 88.12 7.62 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.759 0.824 . . . . 0.0 109.17 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . 0.531 HG13 HD22 ' D' ' 68' ' ' LEU . 70.5 t -52.98 -38.87 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-N 119.553 1.069 . . . . 0.0 113.828 -170.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -45.42 76.69 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 118.97 0.804 . . . . 0.0 112.85 175.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -79.26 -52.8 7.65 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.874 -0.516 . . . . 0.0 110.848 -175.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.05 -30.76 48.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.414 0 C-N-CA 123.772 0.829 . . . . 0.0 111.897 175.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.46 -45.67 17.69 Favored Glycine 0 C--N 1.341 0.854 0 CA-C-N 119.304 0.956 . . . . 0.0 111.985 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.63 -45.08 97.04 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-N 118.021 0.911 . . . . 0.0 112.52 170.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.16 -29.41 68.28 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-O 118.039 -0.982 . . . . 0.0 112.136 174.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 27' ' ' ALA . . . . . 0.51 ' HA ' HG11 ' D' ' 113' ' ' VAL . . . -68.91 -62.32 1.43 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 121.268 1.849 . . . . 0.0 111.703 172.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 17.4 tp -64.06 -37.37 87.19 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.661 -0.649 . . . . 0.0 110.453 -176.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.695 ' O ' HG13 ' D' ' 33' ' ' VAL . . . -48.89 -62.75 4.34 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-O 118.18 -1.344 . . . . 0.0 111.985 161.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -50.5 -26.17 4.85 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 120.359 2.08 . . . . 0.0 114.305 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 tt -77.67 -51.25 10.9 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 120.562 1.528 . . . . 0.0 111.523 168.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . 0.408 ' HB3' HD11 ' D' ' 48' ' ' LEU . 5.1 mp -76.46 -9.04 58.35 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 120.885 -1.135 . . . . 0.0 113.115 -176.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 33' ' ' VAL . . . . . 0.695 HG13 ' O ' ' D' ' 29' ' ' GLY . 2.9 m -74.8 -26.58 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 119.846 1.203 . . . . 0.0 114.116 172.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 34' ' ' VAL . . . . . 0.506 HG22 ' CE1' ' C' ' 122' ' ' HIS . 0.3 OUTLIER -76.16 1.51 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 CA-C-N 119.947 1.249 . . . . 0.0 113.845 -166.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 51.31 42.34 1.25 Allowed Pre-proline 0 CA--C 1.556 1.199 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -162.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -73.89 164.24 35.07 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.451 2.101 . . . . 0.0 111.747 177.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -54.31 -32.96 57.76 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.406 1.082 . . . . 0.0 113.438 168.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 16.8 p -57.68 -20.53 34.48 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 120.558 -1.339 . . . . 0.0 113.661 173.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -60.01 -16.79 33.73 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 171.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.23 -41.78 19.1 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 121.468 1.94 . . . . 0.0 112.109 169.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -74.62 3.14 8.29 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -50.59 -23.07 2.31 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -50.49 -34.04 23.55 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 171.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.09 6.07 27.06 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 176.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -123.91 23.83 8.49 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.373 1.869 . . . . 0.0 111.284 -174.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 54.13 -97.34 0.03 OUTLIER Glycine 0 CA--C 1.538 1.517 0 C-N-CA 125.778 1.656 . . . . 0.0 116.137 168.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.81 -94.5 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 125.643 1.577 . . . . 0.0 112.681 -174.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 48' ' ' LEU . . . . . 0.408 HD11 ' HB3' ' D' ' 32' ' ' LEU . 10.2 tt 58.6 -23.44 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 129.187 2.995 . . . . 0.0 117.995 174.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 59.7 p -53.8 -17.15 2.13 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.597 2.359 . . . . 0.0 115.944 -175.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 13.3 p -135.29 159.62 71.11 Favored Pre-proline 0 N--CA 1.471 0.608 0 C-N-CA 125.709 1.604 . . . . 0.0 111.659 166.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -57.45 -50.17 11.62 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.454 2.77 . . . . 0.0 114.535 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.24 -34.77 75.69 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.534 -0.729 . . . . 0.0 112.072 176.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.19 70.67 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 118.272 -0.87 . . . . 0.0 111.511 176.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 1.3 p -58.78 -31.65 45.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 CA-C-N 121.303 1.865 . . . . 0.0 114.239 -174.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 6.1 ptp -90.56 -17.94 26.09 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 177.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.79 -14.07 55.7 Favored Glycine 0 CA--C 1.54 1.649 0 C-N-CA 124.216 0.912 . . . . 0.0 114.439 170.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -65.23 120.9 71.32 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 127.014 2.126 . . . . 0.0 113.381 -173.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -63.4 -32.5 71.61 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.815 2.344 . . . . 0.0 112.764 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -70.43 -38.94 74.63 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.969 0.907 . . . . 0.0 112.301 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.82 -41.84 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.528 -0.733 . . . . 0.0 111.077 171.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -66.07 -43.88 86.1 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.479 1.036 . . . . 0.0 111.672 175.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.53 -50.37 72.96 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.799 1.181 . . . . 0.0 113.33 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -64.5 -35.86 82.33 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 120.837 -1.165 . . . . 0.0 111.707 173.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.52 -48.51 83.94 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 124.415 1.007 . . . . 0.0 112.716 173.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -58.35 -39.02 78.37 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.496 1.118 . . . . 0.0 111.977 171.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -66.8 -52.94 38.05 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.236 1.015 . . . . 0.0 113.471 175.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 4.4 m -59.94 -38.57 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 CA-C-N 120.2 1.364 . . . . 0.0 111.633 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . 0.531 HD22 HG13 ' D' ' 20' ' ' VAL . 7.0 tt -69.08 -45.06 71.25 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.281 -0.887 . . . . 0.0 111.912 175.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.74 -41.66 75.77 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 124.884 1.231 . . . . 0.0 112.022 177.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.08 -46.18 90.21 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 171.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -55.97 -41.46 74.8 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 119.628 1.104 . . . . 0.0 112.134 170.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -63.8 -44.08 94.36 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.181 0.993 . . . . 0.0 112.138 176.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.18 -30.21 66.25 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.602 1.161 . . . . 0.0 112.027 170.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.51 -63.19 5.45 Favored Glycine 0 C--N 1.341 0.83 0 C-N-CA 124.864 1.221 . . . . 0.0 110.733 168.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.4 -32.18 62.45 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.776 1.288 . . . . 0.0 113.87 177.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.72 -28.9 68.05 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 173.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -142.82 44.95 1.59 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.43 1.492 . . . . 0.0 113.244 -169.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.68 -19.57 58.79 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.699 -1.25 . . . . 0.0 114.029 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.93 -40.54 22.31 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.648 1.979 . . . . 0.0 113.927 177.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -157.16 134.48 10.49 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.333 1.053 . . . . 0.0 111.204 169.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 47.5 mt -104.2 -43.43 5.24 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.472 0.709 . . . . 0.0 112.201 -173.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -57.55 -24.9 58.75 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.507 1.523 . . . . 0.0 113.954 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.79 4.0 59.19 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 126.216 1.865 . . . . 0.0 115.554 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.25 -19.85 5.42 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 119.1 1.45 . . . . 0.0 113.376 173.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -106.71 13.17 28.38 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.668 1.187 . . . . 0.0 113.966 174.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.34 -40.2 64.71 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.833 1.197 . . . . 0.0 113.754 -177.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 6.2 p -64.39 -42.43 96.13 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.315 1.046 . . . . 0.0 112.666 173.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 15.5 mt -70.13 -32.7 70.83 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.615 -0.678 . . . . 0.0 111.95 175.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 7.3 t -63.08 -46.49 87.18 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.999 0.92 . . . . 0.0 111.359 172.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.83 -37.78 88.15 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.112 -0.992 . . . . 0.0 112.716 171.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.71 -56.59 18.03 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.489 -1.382 . . . . 0.0 111.9 174.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -74.07 -21.8 59.78 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -174.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 38.2 t -97.58 -53.39 3.45 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 174.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -85.63 -38.72 18.09 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.669 1.577 . . . . 0.0 113.254 -171.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -85.37 -28.65 25.03 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 77.2 mt -119.42 -39.7 2.86 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -174.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 50.89 18.16 0.49 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 127.683 2.393 . . . . 0.0 116.348 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 1.2 m -52.16 140.96 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.931 1.692 . . . . 0.0 112.675 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.0 136.24 96.59 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-O 119.091 -0.481 . . . . 0.0 112.239 -175.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -48.67 -35.42 29.81 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 124.235 3.29 . . . . 0.0 116.673 -175.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -50.12 -30.54 11.35 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.286 -1.509 . . . . 0.0 113.279 173.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -62.79 -37.73 87.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.295 1.038 . . . . 0.0 111.548 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 103' ' ' PHE . . . . . 0.472 ' CD1' ' HB1' ' D' ' 138' ' ' ALA . 0.4 OUTLIER -61.55 -46.18 91.01 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.601 1.091 . . . . 0.0 110.628 172.808 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 104' ' ' ARG . . . . . 0.408 ' N ' ' CD1' ' D' ' 103' ' ' PHE . 8.3 tpm_? -64.73 -36.96 85.97 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.974 0.909 . . . . 0.0 110.101 -173.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.78 -47.54 85.85 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.09 0.956 . . . . 0.0 112.007 170.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -38.19 85.53 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.581 1.082 . . . . 0.0 111.355 176.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 107' ' ' GLY . . . . . 0.419 ' O ' HG13 ' D' ' 111' ' ' VAL . . . -64.05 -54.44 30.4 Favored Glycine 0 N--CA 1.464 0.507 0 O-C-N 121.569 -0.707 . . . . 0.0 113.227 174.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -58.11 -31.99 67.67 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 121.96 0.886 . . . . 0.0 111.557 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 6.8 t -63.67 -57.06 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 120.85 -1.156 . . . . 0.0 112.008 167.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 48.3 tp -56.43 -45.46 80.75 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.383 0.992 . . . . 0.0 111.803 -177.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 111' ' ' VAL . . . . . 0.675 HG12 ' HB3' ' D' ' 130' ' ' TYR . 2.6 m -61.59 -26.76 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 121.447 -0.783 . . . . 0.0 112.45 178.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 20.1 t -94.2 -35.08 12.65 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 -172.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 113' ' ' VAL . . . . . 0.51 HG11 ' HA ' ' D' ' 27' ' ' ALA . 0.2 OUTLIER -55.88 -38.52 52.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 CA-C-N 120.213 1.37 . . . . 0.0 110.246 167.269 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 35.7 mt -63.93 -43.45 95.85 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 118.177 0.444 . . . . 0.0 111.405 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.1 -21.93 65.39 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 170.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -60.06 2.49 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.247 0.93 . . . . 0.0 111.01 167.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -25.81 66.57 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.564 0.62 . . . . 0.0 112.537 -170.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -129.87 39.14 3.73 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.0 1.72 . . . . 0.0 110.32 -175.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -48.97 -40.49 27.59 Favored Glycine 0 N--CA 1.475 1.257 0 C-N-CA 125.145 1.355 . . . . 0.0 114.584 178.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -9.7 5.06 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 171.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -134.82 11.25 3.66 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.225 1.81 . . . . 0.0 113.052 -176.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.16 27.1 0.06 Allowed 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 -168.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 19.2 p -43.54 144.82 1.23 Allowed Pre-proline 0 N--CA 1.486 1.328 0 CA-C-N 120.292 1.405 . . . . 0.0 114.182 -159.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -41.91 -47.35 6.54 Favored 'Trans proline' 0 CA--C 1.547 1.125 0 C-N-CA 122.835 2.357 . . . . 0.0 115.389 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.47 -23.7 31.84 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 121.828 1.685 . . . . 0.0 115.26 173.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -47.93 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 121.194 1.816 . . . . 0.0 110.397 173.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -64.44 -43.83 93.05 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.311 -0.868 . . . . 0.0 111.435 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.57 -32.65 69.13 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.463 0.705 . . . . 0.0 112.581 174.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.56 -52.29 22.66 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.577 0.751 . . . . 0.0 110.448 176.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 130' ' ' TYR . . . . . 0.675 ' HB3' HG12 ' D' ' 111' ' ' VAL . 45.0 m-85 -53.66 -46.78 70.7 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.013 0.525 . . . . 0.0 112.043 172.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -59.97 -39.09 84.45 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 117.837 -1.077 . . . . 0.0 112.961 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.22 -40.08 90.05 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 120.376 1.444 . . . . 0.0 113.329 172.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 17.8 t -65.92 -47.29 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 CA-C-N 119.616 1.098 . . . . 0.0 111.024 174.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.64 -40.84 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.27 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.86 -44.68 86.75 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.934 1.243 . . . . 0.0 111.185 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.96 -54.54 36.66 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 121.846 -0.534 . . . . 0.0 113.007 171.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.76 -44.35 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 118.384 1.092 . . . . 0.0 110.361 -177.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . 0.472 ' HB1' ' CD1' ' D' ' 103' ' ' PHE . . . -64.92 -42.0 95.07 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.728 1.211 . . . . 0.0 113.222 176.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -64.44 -19.48 65.57 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.367 0.985 . . . . 0.0 112.403 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.98 -42.28 24.23 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.058 -1.026 . . . . 0.0 111.905 165.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.32 -27.75 69.26 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 120.497 -1.377 . . . . 0.0 112.836 174.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -75.06 -15.55 60.62 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.415 1.886 . . . . 0.0 114.072 172.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -52.76 -44.74 66.7 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 120.794 1.634 . . . . 0.0 114.175 -173.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -69.14 -14.87 63.24 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 174.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -102.3 -19.52 14.99 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 126.701 2.0 . . . . 0.0 113.2 178.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . 0.28 0.2 OUTLIER . . . . . 0 C--O 1.254 1.33 0 C-N-CA 128.718 2.807 . . . . 0.0 115.028 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.492 HMC1 ' HB3' ' A' ' 97' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 201' ' ' HEC . . . . . 0.478 ' HHC' HBB3 ' B' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 201' ' ' HEC . . . . . 0.491 HMC1 ' HB3' ' C' ' 97' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 201' ' ' HEC . . . . . 0.486 ' HHC' HBB3 ' D' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.509 2.495 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.5 mt -137.5 -176.86 4.55 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 119.946 -1.722 . . . . 0.0 111.126 -169.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.95 167.83 16.44 Favored Pre-proline 0 N--CA 1.487 1.375 0 C-N-CA 124.691 1.196 . . . . 0.0 112.718 -176.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.53 -50.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.272 1.981 . . . . 0.0 114.525 -169.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.25 -35.14 73.6 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -169.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -63.5 -37.71 88.33 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.127 -0.983 . . . . 0.0 112.341 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -59.17 -42.44 90.81 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.718 1.145 . . . . 0.0 111.945 173.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.8 m -59.39 -40.66 87.3 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.045 0.538 . . . . 0.0 111.12 174.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -67.96 -36.91 80.87 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.758 -0.588 . . . . 0.0 112.206 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.7 t -61.08 -48.07 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 119.435 1.016 . . . . 0.0 111.244 169.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.14 -44.29 97.56 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.669 0.668 . . . . 0.0 111.812 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.42 -52.96 63.41 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.427 0.691 . . . . 0.0 111.448 174.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.79 -53.82 52.04 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.14 0.976 . . . . 0.0 112.546 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.2 t-105 -63.39 -30.04 71.24 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.327 -0.858 . . . . 0.0 112.919 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.73 -36.68 90.62 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.456 1.027 . . . . 0.0 113.221 169.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -73.95 -36.81 64.66 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 118.456 1.128 . . . . 0.0 111.468 172.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.34 -54.4 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.777 0.831 . . . . 0.0 111.268 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.13 -128.06 4.41 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.336 0.97 . . . . 0.0 113.863 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.07 -22.44 50.37 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -72.31 -7.0 47.17 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.79 -44.2 63.35 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.789 -1.194 . . . . 0.0 112.772 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.04 -46.07 94.8 Favored Glycine 0 N--CA 1.469 0.895 0 C-N-CA 123.812 0.72 . . . . 0.0 113.829 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -67.86 -36.93 81.16 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.491 1.145 . . . . 0.0 112.05 177.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -66.86 -37.59 84.74 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.071 -1.018 . . . . 0.0 112.585 173.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.67 -44.01 90.62 Favored Glycine 0 CA--C 1.532 1.139 0 O-C-N 121.098 -1.001 . . . . 0.0 112.286 173.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.72 -50.67 71.5 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.161 0.984 . . . . 0.0 110.971 174.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -65.26 -24.77 67.41 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.092 0.957 . . . . 0.0 113.331 177.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.36 -38.6 49.81 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.499 1.045 . . . . 0.0 111.821 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.4 mt -60.93 -44.05 97.79 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.505 0.722 . . . . 0.0 110.727 169.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -61.09 -49.56 76.82 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.351 0.66 . . . . 0.0 112.203 173.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -60.46 -36.88 79.29 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.654 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.8 ttp -55.38 -52.23 64.23 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.947 1.249 . . . . 0.0 111.349 169.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -55.97 27.87 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.02 0.373 . . . . 0.0 111.648 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.11 -29.68 69.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.625 0.648 . . . . 0.0 112.025 -173.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.68 ' HA ' ' HB2' ' B' ' 128' ' ' ALA . 8.2 t -72.31 -24.11 61.27 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 177.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -150.86 67.35 7.8 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 123.799 0.84 . . . . 0.0 110.247 -172.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -51.28 -27.8 24.44 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 123.808 3.005 . . . . 0.0 115.329 -171.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.43 -33.8 14.97 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.758 1.623 . . . . 0.0 114.39 172.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.5 p -70.9 -17.99 62.69 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 120.901 1.682 . . . . 0.0 114.295 175.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -57.73 -31.05 66.05 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 120.771 1.623 . . . . 0.0 112.958 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 t -73.21 -18.22 61.27 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.763 1.024 . . . . 0.0 113.763 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -32.76 74.36 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 120.695 -1.253 . . . . 0.0 112.208 177.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -147.97 78.01 9.86 Favored Pre-proline 0 CA--C 1.553 1.061 0 C-N-CA 125.656 1.582 . . . . 0.0 111.443 175.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -77.68 -0.9 11.08 Favored 'Trans proline' 0 CA--C 1.548 1.195 0 C-N-CA 123.653 2.902 . . . . 0.0 114.383 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.03 0.17 0.43 Allowed 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 -176.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.93 147.61 42.51 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.248 1.419 . . . . 0.0 112.824 -176.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -76.93 152.06 35.47 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.485 0.714 . . . . 0.0 110.401 167.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -154.45 13.87 0.43 Allowed 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 -174.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -86.63 56.41 3.99 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.119 1.368 . . . . 0.0 112.921 -173.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 68.97 118.18 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 127.566 2.346 . . . . 0.0 113.623 -177.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.33 14.08 74.99 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 121.242 -0.911 . . . . 0.0 115.064 174.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 t -58.49 133.61 55.95 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.338 1.055 . . . . 0.0 112.921 178.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.66 -27.67 68.85 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 173.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -80.64 -40.25 25.94 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.615 -0.678 . . . . 0.0 111.688 175.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.3 t -66.22 -34.01 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 121.463 -0.773 . . . . 0.0 111.794 175.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -59.87 -38.19 81.46 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 120.004 1.275 . . . . 0.0 112.718 174.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.77 -53.19 6.57 Favored Glycine 0 N--CA 1.47 0.922 0 C-N-CA 124.351 0.976 . . . . 0.0 111.854 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.36 -33.8 68.15 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.761 -0.847 . . . . 0.0 112.117 175.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -61.73 -50.66 63.81 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 125.034 1.302 . . . . 0.0 113.801 170.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -56.77 -36.13 69.46 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 118.958 1.379 . . . . 0.0 113.232 170.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -66.28 -51.76 54.26 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.005 0.82 . . . . 0.0 112.889 173.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 77.8 t -56.78 -43.35 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 CA-C-N 119.42 1.009 . . . . 0.0 111.093 173.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.57 80.78 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.133 0.973 . . . . 0.0 113.237 174.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.98 -38.82 87.34 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.96 0.8 . . . . 0.0 112.228 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.429 ' HB2' HMA1 ' A' ' 201' ' ' HEC . . . -61.32 -45.49 94.21 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 170.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.18 -44.89 88.23 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 118.818 -0.61 . . . . 0.0 111.581 172.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.9 m -57.28 -49.27 76.59 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.702 1.137 . . . . 0.0 111.9 172.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -21.93 65.52 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 120.089 1.313 . . . . 0.0 113.03 177.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.23 -51.9 18.87 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 119.472 1.033 . . . . 0.0 110.418 167.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.1 t -54.55 -46.94 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.821 1.191 . . . . 0.0 111.543 177.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.38 -21.43 50.2 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.024 1.329 . . . . 0.0 113.961 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -143.24 35.67 1.35 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.564 1.146 . . . . 0.0 111.214 -176.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.05 -23.77 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 119.602 -1.936 . . . . 0.0 116.001 -162.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -119.1 27.48 8.82 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.61 1.164 . . . . 0.0 112.402 170.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -153.68 29.02 0.48 Allowed 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 129.339 3.055 . . . . 0.0 111.661 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.9 ptt? -101.22 18.07 0.05 OUTLIER Pre-proline 0 N--CA 1.482 1.132 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 -176.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -64.86 -41.59 17.48 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 CA-C-N 123.459 2.271 . . . . 0.0 113.743 -161.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -84.82 -19.37 32.6 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.127 0.971 . . . . 0.0 112.909 171.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.43 -10.0 52.31 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -173.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.0 mt -107.39 5.26 27.19 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 120.958 -1.088 . . . . 0.0 112.984 168.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.6 m -59.37 -35.05 73.18 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.572 -1.33 . . . . 0.0 113.344 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.23 -16.22 42.84 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 172.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mt -97.29 -38.6 9.6 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.336 1.454 . . . . 0.0 110.68 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.5 t -52.21 -42.57 63.66 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.571 1.148 . . . . 0.0 111.418 161.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.64 -53.83 41.62 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.673 1.189 . . . . 0.0 111.949 170.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -54.52 -53.31 56.14 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.319 0.963 . . . . 0.0 110.983 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -52.89 -43.52 66.23 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.84 1.256 . . . . 0.0 113.607 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.8 -31.91 14.18 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -174.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -84.57 -45.47 12.53 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.169 0.988 . . . . 0.0 112.837 -175.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . 0.252 0.0 OUTLIER -147.66 52.34 1.05 Allowed 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -178.407 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.37 -62.08 0.84 Allowed 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.391 -0.818 . . . . 0.0 111.158 169.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 57.32 18.27 4.23 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 124.661 1.184 . . . . 0.0 113.623 -175.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.3 t -83.14 143.04 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 126.582 1.953 . . . . 0.0 111.655 -173.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -58.78 143.3 82.89 Favored Pre-proline 0 CA--C 1.55 0.978 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 172.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -50.73 -16.99 2.7 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 124.311 3.341 . . . . 0.0 116.574 173.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.8 p -47.92 -41.01 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 119.735 1.152 . . . . 0.0 112.995 171.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -65.36 -34.08 77.48 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.429 -0.796 . . . . 0.0 112.565 175.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -59.34 -51.81 68.32 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 119.625 1.102 . . . . 0.0 109.104 170.056 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -55.83 -51.71 66.54 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.333 0.587 . . . . 0.0 109.899 -175.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.3 mt -58.85 -50.1 75.25 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 124.006 0.922 . . . . 0.0 112.2 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.53 -41.46 93.07 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.83 1.195 . . . . 0.0 112.61 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.9 m -66.0 -46.05 79.36 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.167 1.349 . . . . 0.0 112.886 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -61.21 -43.81 98.28 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.505 1.048 . . . . 0.0 111.233 173.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 91.1 m -67.25 -34.12 76.78 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.196 -0.94 . . . . 0.0 113.489 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.4 mt -64.55 -47.12 79.93 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.042 1.292 . . . . 0.0 111.174 170.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.7 mt -53.91 -42.59 68.91 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 121.69 -0.631 . . . . 0.0 111.381 171.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 37.1 t -69.35 -38.12 76.81 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 117.749 -1.119 . . . . 0.0 113.593 177.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.6 p -73.05 -39.37 65.99 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 121.839 2.108 . . . . 0.0 112.477 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.73 -59.32 5.19 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 167.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -47.65 -47.21 29.39 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.8 -20.02 59.95 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 -174.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -131.17 -16.36 3.17 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -172.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.1 75.63 53.44 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 129.891 3.277 . . . . 0.0 106.995 170.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -44.62 146.03 2.4 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.879 3.053 . . . . 0.0 114.413 -177.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.41 16.91 0.05 Allowed 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 176.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 52.01 19.02 0.92 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.931 2.092 . . . . 0.0 114.208 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.6 p90 44.2 8.41 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 128.997 2.919 . . . . 0.0 117.207 -166.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.0 144.03 81.7 Favored Pre-proline 0 N--CA 1.478 0.93 0 O-C-N 120.513 -1.367 . . . . 0.0 111.547 -176.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -64.34 -33.34 59.19 Favored 'Trans proline' 0 CA--C 1.536 0.59 0 C-N-CA 122.519 2.146 . . . . 0.0 112.422 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.0 -39.45 72.4 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.519 -0.738 . . . . 0.0 112.423 176.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.5 t -71.63 -38.65 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-N 119.879 1.218 . . . . 0.0 111.293 174.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -61.84 -34.39 75.88 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.248 -0.908 . . . . 0.0 113.235 172.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.27 -57.14 9.19 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.495 0.589 . . . . 0.0 110.151 165.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.4 p -58.62 -55.45 34.9 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 117.687 -1.149 . . . . 0.0 113.445 -165.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.34 -43.69 97.01 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 120.11 1.323 . . . . 0.0 112.203 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.18 -51.34 31.89 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.163 0.585 . . . . 0.0 111.387 -175.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -35.84 74.63 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.063 0.545 . . . . 0.0 111.321 169.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -67.61 -44.82 77.15 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 119.701 1.137 . . . . 0.0 111.129 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.86 -28.97 68.77 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 120.465 1.484 . . . . 0.0 111.595 173.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.26 97.13 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 118.131 -0.938 . . . . 0.0 113.243 166.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 94.1 p -76.55 -35.49 58.21 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 121.535 1.971 . . . . 0.0 113.795 176.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 95.8 t -54.66 -53.59 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 119.495 1.043 . . . . 0.0 108.963 165.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.0 t -52.39 -60.34 3.34 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.907 173.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 28.4 m -51.4 -47.71 62.85 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 117.893 -1.051 . . . . 0.0 112.554 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 81.5 t -70.93 -38.48 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-N 120.417 1.462 . . . . 0.0 111.972 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.84 -41.74 78.45 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 120.27 1.395 . . . . 0.0 110.312 168.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 69.9 p -92.06 31.16 1.3 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.058 1.743 . . . . 0.0 113.596 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.3 p -169.02 -154.76 0.13 Allowed 'General case' 0 CA--C 1.545 0.784 0 O-C-N 120.443 -1.41 . . . . 0.0 111.285 175.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.442 ' HB2' ' HB2' ' C' ' 139' ' ' LYS . 10.0 tmtt? -142.62 -53.16 0.4 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 153.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.66 157.34 27.48 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -170.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.246 0 C-N-CA 125.982 1.713 . . . . 0.0 114.745 -164.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.315 7.4 p . . . . . 0 N--CA 1.511 2.604 0 CA-C-O 117.58 -1.2 . . . . 0.0 112.979 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 5.2 t60 35.18 74.03 0.07 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.075 2.15 . . . . 0.0 115.58 178.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 68.3 mt -54.43 122.54 10.69 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.318 -0.864 . . . . 0.0 111.37 176.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 63.6 m -52.55 132.47 45.24 Favored Pre-proline 0 N--CA 1.478 0.968 0 CA-C-O 117.291 -1.338 . . . . 0.0 109.523 168.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -48.72 -41.62 37.88 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.445 2.764 . . . . 0.0 116.602 -171.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.41 -36.81 79.63 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.297 -0.877 . . . . 0.0 112.382 176.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.11 -39.54 75.42 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.434 -0.791 . . . . 0.0 111.926 172.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.13 -47.21 78.59 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 117.526 -1.225 . . . . 0.0 110.386 167.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.0 t -56.8 -47.04 81.13 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.897 1.226 . . . . 0.0 111.611 175.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.87 -57.28 11.52 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.499 1.12 . . . . 0.0 113.826 177.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.527 HG23 ' CE1' ' B' ' 130' ' ' TYR . 0.2 OUTLIER -70.96 -49.83 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 CA-C-N 119.107 0.867 . . . . 0.0 111.555 176.864 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -66.42 -35.53 80.54 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.807 1.185 . . . . 0.0 112.154 -167.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.84 -38.01 87.75 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.463 1.029 . . . . 0.0 112.459 172.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 tt -70.46 -35.05 73.1 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.364 -0.835 . . . . 0.0 111.377 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -36.57 75.36 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.44 1.096 . . . . 0.0 112.9 166.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.46 -41.45 98.63 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.799 1.19 . . . . 0.0 113.957 175.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -87.3 -16.91 33.74 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.13 131.21 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.939 1.296 . . . . 0.0 111.814 -178.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -88.33 77.71 8.13 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.596 1.158 . . . . 0.0 109.861 -177.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 62.0 t -49.84 -38.89 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 124.731 1.212 . . . . 0.0 113.731 -169.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -13.57 62.37 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.894 1.278 . . . . 0.0 114.045 -178.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -124.87 -50.03 1.72 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.916 1.286 . . . . 0.0 111.198 -176.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.85 -29.56 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.107 -0.996 . . . . 0.0 112.846 173.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.65 -40.01 11.42 Favored Glycine 0 N--CA 1.47 0.958 0 O-C-N 121.344 -0.848 . . . . 0.0 112.715 176.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.96 -43.06 99.87 Favored Glycine 0 N--CA 1.476 1.321 0 CA-C-N 118.131 0.966 . . . . 0.0 112.02 169.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -56.57 -56.54 20.0 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 124.42 1.088 . . . . 0.0 111.13 166.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.51 94.55 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 121.351 1.887 . . . . 0.0 114.344 -175.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 tp -69.51 -49.74 51.78 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.096 0.862 . . . . 0.0 111.745 176.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.63 -39.62 96.79 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-N 118.263 0.483 . . . . 0.0 112.232 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -54.52 -45.73 73.41 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 117.133 -1.413 . . . . 0.0 112.01 172.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.26 -49.06 17.8 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.918 1.236 . . . . 0.0 112.12 -177.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.498 HD22 ' H ' ' B' ' 32' ' ' LEU . 2.3 mm? -62.53 -44.39 96.47 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.983 0.913 . . . . 0.0 112.706 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -78.14 -27.87 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 O-C-N 121.408 -0.808 . . . . 0.0 112.576 -177.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 19.2 t -67.77 -46.44 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 126.663 1.985 . . . . 0.0 111.049 175.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -133.74 83.75 46.64 Favored Pre-proline 0 CA--C 1.541 0.611 0 C-N-CA 124.61 1.164 . . . . 0.0 110.483 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -50.18 -18.65 3.51 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 124.613 3.542 . . . . 0.0 117.091 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 -60.26 -33.73 72.72 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.129 1.331 . . . . 0.0 112.945 170.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 73.9 p -62.96 -20.84 65.63 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 15.6 tm0? -53.42 -30.75 41.95 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.976 0.91 . . . . 0.0 113.136 167.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -60.02 -15.71 24.91 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 120.84 1.654 . . . . 0.0 114.339 175.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -108.82 1.61 21.05 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.989 1.716 . . . . 0.0 113.344 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -53.33 59.47 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 120.156 1.344 . . . . 0.0 112.513 -173.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 26.13 5.15 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.392 1 C-N-CA 134.585 5.154 . . . . 0.0 120.677 -176.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -162.48 -28.43 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.928 2.091 . . . . 0.0 113.007 -169.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -52.36 -32.55 38.88 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 176.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.56 159.51 17.32 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 124.859 1.218 . . . . 0.0 114.891 175.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 49.5 t0 42.5 -98.53 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 127.028 2.131 . . . . 0.0 114.078 -173.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 47.59 9.93 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 118.972 2.953 . . . . 0.0 118.972 176.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -57.71 -22.18 44.85 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -172.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 69.3 p -134.54 162.45 57.66 Favored Pre-proline 0 N--CA 1.471 0.586 0 C-N-CA 126.205 1.802 . . . . 0.0 110.573 171.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -50.06 -40.72 50.25 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.104 2.536 . . . . 0.0 114.263 167.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -62.75 -44.51 96.01 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.482 0.713 . . . . 0.0 111.795 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.86 -45.02 94.52 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.616 0.766 . . . . 0.0 112.796 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -66.21 -37.65 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 O-C-N 120.988 -1.07 . . . . 0.0 112.781 -177.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 3.0 ttm -79.64 -12.93 59.81 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.69 -21.86 10.04 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.074 1.321 . . . . 0.0 115.11 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -55.16 117.15 13.4 Favored Pre-proline 0 CA--C 1.554 1.13 0 CA-C-N 119.221 1.51 . . . . 0.0 111.893 177.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -51.35 -40.28 62.08 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 124.072 3.181 . . . . 0.0 115.159 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -26.16 61.53 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.038 -1.038 . . . . 0.0 112.514 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 97.7 t -69.13 -33.4 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 119.488 1.04 . . . . 0.0 111.456 169.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -64.71 -44.81 89.04 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.457 1.481 . . . . 0.0 111.746 168.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.08 -49.42 77.72 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 118.776 0.717 . . . . 0.0 112.804 174.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -67.12 -28.29 68.03 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.691 -1.255 . . . . 0.0 112.195 174.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.73 -49.07 82.52 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 125.815 1.674 . . . . 0.0 113.094 168.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -58.55 -40.19 82.32 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.992 -0.711 . . . . 0.0 111.564 168.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -63.77 -51.82 63.11 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.326 1.05 . . . . 0.0 112.639 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 13.1 p -62.51 -46.62 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 119.273 0.942 . . . . 0.0 112.317 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 tt -69.39 -37.38 77.49 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.508 -0.745 . . . . 0.0 110.866 177.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.8 -43.92 48.24 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 125.262 1.41 . . . . 0.0 112.718 170.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.67 80.41 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 118.733 1.266 . . . . 0.0 112.428 172.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.497 ' HZ ' HBB2 ' B' ' 201' ' ' HEC . 62.2 m-85 -59.01 -37.02 75.93 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.285 -1.51 . . . . 0.0 113.279 172.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.3 t -67.86 -43.92 78.31 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.978 1.311 . . . . 0.0 112.884 175.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -56.59 -37.42 70.61 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.998 0.919 . . . . 0.0 111.225 168.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.16 -57.61 18.29 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 123.429 0.538 . . . . 0.0 112.294 170.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.7 mt -57.94 -24.26 57.16 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 176.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.47 -19.73 27.58 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.573 1.549 . . . . 0.0 114.824 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -141.19 41.04 1.78 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.688 1.595 . . . . 0.0 112.764 -172.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 95.8 mt -55.8 -19.19 10.49 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 120.634 -1.291 . . . . 0.0 114.222 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -52.69 -42.06 64.45 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.816 1.646 . . . . 0.0 113.186 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -153.73 113.49 3.85 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.691 1.596 . . . . 0.0 110.212 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 88.5 mt -94.32 2.43 55.84 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.253 1.021 . . . . 0.0 113.453 176.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -87.21 -53.24 4.95 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.525 -1.359 . . . . 0.0 112.443 -174.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.18 -36.77 71.71 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.605 0.622 . . . . 0.0 113.467 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.8 p -69.31 -12.64 61.83 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.231 1.813 . . . . 0.0 114.486 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -130.03 9.65 5.33 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.191 1.396 . . . . 0.0 112.912 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.37 -34.51 70.77 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 -170.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 21.9 p -65.81 -39.31 90.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.996 0.918 . . . . 0.0 112.018 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 53.0 mt -73.65 -40.77 63.49 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.755 1.222 . . . . 0.0 111.638 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 98.6 p -64.43 -41.52 96.54 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.781 1.173 . . . . 0.0 111.445 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.2 -48.57 79.94 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.382 0.673 . . . . 0.0 112.67 170.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.6 tp -51.27 -55.16 19.69 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.645 0.778 . . . . 0.0 111.828 173.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -74.72 -31.04 61.73 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.096 -1.003 . . . . 0.0 113.329 -173.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 85.2 m -78.66 -39.03 38.05 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.6 1.091 . . . . 0.0 113.799 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -107.65 -24.49 11.72 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -169.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -24.86 19.76 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 174.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 32.0 mt -128.23 -44.81 1.4 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.515 1.126 . . . . 0.0 113.585 -172.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 15.2 t60 55.97 22.32 5.69 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 127.659 2.383 . . . . 0.0 116.39 -176.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 23.9 m -61.13 154.23 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 120.733 -1.229 . . . . 0.0 112.595 173.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.03 157.58 86.8 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 127.9 2.48 . . . . 0.0 113.08 -176.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.02 -41.24 40.62 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 124.646 3.564 . . . . 0.0 115.204 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -61.07 -30.11 70.14 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.923 -1.11 . . . . 0.0 113.13 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -62.7 -41.02 98.91 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.13 0.877 . . . . 0.0 111.388 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -65.49 -46.78 78.38 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.557 0.743 . . . . 0.0 110.325 174.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -55.45 -43.8 75.75 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.076 0.55 . . . . 0.0 110.961 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 34.9 mt -58.37 -45.08 88.92 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.015 1.326 . . . . 0.0 113.431 175.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 tt -58.88 -46.58 87.51 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.593 1.088 . . . . 0.0 110.534 173.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.12 -38.44 95.58 Favored Glycine 0 CA--C 1.534 1.277 0 O-C-N 121.107 -0.996 . . . . 0.0 113.929 174.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -63.44 -39.93 95.79 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.652 1.226 . . . . 0.0 111.803 174.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.54 -54.21 37.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.447 -0.783 . . . . 0.0 110.708 167.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 45.9 tp -50.98 -53.57 32.05 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.375 1.07 . . . . 0.0 111.944 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 24.7 m -60.03 -35.73 62.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 118.928 0.785 . . . . 0.0 112.564 177.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 24.3 t -64.3 -38.27 90.45 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.784 0.72 . . . . 0.0 111.719 178.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 1.9 m -67.93 -43.69 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.05 -1.031 . . . . 0.0 111.46 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -38.43 84.44 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.585 -0.697 . . . . 0.0 111.595 172.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.66 -21.44 62.8 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.146 0.884 . . . . 0.0 112.895 172.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -63.11 1.46 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.493 0.717 . . . . 0.0 111.559 166.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -66.4 -27.43 67.84 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 119.568 1.077 . . . . 0.0 113.753 -170.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -114.58 28.13 8.95 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.185 1.794 . . . . 0.0 111.072 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.87 -36.92 51.65 Favored Glycine 0 N--CA 1.472 1.085 0 C-N-CA 124.763 1.173 . . . . 0.0 115.396 -175.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -65.39 -7.18 12.6 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.531 1.533 . . . . 0.0 114.66 173.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -126.27 22.73 7.12 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.173 1.789 . . . . 0.0 111.949 -168.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -59.65 80.62 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 127.299 2.24 . . . . 0.0 113.922 175.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.92 148.59 87.67 Favored Pre-proline 0 N--CA 1.482 1.133 0 O-C-N 120.231 -1.543 . . . . 0.0 111.588 176.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . 0.448 ' CB ' ' HD3' ' B' ' 125' ' ' PRO 0.364 12.5 Cg_exo -33.37 -93.54 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 2.011 1 C-N-CA 126.865 5.043 . . . . 0.0 118.199 -173.191 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . 0.448 ' HD3' ' CB ' ' B' ' 124' ' ' PRO . 70.6 Cg_exo -70.13 17.82 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 CA-C-N 124.576 2.67 . . . . 0.0 118.585 169.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 2.4 p -53.91 -42.96 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 CA-C-N 123.261 2.755 . . . . 0.0 113.871 -167.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -64.16 -41.36 97.17 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.245 -0.909 . . . . 0.0 111.802 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . 0.68 ' HB2' ' HA ' ' A' ' 35' ' ' SER . . . -60.74 -46.14 91.58 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.437 1.095 . . . . 0.0 111.789 174.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.67 95.95 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.288 1.035 . . . . 0.0 111.088 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.527 ' CE1' HG23 ' B' ' 11' ' ' VAL . 37.6 m-85 -59.77 -52.29 66.12 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 118.591 -0.718 . . . . 0.0 112.415 168.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -38.04 64.83 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.839 1.2 . . . . 0.0 112.505 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -61.69 -51.86 66.67 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.796 1.239 . . . . 0.0 113.378 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.4 -36.29 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 CA-C-N 120.041 1.291 . . . . 0.0 113.018 175.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 26.1 t -59.13 -45.6 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.949 1.299 . . . . 0.0 111.394 173.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.11 94.5 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.124 0.875 . . . . 0.0 111.774 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.65 -50.52 64.64 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 121.851 -0.531 . . . . 0.0 112.827 170.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 33.1 t -61.04 -44.59 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 117.98 0.89 . . . . 0.0 112.277 175.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -57.7 -49.73 75.54 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.32 0.964 . . . . 0.0 111.969 175.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.4 -36.88 85.18 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.167 0.587 . . . . 0.0 112.184 176.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.65 95.96 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.416 -0.802 . . . . 0.0 112.63 172.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 8.6 mt -68.25 -31.95 71.8 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 120.599 -1.313 . . . . 0.0 112.202 175.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.46 -6.65 41.95 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 169.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -56.31 -41.49 76.05 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.149 -1.595 . . . . 0.0 113.188 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -70.31 5.7 1.63 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.316 1.446 . . . . 0.0 114.838 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -58.69 -18.13 28.41 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 120.387 1.449 . . . . 0.0 113.628 167.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 3.3 p80 . . . . . 0 C--O 1.255 1.37 0 C-N-CA 125.502 1.521 . . . . 0.0 114.947 176.93 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.51 2.551 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 45.2 mt -137.53 -176.93 4.57 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 119.967 -1.708 . . . . 0.0 111.212 -169.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.91 167.93 16.11 Favored Pre-proline 0 N--CA 1.487 1.384 0 C-N-CA 124.689 1.196 . . . . 0.0 112.837 -176.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.61 -50.12 0.09 OUTLIER 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.317 2.011 . . . . 0.0 114.429 -169.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.34 -34.88 73.19 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -169.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -63.64 -37.38 87.11 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.085 -1.01 . . . . 0.0 112.379 177.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -59.55 -42.38 92.27 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.688 1.131 . . . . 0.0 111.827 173.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 38.7 m -59.48 -41.01 88.82 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.189 0.596 . . . . 0.0 110.939 174.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -67.48 -37.04 82.28 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.724 -0.61 . . . . 0.0 112.253 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 69.9 t -61.16 -48.06 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.481 1.037 . . . . 0.0 111.227 170.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -60.99 -44.33 97.56 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.763 0.711 . . . . 0.0 111.898 178.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.39 -53.0 63.23 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.426 0.69 . . . . 0.0 111.429 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.72 -53.88 51.16 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.056 0.942 . . . . 0.0 112.589 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -63.3 -29.99 71.21 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.21 -0.931 . . . . 0.0 112.956 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.92 -36.51 90.39 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.408 1.004 . . . . 0.0 113.215 169.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -73.96 -36.73 64.63 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 118.411 1.105 . . . . 0.0 111.528 172.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 90.6 t -59.39 -54.4 34.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.826 0.85 . . . . 0.0 111.205 176.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.05 -128.1 4.34 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.326 0.965 . . . . 0.0 113.883 -177.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.01 -22.48 49.84 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -72.37 -6.79 45.88 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.01 -44.03 63.96 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 120.854 -1.154 . . . . 0.0 112.792 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.15 -45.93 95.03 Favored Glycine 0 C--N 1.341 0.854 0 CA-C-O 119.297 -0.724 . . . . 0.0 113.881 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -67.88 -36.96 81.16 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 118.57 1.185 . . . . 0.0 112.053 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 12.5 m-30 -66.8 -37.8 85.24 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 121.135 -0.978 . . . . 0.0 112.507 173.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.46 -43.97 91.27 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 121.186 -0.946 . . . . 0.0 112.368 173.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.86 -50.55 72.11 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.105 0.962 . . . . 0.0 111.072 174.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -65.25 -24.74 67.41 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 124.116 0.966 . . . . 0.0 113.443 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.45 -38.41 49.46 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.555 1.07 . . . . 0.0 111.884 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.09 -44.03 97.98 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.523 0.729 . . . . 0.0 110.658 169.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -61.06 -49.48 77.18 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.307 0.643 . . . . 0.0 112.278 173.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -60.52 -36.93 79.57 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 117.902 -1.047 . . . . 0.0 112.583 175.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 26.8 ttp -55.44 -52.14 64.58 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.977 1.262 . . . . 0.0 111.396 169.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -55.87 29.1 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 117.956 0.344 . . . . 0.0 111.644 179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.06 -29.67 69.52 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.583 0.628 . . . . 0.0 112.158 -173.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . 0.681 ' HA ' ' HB2' ' D' ' 128' ' ' ALA . 8.2 t -72.24 -24.22 61.34 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 177.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -150.81 67.51 7.88 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 123.762 0.825 . . . . 0.0 110.198 -172.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -51.53 -27.65 25.84 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.835 3.023 . . . . 0.0 115.242 -171.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.18 -33.85 13.24 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.889 1.676 . . . . 0.0 114.417 172.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 35.9 p -71.14 -18.07 62.52 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 120.856 1.662 . . . . 0.0 114.039 175.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -57.61 -31.21 66.0 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 120.93 1.696 . . . . 0.0 112.952 -178.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 1.7 t -73.22 -18.03 61.28 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -32.64 74.13 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.772 -1.205 . . . . 0.0 112.195 177.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -148.07 78.16 9.72 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.665 1.586 . . . . 0.0 111.446 174.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -77.65 -0.86 11.04 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 C-N-CA 123.739 2.959 . . . . 0.0 114.372 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.17 0.28 0.44 Allowed 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 -176.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.99 147.7 42.51 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.3 1.44 . . . . 0.0 112.826 -176.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -77.17 152.15 34.96 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.461 0.704 . . . . 0.0 110.407 167.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -154.57 14.04 0.42 Allowed 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 115.254 1.576 . . . . 0.0 115.254 -174.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -86.8 56.41 3.99 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.156 1.383 . . . . 0.0 112.875 -173.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 69.13 118.15 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.567 2.347 . . . . 0.0 113.761 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.24 14.34 74.61 Favored Glycine 0 CA--C 1.536 1.389 0 O-C-N 121.135 -0.978 . . . . 0.0 115.088 174.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -58.51 133.89 56.22 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.444 1.097 . . . . 0.0 112.86 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.14 -26.68 68.45 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.038 0.935 . . . . 0.0 113.378 173.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -81.69 -40.33 22.97 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.737 -0.602 . . . . 0.0 111.741 175.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -66.14 -33.84 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 121.286 -0.884 . . . . 0.0 111.882 175.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -60.27 -37.77 81.48 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 120.041 1.292 . . . . 0.0 112.69 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.88 -53.15 6.49 Favored Glycine 0 N--CA 1.471 1.03 0 C-N-CA 124.395 0.997 . . . . 0.0 111.85 177.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.41 -33.95 68.4 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.801 -0.823 . . . . 0.0 111.973 175.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -61.6 -50.66 63.99 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 124.973 1.273 . . . . 0.0 113.806 170.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -56.79 -36.21 69.62 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 118.988 1.394 . . . . 0.0 113.166 170.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -66.12 -51.74 55.08 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.087 0.858 . . . . 0.0 112.943 173.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 76.5 t -57.01 -43.17 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 119.475 1.034 . . . . 0.0 111.091 174.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.82 -48.46 81.24 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.015 0.926 . . . . 0.0 113.261 174.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.07 -38.78 87.46 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.924 0.784 . . . . 0.0 112.217 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 65' ' ' ALA . . . . . 0.426 ' HB2' HMA1 ' C' ' 201' ' ' HEC . . . -61.26 -45.56 94.02 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 170.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.27 -44.6 88.5 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.628 172.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 96.2 m -57.55 -49.18 77.19 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.736 1.153 . . . . 0.0 111.822 172.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -22.23 65.65 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 120.143 1.338 . . . . 0.0 113.018 177.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.19 -51.63 20.26 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 119.495 1.043 . . . . 0.0 110.394 167.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 69.9 t -54.59 -47.16 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 119.963 1.256 . . . . 0.0 111.465 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.29 -21.49 49.14 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.092 1.357 . . . . 0.0 113.899 -178.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -143.2 35.58 1.35 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.58 1.152 . . . . 0.0 111.313 -176.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.16 -23.69 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 119.555 -1.966 . . . . 0.0 115.927 -162.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -119.1 27.36 8.89 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.642 1.177 . . . . 0.0 112.469 170.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -153.71 29.15 0.47 Allowed 'General case' 0 CA--C 1.559 1.307 0 C-N-CA 129.186 2.994 . . . . 0.0 111.531 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 15.1 ptt? -101.2 18.08 0.05 OUTLIER Pre-proline 0 N--CA 1.481 1.085 0 N-CA-C 116.261 1.949 . . . . 0.0 116.261 -176.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -64.9 -41.75 16.75 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 CA-C-N 123.475 2.277 . . . . 0.0 113.651 -161.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -84.6 -19.54 32.87 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.053 0.941 . . . . 0.0 113.005 171.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.19 -10.15 52.21 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -173.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 52.2 mt -107.31 5.44 27.52 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.695 1.134 . . . . 0.0 113.102 168.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 58.7 m -59.52 -35.09 73.49 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.649 -1.282 . . . . 0.0 113.357 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.16 -16.31 43.26 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 172.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mt -97.04 -38.75 9.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.483 1.513 . . . . 0.0 110.725 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 14.9 t -52.08 -42.71 63.42 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.693 1.197 . . . . 0.0 111.418 161.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.67 -53.82 42.05 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.711 1.204 . . . . 0.0 111.927 170.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -54.58 -53.07 59.43 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.367 0.985 . . . . 0.0 111.017 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -53.05 -43.63 66.78 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.793 1.237 . . . . 0.0 113.58 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.79 -31.83 14.22 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -173.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -84.48 -45.59 12.5 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.092 0.957 . . . . 0.0 112.819 -176.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER -147.52 51.81 1.06 Allowed 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -178.256 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.93 -62.23 0.86 Allowed 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.496 -0.753 . . . . 0.0 111.193 169.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 57.24 18.47 4.27 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.64 1.176 . . . . 0.0 113.549 -175.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 58.2 t -83.2 143.06 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 126.516 1.926 . . . . 0.0 111.637 -173.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -58.79 143.32 82.91 Favored Pre-proline 0 CA--C 1.551 1.003 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 172.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -50.77 -17.01 2.74 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 124.291 3.327 . . . . 0.0 116.536 173.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.04 -40.72 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 119.783 1.174 . . . . 0.0 112.994 171.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -65.51 -34.08 77.42 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.444 -0.788 . . . . 0.0 112.507 175.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -59.57 -51.48 69.66 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.598 1.09 . . . . 0.0 109.029 170.212 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -56.16 -51.67 67.14 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.274 0.559 . . . . 0.0 109.866 -175.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 63.8 mt -58.72 -50.17 74.88 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.932 0.893 . . . . 0.0 112.24 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.46 -41.53 93.27 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.829 1.195 . . . . 0.0 112.588 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 37.6 m -66.01 -46.13 79.04 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 120.215 1.371 . . . . 0.0 112.791 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -61.19 -43.8 98.31 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.602 1.092 . . . . 0.0 111.265 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 90.6 m -67.41 -33.8 75.91 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 27.5 mt -64.58 -47.26 79.37 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.145 1.338 . . . . 0.0 111.222 170.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 7.7 mt -53.9 -42.67 68.94 Favored 'General case' 0 C--O 1.224 -0.246 0 O-C-N 121.623 -0.673 . . . . 0.0 111.371 171.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 37.2 t -69.21 -38.1 77.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 117.784 -1.103 . . . . 0.0 113.68 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 32.2 p -72.83 -39.83 66.28 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 121.761 2.073 . . . . 0.0 112.536 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 19.8 mt -56.43 -59.39 5.04 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 167.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -47.67 -47.26 29.59 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.62 -20.15 60.02 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 -174.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -131.17 -16.16 3.2 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -172.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.23 75.62 52.58 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 129.953 3.301 . . . . 0.0 106.994 170.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -44.71 146.09 2.45 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.86 3.04 . . . . 0.0 114.412 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.6 17.14 0.05 Allowed 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 176.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 51.96 18.88 0.88 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.813 2.045 . . . . 0.0 114.4 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 43.0 p90 44.36 8.42 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 128.953 2.901 . . . . 0.0 117.151 -166.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.08 144.08 81.52 Favored Pre-proline 0 N--CA 1.478 0.946 0 O-C-N 120.573 -1.329 . . . . 0.0 111.522 -176.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -64.44 -33.37 57.92 Favored 'Trans proline' 0 CA--C 1.537 0.675 0 C-N-CA 122.396 2.064 . . . . 0.0 112.339 175.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.56 72.86 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.647 0.658 . . . . 0.0 112.383 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 58.9 t -71.77 -38.53 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 119.863 1.21 . . . . 0.0 111.132 174.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -61.95 -34.43 76.1 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.324 -0.86 . . . . 0.0 113.153 172.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.22 -56.92 10.07 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.656 0.662 . . . . 0.0 110.144 165.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 26.7 p -59.04 -55.16 38.72 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 117.741 -1.123 . . . . 0.0 113.519 -164.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 66.6 mt -63.32 -43.59 97.36 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 120.019 1.281 . . . . 0.0 112.268 -175.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.2 -51.36 31.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.28 0.632 . . . . 0.0 111.346 -175.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.18 -36.13 74.78 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.101 0.56 . . . . 0.0 111.313 169.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -67.43 -44.76 77.95 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 119.735 1.152 . . . . 0.0 111.322 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.94 -28.87 68.64 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.527 1.512 . . . . 0.0 111.577 173.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.42 97.38 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-O 118.118 -0.944 . . . . 0.0 113.219 166.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 95.3 p -76.66 -35.38 58.0 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 121.516 1.962 . . . . 0.0 113.736 176.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.63 -53.65 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.625 1.102 . . . . 0.0 108.998 165.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 133' ' ' SER . . . . . . . . . . . . . 26.6 t -52.35 -60.26 3.44 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.907 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 26.6 m -51.66 -47.56 63.73 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 117.916 -1.04 . . . . 0.0 112.564 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 80.8 t -71.02 -38.42 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 120.497 1.499 . . . . 0.0 111.98 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.81 -41.94 78.69 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 120.247 1.385 . . . . 0.0 110.316 168.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 70.2 p -91.91 31.32 1.25 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.971 1.708 . . . . 0.0 113.411 175.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 4.3 p -169.03 -154.88 0.13 Allowed 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.499 -1.376 . . . . 0.0 111.366 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 139' ' ' LYS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 139' ' ' LYS . 10.0 tmtt? -142.58 -53.07 0.4 Allowed 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 153.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.54 157.24 27.37 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -170.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.287 0 C-N-CA 125.904 1.681 . . . . 0.0 114.824 -164.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.315 7.4 p . . . . . 0 N--CA 1.513 2.718 0 CA-C-O 117.614 -1.184 . . . . 0.0 112.987 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 5.2 t60 34.99 74.07 0.07 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.057 2.143 . . . . 0.0 115.595 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 67.6 mt -54.58 122.66 11.05 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.371 -0.831 . . . . 0.0 111.269 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 61.6 m -52.55 132.43 45.22 Favored Pre-proline 0 N--CA 1.478 0.946 0 CA-C-O 117.253 -1.356 . . . . 0.0 109.558 168.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -48.76 -41.77 37.92 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.482 2.788 . . . . 0.0 116.512 -170.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -68.24 -36.93 80.23 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.484 -0.76 . . . . 0.0 112.367 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.01 -39.38 75.88 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.348 -0.845 . . . . 0.0 112.063 172.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -47.26 79.18 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 117.557 -1.211 . . . . 0.0 110.367 167.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 20.6 t -56.84 -47.02 81.29 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 120.05 1.295 . . . . 0.0 111.639 175.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.9 -57.31 11.45 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.491 1.116 . . . . 0.0 113.891 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 11' ' ' VAL . . . . . 0.522 HG23 ' CE1' ' D' ' 130' ' ' TYR . 0.2 OUTLIER -70.77 -49.89 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 119.177 0.899 . . . . 0.0 111.63 176.692 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 17.6 m -66.29 -35.53 80.63 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.78 1.173 . . . . 0.0 112.229 -167.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.9 -38.07 87.77 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.395 0.998 . . . . 0.0 112.464 172.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 tt -70.38 -34.95 73.17 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.253 -0.904 . . . . 0.0 111.334 173.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -36.53 76.0 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.638 1.175 . . . . 0.0 112.725 166.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.45 -41.8 98.75 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.81 1.195 . . . . 0.0 113.963 175.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -86.85 -16.93 34.62 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 175.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.14 131.26 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.883 1.273 . . . . 0.0 111.865 -178.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -88.47 77.88 7.98 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.548 1.139 . . . . 0.0 109.813 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -50.0 -38.95 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 124.813 1.245 . . . . 0.0 113.676 -168.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -13.56 62.36 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.833 1.253 . . . . 0.0 114.136 -178.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -124.6 -50.13 1.75 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.725 1.21 . . . . 0.0 111.17 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.71 -29.63 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 119.285 0.948 . . . . 0.0 112.798 173.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.77 -39.89 11.42 Favored Glycine 0 N--CA 1.472 1.064 0 O-C-N 121.337 -0.852 . . . . 0.0 112.676 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.95 -43.05 99.87 Favored Glycine 0 N--CA 1.476 1.305 0 CA-C-N 118.16 0.98 . . . . 0.0 112.008 169.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -56.69 -56.58 19.63 Favored 'General case' 0 C--O 1.214 -0.793 0 C-N-CA 124.487 1.115 . . . . 0.0 111.014 167.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.58 94.3 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 121.43 1.923 . . . . 0.0 114.369 -176.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 33.6 tp -69.63 -49.52 53.08 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.136 0.88 . . . . 0.0 111.834 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.62 -39.68 96.86 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-N 118.298 0.499 . . . . 0.0 112.22 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 30' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -54.49 -45.72 73.29 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 117.163 -1.398 . . . . 0.0 112.037 172.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -49.24 17.01 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 120.086 1.312 . . . . 0.0 112.057 -177.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . 0.495 HD22 ' H ' ' D' ' 32' ' ' LEU . 2.3 mm? -62.4 -44.32 96.72 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.109 0.964 . . . . 0.0 112.736 179.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -78.34 -27.91 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 121.374 -0.829 . . . . 0.0 112.508 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 19.1 t -67.77 -46.35 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.71 2.004 . . . . 0.0 111.07 175.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -133.78 83.68 46.61 Favored Pre-proline 0 CA--C 1.539 0.549 0 C-N-CA 124.619 1.167 . . . . 0.0 110.472 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_exo -50.08 -18.79 3.48 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 124.714 3.609 . . . . 0.0 117.04 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 -60.24 -33.79 72.78 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 120.135 1.334 . . . . 0.0 112.979 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 73.0 p -62.72 -20.99 65.45 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -53.4 -30.67 41.24 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.909 0.884 . . . . 0.0 113.135 167.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -60.04 -15.73 25.29 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 120.979 1.718 . . . . 0.0 114.228 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -108.88 1.48 20.85 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.077 1.751 . . . . 0.0 113.299 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -53.32 59.61 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.205 1.366 . . . . 0.0 112.475 -173.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 26.05 5.1 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.471 1 C-N-CA 134.547 5.139 . . . . 0.0 120.627 -176.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -162.3 -28.56 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.049 2.14 . . . . 0.0 113.087 -169.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -52.28 -32.55 37.95 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 176.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.64 159.49 17.55 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.841 1.21 . . . . 0.0 114.858 175.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 49.4 t0 42.49 -98.42 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 127.084 2.154 . . . . 0.0 114.078 -173.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 47.43 10.02 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 119.019 2.97 . . . . 0.0 119.019 176.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -57.8 -22.15 45.8 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -172.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 68.8 p -134.43 162.48 57.47 Favored Pre-proline 0 N--CA 1.473 0.713 0 C-N-CA 126.209 1.804 . . . . 0.0 110.643 171.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -50.01 -40.67 49.79 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.069 2.513 . . . . 0.0 114.399 167.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -62.8 -44.53 95.91 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.503 0.721 . . . . 0.0 111.725 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.72 -45.12 94.22 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.661 0.784 . . . . 0.0 112.88 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -66.21 -37.79 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 O-C-N 121.1 -1.0 . . . . 0.0 112.669 -177.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 3.0 ttm -79.56 -12.75 59.84 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.94 -21.89 9.82 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.988 1.28 . . . . 0.0 115.079 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -55.14 117.04 12.98 Favored Pre-proline 0 CA--C 1.557 1.237 0 CA-C-N 119.185 1.492 . . . . 0.0 111.926 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -51.24 -40.32 61.04 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 123.946 3.097 . . . . 0.0 115.167 178.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -26.1 61.57 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.999 -1.063 . . . . 0.0 112.582 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.21 -33.24 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 CA-C-N 119.44 1.018 . . . . 0.0 111.513 169.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.71 -45.02 88.36 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 120.426 1.466 . . . . 0.0 111.739 168.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.85 -49.45 77.66 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -67.16 -28.3 68.0 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.469 -1.394 . . . . 0.0 112.215 174.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.81 -49.08 82.38 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 125.828 1.68 . . . . 0.0 113.043 168.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -58.51 -40.26 82.37 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 122.042 -0.681 . . . . 0.0 111.497 168.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -63.69 -51.8 63.47 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.299 1.04 . . . . 0.0 112.661 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 13.8 p -62.53 -46.54 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 CA-C-N 119.354 0.979 . . . . 0.0 112.363 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.57 -37.44 76.99 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.482 -0.761 . . . . 0.0 110.751 177.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.59 -43.99 46.39 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 125.161 1.363 . . . . 0.0 112.904 169.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.33 -48.48 81.11 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.558 1.179 . . . . 0.0 112.516 172.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . 0.509 ' HZ ' HBB2 ' D' ' 201' ' ' HEC . 62.2 m-85 -59.09 -37.02 76.13 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.316 -1.49 . . . . 0.0 113.24 172.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 7.3 t -67.73 -44.14 78.3 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.167 1.387 . . . . 0.0 112.753 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -56.55 -37.32 70.35 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.902 0.881 . . . . 0.0 111.27 168.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.16 -57.65 18.11 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 123.453 0.549 . . . . 0.0 112.313 170.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 10.5 mt -57.78 -24.43 57.11 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 176.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.43 -19.76 27.59 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.567 1.547 . . . . 0.0 114.882 175.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -141.19 41.07 1.78 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.648 1.579 . . . . 0.0 112.767 -172.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 96.2 mt -55.65 -19.19 9.71 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 120.65 -1.282 . . . . 0.0 114.257 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -52.83 -42.14 64.88 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.733 1.613 . . . . 0.0 113.126 172.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -153.63 113.31 3.84 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.678 1.591 . . . . 0.0 110.223 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 88.6 mt -94.25 2.48 55.88 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.11 0.964 . . . . 0.0 113.445 176.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -87.17 -53.06 5.06 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 120.45 -1.406 . . . . 0.0 112.449 -174.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.24 -36.82 71.18 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 123.661 0.648 . . . . 0.0 113.555 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 1.9 p -69.37 -12.6 61.79 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.21 1.804 . . . . 0.0 114.431 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -130.06 9.53 5.31 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.241 1.416 . . . . 0.0 112.952 -177.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.22 -34.5 70.48 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -170.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 21.8 p -65.97 -39.28 90.24 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.96 0.904 . . . . 0.0 111.908 171.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 53.3 mt -73.74 -40.59 63.42 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.581 1.152 . . . . 0.0 111.645 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 96.5 p -64.34 -41.66 96.65 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 119.82 1.191 . . . . 0.0 111.462 176.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -58.12 -48.44 80.2 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.562 -0.711 . . . . 0.0 112.685 170.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 15.4 tp -51.6 -55.09 21.21 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.738 0.815 . . . . 0.0 111.712 173.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -74.75 -30.92 61.64 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.106 -0.996 . . . . 0.0 113.247 -173.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 85.2 m -78.77 -39.17 36.73 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.684 1.129 . . . . 0.0 113.793 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -107.42 -24.53 11.79 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -169.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.2 -24.99 19.75 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.983 0.811 . . . . 0.0 113.077 174.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 32.3 mt -128.2 -44.84 1.41 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.528 1.131 . . . . 0.0 113.591 -172.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 15.0 t60 56.2 22.16 5.89 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 127.544 2.337 . . . . 0.0 116.391 -176.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 23.2 m -61.19 154.32 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 O-C-N 120.766 -1.209 . . . . 0.0 112.549 173.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.14 157.64 86.56 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 127.923 2.489 . . . . 0.0 113.078 -176.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -49.05 -41.29 40.77 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 124.625 3.55 . . . . 0.0 115.187 178.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -61.02 -30.11 70.11 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 120.856 -1.153 . . . . 0.0 113.289 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -62.67 -40.88 98.47 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.98 0.809 . . . . 0.0 111.49 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -65.65 -46.79 77.82 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.58 0.752 . . . . 0.0 110.25 174.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -55.47 -43.81 75.87 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.994 0.518 . . . . 0.0 110.974 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 34.9 mt -58.36 -44.92 89.03 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.925 1.29 . . . . 0.0 113.495 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.02 -46.51 88.03 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.702 1.137 . . . . 0.0 110.491 173.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.21 -38.41 95.59 Favored Glycine 0 CA--C 1.535 1.302 0 O-C-N 121.137 -0.977 . . . . 0.0 113.918 174.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -63.37 -40.03 96.15 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.582 1.191 . . . . 0.0 111.716 174.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 71.0 t -59.39 -54.45 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.314 -0.866 . . . . 0.0 110.61 167.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 45.8 tp -50.91 -53.59 31.4 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.301 1.04 . . . . 0.0 111.968 -178.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 24.9 m -60.06 -35.69 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 118.849 0.749 . . . . 0.0 112.522 177.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 24.5 t -64.47 -38.08 89.76 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.763 0.711 . . . . 0.0 111.681 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 1.9 m -68.0 -43.68 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 121.09 -1.006 . . . . 0.0 111.486 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -38.64 85.33 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.504 -0.748 . . . . 0.0 111.609 172.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.55 -21.52 62.65 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.056 0.843 . . . . 0.0 112.923 172.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.79 -63.27 1.42 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.591 0.756 . . . . 0.0 111.476 166.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -66.2 -27.33 67.9 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -170.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -114.72 27.95 9.08 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.175 1.79 . . . . 0.0 111.119 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -52.57 -37.47 50.15 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.927 1.251 . . . . 0.0 115.412 -175.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -64.95 -7.5 11.81 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.541 1.536 . . . . 0.0 114.791 173.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -125.9 21.97 7.48 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.111 1.765 . . . . 0.0 111.877 -168.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -58.77 83.84 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 127.045 2.138 . . . . 0.0 113.749 175.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.26 149.5 94.33 Favored Pre-proline 0 N--CA 1.481 1.106 0 O-C-N 120.353 -1.467 . . . . 0.0 111.444 176.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . 0.447 ' CB ' ' HD3' ' D' ' 125' ' ' PRO 0.364 13.1 Cg_exo -33.62 -93.35 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.052 1 C-N-CA 126.978 5.119 . . . . 0.0 118.159 -173.896 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' D' D ' 125' ' ' PRO . . . . . 0.447 ' HD3' ' CB ' ' D' ' 124' ' ' PRO . 71.6 Cg_exo -70.21 17.84 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 CA-C-N 124.538 2.656 . . . . 0.0 118.718 169.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 2.0 p -53.76 -43.11 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 CA-C-N 123.273 2.76 . . . . 0.0 113.881 -167.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -64.46 -41.16 96.69 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.42 -0.8 . . . . 0.0 111.691 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 128' ' ' ALA . . . . . 0.681 ' HB2' ' HA ' ' C' ' 35' ' ' SER . . . -60.94 -46.11 92.01 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.324 1.05 . . . . 0.0 111.755 174.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.23 -43.59 95.92 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.147 0.979 . . . . 0.0 111.206 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 130' ' ' TYR . . . . . 0.522 ' CE1' HG23 ' D' ' 11' ' ' VAL . 37.8 m-85 -59.75 -52.34 65.92 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 118.565 -0.731 . . . . 0.0 112.422 168.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.02 -37.92 64.6 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.837 1.199 . . . . 0.0 112.583 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -61.84 -51.76 66.92 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.827 1.251 . . . . 0.0 113.404 173.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.36 -36.33 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 CA-C-N 119.941 1.246 . . . . 0.0 112.962 175.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 134' ' ' VAL . . . . . . . . . . . . . 25.8 t -59.26 -45.61 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.963 1.305 . . . . 0.0 111.336 173.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.14 94.42 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.141 0.882 . . . . 0.0 111.727 175.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.58 -50.65 63.46 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 123.374 0.512 . . . . 0.0 112.86 170.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 32.8 t -60.89 -44.62 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 117.921 0.86 . . . . 0.0 112.319 175.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -57.79 -49.67 75.84 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.311 0.96 . . . . 0.0 111.932 175.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.27 -37.03 85.64 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.751 -0.593 . . . . 0.0 112.272 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.69 96.22 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.348 -0.845 . . . . 0.0 112.648 172.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 8.7 mt -68.18 -31.95 71.85 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 120.556 -1.34 . . . . 0.0 112.153 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.46 -6.64 41.94 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 169.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -56.21 -41.63 75.91 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.191 -1.568 . . . . 0.0 113.114 -173.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -70.35 5.84 1.59 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.349 1.46 . . . . 0.0 114.876 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -59.0 -17.8 28.37 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 120.346 1.43 . . . . 0.0 113.671 168.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 3.2 p80 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 125.472 1.509 . . . . 0.0 114.956 176.767 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.461 ' HHD' HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 201' ' ' HEC . . . . . 0.497 HBB2 ' HZ ' ' B' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 201' ' ' HEC . . . . . 0.459 ' HHD' HBC3 ' C' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 201' ' ' HEC . . . . . 0.509 HBB2 ' HZ ' ' D' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.497 1.912 0 CA-C-O 116.147 -1.883 . . . . 0.0 108.468 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.403 ' CD1' HG22 ' A' ' 73' ' ' VAL . 46.1 mt 131.7 -169.87 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 131.157 3.783 . . . . 0.0 111.15 -173.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.52 165.28 23.73 Favored Pre-proline 0 N--CA 1.476 0.843 0 C-N-CA 127.003 2.121 . . . . 0.0 112.363 -173.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.78 -39.77 1.71 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.215 1.944 . . . . 0.0 112.111 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.49 -34.19 60.84 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 118.816 -0.612 . . . . 0.0 112.201 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.434 ' OD2' ' HE3' ' A' ' 127' ' ' LYS . 0.6 OUTLIER -61.17 -44.41 97.34 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 119.953 1.251 . . . . 0.0 110.702 178.076 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -51.75 -50.86 59.8 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.938 0.895 . . . . 0.0 112.338 173.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.3 m -54.85 -44.43 73.97 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.259 0.936 . . . . 0.0 111.469 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -72.42 -33.09 66.86 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.8 -51.06 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-N 119.175 0.898 . . . . 0.0 110.384 169.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -60.88 -41.32 95.75 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.746 0.819 . . . . 0.0 111.021 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.58 -54.14 49.98 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.302 0.641 . . . . 0.0 111.384 172.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.8 -54.06 47.13 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.657 0.662 . . . . 0.0 111.973 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -65.65 -25.07 67.18 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.028 0.931 . . . . 0.0 113.463 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.85 -36.8 93.88 Favored Glycine 0 CA--C 1.534 1.263 0 O-C-N 121.18 -0.95 . . . . 0.0 113.253 169.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -77.1 -32.48 56.63 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 118.043 0.922 . . . . 0.0 111.765 172.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.6 t -58.94 -50.98 77.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.146 0.978 . . . . 0.0 111.41 173.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.45 -134.62 6.6 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 123.887 0.756 . . . . 0.0 113.79 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.73 -19.57 64.08 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -70.4 -6.51 36.14 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.042 -1.036 . . . . 0.0 113.54 176.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -40.05 -56.42 1.87 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.443 1.497 . . . . 0.0 113.074 175.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.95 -33.47 87.33 Favored Glycine 0 N--CA 1.468 0.83 0 O-C-N 121.657 -0.652 . . . . 0.0 114.247 -178.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.36 -47.57 85.26 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.385 1.074 . . . . 0.0 109.755 173.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -67.47 -37.94 83.65 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.901 0.48 . . . . 0.0 111.964 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.81 -49.27 80.52 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-N 118.625 0.648 . . . . 0.0 112.708 171.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.72 -49.83 75.91 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.138 0.969 . . . . 0.0 111.292 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -57.32 -37.26 72.23 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 173.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HA ' ' HB3' ' A' ' 104' ' ' CYS . . . -67.92 -37.31 81.51 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.198 0.908 . . . . 0.0 113.033 -179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.46 -46.41 88.61 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.148 0.979 . . . . 0.0 111.531 170.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.42 -48.04 83.01 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.792 -0.568 . . . . 0.0 112.023 176.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -54.33 -46.18 72.84 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 118.198 -0.906 . . . . 0.0 111.753 172.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.8 ttp -57.48 -46.61 83.5 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.977 0.808 . . . . 0.0 112.675 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.43 -54.14 50.2 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.583 0.629 . . . . 0.0 110.918 172.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.8 -40.64 97.14 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.297 0.639 . . . . 0.0 112.273 -173.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.8 p -76.51 -29.68 56.88 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.133 1.373 . . . . 0.0 112.922 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.89 76.01 23.62 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.714 1.606 . . . . 0.0 109.32 -172.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -49.53 -28.1 15.71 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 124.279 3.319 . . . . 0.0 115.392 -177.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -40.64 -44.99 2.26 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.631 1.972 . . . . 0.0 113.343 165.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 p -63.34 -26.21 68.66 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -176.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -54.78 -30.98 58.16 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.611 1.096 . . . . 0.0 113.04 174.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 t -59.03 -31.41 68.81 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 175.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.422 ' CD1' HG22 ' A' ' 93' ' ' VAL . 30.2 m-85 -80.27 12.06 3.16 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.828 1.251 . . . . 0.0 113.6 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -123.64 63.39 27.4 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 126.583 1.953 . . . . 0.0 110.586 172.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -70.42 -4.65 14.9 Favored 'Trans proline' 0 CA--C 1.548 1.18 0 C-N-CA 123.917 3.078 . . . . 0.0 114.512 -176.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.85 22.03 1.6 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.127 1.771 . . . . 0.0 113.736 -170.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -129.03 109.17 10.98 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.75 1.22 . . . . 0.0 110.31 -168.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -73.9 113.38 10.99 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.613 -0.68 . . . . 0.0 111.203 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.8 mt -89.1 35.01 0.79 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.008 0.923 . . . . 0.0 112.216 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.0 m -53.38 150.99 5.85 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.519 1.528 . . . . 0.0 112.105 174.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -58.33 125.07 21.7 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.23 -0.919 . . . . 0.0 110.976 176.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.63 20.58 78.6 Favored Glycine 0 CA--C 1.541 1.66 0 CA-C-O 118.842 -0.977 . . . . 0.0 115.074 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.51 117.18 2.27 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.062 1.431 . . . . 0.0 114.102 -175.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.33 -35.92 68.16 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.436 1.095 . . . . 0.0 113.01 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -63.22 -38.35 90.81 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 173.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.6 t -70.46 -42.89 78.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 CA-C-N 119.789 1.177 . . . . 0.0 110.874 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -60.66 -47.79 84.66 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.876 0.871 . . . . 0.0 111.561 174.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.98 -57.45 19.66 Favored Glycine 0 C--O 1.222 -0.656 0 C-N-CA 125.154 1.359 . . . . 0.0 111.882 173.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -52.32 -43.77 64.73 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.68 1.24 . . . . 0.0 112.237 176.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.47 -49.1 40.27 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.262 -0.743 . . . . 0.0 114.249 170.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -55.8 -44.91 78.25 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.417 1.109 . . . . 0.0 111.934 172.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' HB3' HMA3 ' A' ' 201' ' ' HEC . 51.0 mttt -62.84 -52.07 64.56 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 118.945 0.793 . . . . 0.0 111.649 178.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.0 t -53.25 -47.45 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.993 0.917 . . . . 0.0 110.805 175.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.52 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -73.62 -34.42 65.02 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -176.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -65.39 -36.65 84.63 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 121.162 -0.961 . . . . 0.0 111.58 170.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.44 -30.13 70.42 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.154 -0.966 . . . . 0.0 112.787 168.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -45.72 90.09 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.733 -1.23 . . . . 0.0 111.255 166.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 54.0 m -55.36 -46.41 76.44 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 120.143 1.338 . . . . 0.0 112.479 169.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.93 -27.5 65.81 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.839 -1.163 . . . . 0.0 112.816 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.57 -56.61 14.6 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 117.182 -1.39 . . . . 0.0 110.422 160.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -48.47 -39.6 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 CA-C-N 121.359 1.89 . . . . 0.0 112.666 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.17 -24.7 66.7 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -145.43 42.16 1.26 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.002 1.721 . . . . 0.0 112.95 -169.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.403 HG22 ' CD1' ' A' ' 2' ' ' LEU . 7.3 p -87.31 -45.76 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -161.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -80.29 -7.91 59.24 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 120.696 1.589 . . . . 0.0 111.729 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -119.49 2.68 11.25 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.325 -1.484 . . . . 0.0 113.57 -170.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 mtt -27.31 88.33 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.19 0 C-N-CA 128.216 2.607 . . . . 0.0 115.427 -167.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -91.57 49.62 0.66 Allowed 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.522 2.814 . . . . 0.0 111.487 -165.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . 0.339 0.0 OUTLIER 72.44 16.49 4.94 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.503 1.921 . . . . 0.0 114.457 -164.591 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.12 -16.81 61.22 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -177.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.1 mt -101.48 4.19 40.97 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 119.589 1.086 . . . . 0.0 112.504 170.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.6 t -59.74 -36.64 77.01 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.777 -1.202 . . . . 0.0 113.649 -174.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.7 -28.15 63.57 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.252 0.933 . . . . 0.0 112.571 172.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mt -85.17 -43.1 14.12 Favored 'General case' 0 CA--C 1.526 0.052 0 C-N-CA 124.722 1.209 . . . . 0.0 110.341 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -55.47 -38.75 69.49 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.874 -0.584 . . . . 0.0 111.606 169.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -64.37 -48.25 76.19 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.069 1.348 . . . . 0.0 112.561 171.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.17 -45.58 72.13 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.451 1.023 . . . . 0.0 110.254 175.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -69.37 -61.99 1.56 Allowed 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.657 -0.652 . . . . 0.0 110.242 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.6 -28.48 65.63 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -173.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -109.18 3.87 22.29 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.067 0.947 . . . . 0.0 112.993 -174.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -142.04 -35.95 0.43 Allowed 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -176.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.87 -48.42 0.33 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 115.659 1.726 . . . . 0.0 115.659 -173.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 52.54 50.0 19.17 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 127.642 2.377 . . . . 0.0 114.955 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.422 HG22 ' CD1' ' A' ' 42' ' ' TYR . 6.3 t -59.35 148.37 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.508 0.723 . . . . 0.0 112.076 175.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.501 ' HB2' HG12 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -64.2 139.68 97.75 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 123.978 0.911 . . . . 0.0 111.587 175.389 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.23 -13.02 1.77 Allowed 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 124.019 3.146 . . . . 0.0 115.547 170.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.501 HG12 ' HB2' ' A' ' 94' ' ' ASP . 9.3 p -51.43 -45.39 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 120.79 1.632 . . . . 0.0 111.946 168.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.43 ' CB ' HMC1 ' A' ' 201' ' ' HEC . 3.2 m120 -59.11 -37.85 78.17 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.439 -0.788 . . . . 0.0 111.03 174.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.446 ' CG ' ' HB3' ' A' ' 133' ' ' SER . 12.4 t80 -60.27 -51.01 71.36 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 118.561 -0.733 . . . . 0.0 110.881 173.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -57.59 -32.21 66.95 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 119.283 0.947 . . . . 0.0 112.262 -177.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.8 mt -70.65 -57.76 4.37 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.412 1.085 . . . . 0.0 110.003 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.3 tp -50.54 -45.1 56.7 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.837 1.655 . . . . 0.0 112.725 176.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.9 p -65.66 -44.96 84.73 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.371 -0.83 . . . . 0.0 112.827 -178.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -39.07 88.85 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.566 -0.708 . . . . 0.0 111.068 170.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 76.8 m -64.25 -38.4 90.92 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.579 -0.701 . . . . 0.0 111.188 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.1 mt -63.66 -49.7 72.16 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.228 1.011 . . . . 0.0 111.638 173.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.2 mt -49.58 -47.44 49.41 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.283 0.947 . . . . 0.0 110.608 173.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.2 t -54.34 -48.56 67.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 123.353 0.661 . . . . 0.0 112.405 173.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -38.68 89.23 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 120.402 1.455 . . . . 0.0 112.581 177.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mt -59.23 -44.16 92.34 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.853 0.751 . . . . 0.0 109.836 176.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.65 -35.75 68.73 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.417 -0.802 . . . . 0.0 112.876 175.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.21 -6.98 10.82 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -137.91 -31.09 0.79 Allowed 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -173.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.2 170.32 16.57 Favored Pre-proline 0 CA--C 1.555 1.157 0 C-N-CA 124.919 1.287 . . . . 0.0 109.949 168.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -75.07 -128.67 0.01 OUTLIER 'Trans proline' 0 CA--C 1.546 1.096 0 C-N-CA 122.741 2.294 . . . . 0.0 108.798 164.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.4 61.07 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.408 1.483 . . . . 0.0 113.847 172.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.86 -17.11 1.22 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 119.394 -2.066 . . . . 0.0 114.462 176.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.407 ' CE2' ' HA ' ' B' ' 113' ' ' VAL . 0.2 OUTLIER -97.31 28.68 3.54 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 127.296 2.239 . . . . 0.0 112.793 179.332 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.5 170.88 1.16 Allowed Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 119.127 -2.233 . . . . 0.0 111.226 168.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -56.78 -51.4 9.09 Favored 'Trans proline' 0 C--N 1.346 0.434 0 CA-C-N 122.744 2.016 . . . . 0.0 111.615 166.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.2 -34.46 77.69 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.665 -0.683 . . . . 0.0 112.705 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.8 t -96.9 -38.05 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 119.661 1.118 . . . . 0.0 112.781 -176.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -69.68 -49.48 53.11 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 120.482 1.492 . . . . 0.0 111.603 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.04 -50.74 72.41 Favored 'General case' 0 C--N 1.345 0.412 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.3 t -48.66 -60.86 2.37 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 118.082 -0.961 . . . . 0.0 112.897 174.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.95 -41.54 91.11 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.913 1.233 . . . . 0.0 112.17 -173.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.83 -50.37 72.54 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.444 1.02 . . . . 0.0 111.963 176.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.434 ' HE3' ' OD2' ' A' ' 6' ' ' ASP . 0.0 OUTLIER -71.73 -31.02 66.26 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 178.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -60.54 -56.64 18.94 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.781 1.233 . . . . 0.0 109.842 171.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.53 -37.47 81.29 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.671 177.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.52 -38.13 74.16 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 120.495 1.498 . . . . 0.0 114.2 170.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.1 m -70.99 -36.91 72.66 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 120.215 -1.553 . . . . 0.0 112.684 170.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 94.8 t -57.56 -49.38 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-O 117.18 -1.39 . . . . 0.0 109.485 171.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.446 ' HB3' ' CG ' ' A' ' 98' ' ' PHE . 1.4 p -60.43 -43.69 96.53 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 120.98 1.718 . . . . 0.0 113.209 174.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 42.9 m -51.0 -48.32 61.42 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.965 1.257 . . . . 0.0 110.913 174.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 64.0 t -78.94 -26.31 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -3.07 29.83 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.351 -1.468 . . . . 0.0 113.369 168.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 84.9 m -123.45 -17.91 6.37 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.405 1.482 . . . . 0.0 112.473 -176.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.8 p -63.86 136.62 57.54 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 120.882 -1.136 . . . . 0.0 112.613 173.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -74.15 138.27 43.73 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.937 0.895 . . . . 0.0 110.553 173.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 54.05 -45.47 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 129.444 3.097 . . . . 0.0 118.358 178.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 . . . . . 0 C--O 1.25 1.105 0 C-N-CA 126.627 1.971 . . . . 0.0 110.772 173.394 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . 0.431 HG11 HD22 ' B' ' 78' ' ' LEU 0.301 1.4 p . . . . . 0 N--CA 1.515 2.812 0 CA-C-O 117.638 -1.173 . . . . 0.0 112.779 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 35.97 67.19 0.31 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 126.887 2.075 . . . . 0.0 114.742 172.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.21 162.59 4.39 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.349 0.66 . . . . 0.0 112.407 -173.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.15 151.16 87.21 Favored Pre-proline 0 N--CA 1.479 1.019 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.452 166.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -52.85 -35.48 70.26 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 122.61 2.207 . . . . 0.0 114.662 172.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -73.4 -42.54 61.99 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.531 -0.73 . . . . 0.0 112.388 176.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -63.5 -44.99 92.74 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.481 -0.762 . . . . 0.0 111.534 173.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -51.53 66.94 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.486 1.114 . . . . 0.0 110.524 172.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.8 t -51.44 -48.44 62.73 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.556 0.616 . . . . 0.0 111.067 175.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.4 -56.95 15.54 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 4.1 p -62.75 -49.26 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 120.144 1.338 . . . . 0.0 111.621 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -75.21 -33.43 61.37 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.927 0.785 . . . . 0.0 112.58 -171.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.85 -35.77 79.14 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 120.3 1.409 . . . . 0.0 111.768 172.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -36.34 77.31 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.384 -0.822 . . . . 0.0 111.336 172.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -58.61 -42.78 88.94 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.927 0.891 . . . . 0.0 112.146 167.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.16 -31.67 59.33 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.461 1.505 . . . . 0.0 115.618 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -94.61 -12.3 27.71 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 118.41 1.105 . . . . 0.0 113.519 174.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.46 137.48 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 124.144 0.978 . . . . 0.0 111.801 -168.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -85.02 83.54 8.02 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 175.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 41.8 t -53.47 -33.74 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 CA-C-N 119.699 1.136 . . . . 0.0 113.266 -169.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -38.81 92.31 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.617 1.567 . . . . 0.0 112.713 174.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -107.15 -40.14 5.51 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.451 0.7 . . . . 0.0 111.676 -166.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.26 -33.6 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 119.327 0.967 . . . . 0.0 110.805 162.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.12 -47.89 7.27 Favored Glycine 0 C--N 1.342 0.906 0 O-C-N 121.504 -0.748 . . . . 0.0 111.387 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.88 -43.3 94.85 Favored Glycine 0 C--N 1.337 0.611 0 CA-C-N 117.678 0.739 . . . . 0.0 112.572 171.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.56 ' HB2' HH11 ' B' ' 30' ' ' ARG . 4.4 pt-20 -72.14 -43.61 64.41 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 116.851 -1.547 . . . . 0.0 111.98 176.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.99 95.72 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 122.612 2.46 . . . . 0.0 112.229 177.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.2 tp -68.14 -45.45 73.55 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-O 119.377 -0.344 . . . . 0.0 111.702 177.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.36 -44.14 93.59 Favored Glycine 0 N--CA 1.465 0.621 0 O-C-N 120.881 -1.137 . . . . 0.0 111.52 171.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.56 HH11 ' HB2' ' B' ' 26' ' ' GLU . 0.6 OUTLIER -63.39 -21.7 66.44 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 116.829 -1.558 . . . . 0.0 113.759 177.297 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 tp -65.97 -55.23 17.82 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.85 1.659 . . . . 0.0 110.205 161.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.83 -31.66 72.42 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.465 -0.772 . . . . 0.0 112.016 -172.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.513 HG22 ' HA ' ' B' ' 30' ' ' ARG . 12.4 m -68.5 -19.81 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 t -63.52 -3.99 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 CA-C-N 120.876 1.671 . . . . 0.0 112.056 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 45.38 45.52 2.35 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 126.14 1.776 . . . . 0.0 111.704 -161.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -76.15 167.41 25.99 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 121.018 1.145 . . . . 0.0 109.203 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -51.85 -23.09 4.34 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 168.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 3.1 p -57.56 -23.62 51.6 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 120.768 -1.208 . . . . 0.0 112.567 171.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -55.55 -19.24 9.34 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.741 1.216 . . . . 0.0 113.32 174.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.422 ' HD3' ' CD2' ' B' ' 41' ' ' PHE . 0.0 OUTLIER -51.13 -39.99 57.5 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.315 1.871 . . . . 0.0 112.749 167.496 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . 0.422 ' CD2' ' HD3' ' B' ' 40' ' ' ARG . 68.0 m-85 -88.87 6.49 38.91 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.405 1.082 . . . . 0.0 113.462 -178.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.24 -27.01 5.3 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 176.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -50.63 -18.2 0.65 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 128.6 2.76 . . . . 0.0 116.369 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 30.4 p -109.13 -3.16 17.54 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.722 1.609 . . . . 0.0 114.176 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.476 ' HZ ' HBC3 ' B' ' 201' ' ' HEC . 29.4 m-85 -96.74 -17.14 20.49 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -171.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.06 150.78 0.55 Allowed Glycine 0 CA--C 1.536 1.396 0 CA-C-N 119.47 1.032 . . . . 0.0 114.619 -178.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 t0 37.54 -82.67 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 128.807 2.843 . . . . 0.0 115.939 -172.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 42.66 -12.01 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.236 1 C-N-CA 132.527 4.331 . . . . 0.0 121.61 176.44 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 21.9 t -58.15 -17.34 17.85 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.175 1.79 . . . . 0.0 114.551 -171.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 2.1 p -136.7 166.45 27.44 Favored Pre-proline 0 N--CA 1.472 0.646 0 C-N-CA 126.71 2.004 . . . . 0.0 109.782 -176.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -59.63 -53.44 3.33 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 121.702 1.601 . . . . 0.0 112.47 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.42 -36.14 73.14 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.213 1.005 . . . . 0.0 111.73 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.7 -59.87 4.52 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.258 0.623 . . . . 0.0 111.634 170.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.6 p -65.59 -35.27 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 120.485 -1.385 . . . . 0.0 113.479 -171.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 5.9 mtt -77.2 -30.79 54.94 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.54 0.736 . . . . 0.0 112.862 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.47 -24.46 23.82 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 123.905 0.764 . . . . 0.0 114.32 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.531 HD22 HG23 ' B' ' 60' ' ' VAL . 8.0 t30 -61.83 125.76 85.64 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 124.642 1.177 . . . . 0.0 112.996 -174.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -64.33 -38.23 35.75 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.305 2.67 . . . . 0.0 113.645 -170.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -61.76 -38.55 88.44 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.186 0.903 . . . . 0.0 112.512 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.531 HG23 HD22 ' B' ' 57' ' ' ASN . 95.7 t -65.16 -37.63 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-O 118.701 -0.666 . . . . 0.0 110.806 172.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -67.93 -47.54 68.45 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 120.117 1.326 . . . . 0.0 111.873 175.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.86 75.63 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.97 0.908 . . . . 0.0 113.247 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.39 -36.53 80.51 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.748 -1.22 . . . . 0.0 111.09 171.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.0 -48.09 64.04 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 126.145 1.831 . . . . 0.0 113.192 169.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -60.56 -34.53 74.29 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 118.536 -0.745 . . . . 0.0 112.622 171.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -68.8 -50.35 50.96 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.103 0.961 . . . . 0.0 113.044 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -52.43 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 119.992 1.269 . . . . 0.0 111.139 175.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 tt -72.64 -32.26 65.75 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.944 -0.472 . . . . 0.0 112.263 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.72 -35.7 75.48 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 125.031 1.301 . . . . 0.0 112.793 170.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.14 86.74 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.726 1.263 . . . . 0.0 111.184 166.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.428 ' CE1' HG11 ' B' ' 137' ' ' VAL . 2.0 m-30 -59.18 -34.56 72.27 Favored 'General case' 0 CA--C 1.552 1.053 0 O-C-N 120.518 -1.364 . . . . 0.0 111.584 177.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -44.32 76.99 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.449 1.1 . . . . 0.0 113.63 171.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.22 -34.13 68.24 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.692 0.797 . . . . 0.0 111.457 170.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.42 -63.71 4.77 Favored Glycine 0 C--O 1.221 -0.679 0 CA-C-O 119.019 -0.878 . . . . 0.0 111.535 167.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.01 -31.53 30.06 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 118.983 1.391 . . . . 0.0 114.124 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.27 -25.62 51.59 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.788 1.635 . . . . 0.0 115.117 175.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -146.01 44.79 1.26 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.827 1.651 . . . . 0.0 112.645 -170.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.431 HD22 HG11 ' B' ' 1' ' ' VAL . 33.1 mt -57.45 -18.01 16.12 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -178.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -50.67 -39.87 52.15 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.465 1.506 . . . . 0.0 113.86 170.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -150.98 96.33 2.31 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.903 0.881 . . . . 0.0 112.096 -175.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.43 HD21 HD23 ' B' ' 78' ' ' LEU . 28.8 mt -81.46 -45.76 15.54 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.47 -0.768 . . . . 0.0 112.98 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -56.88 -23.85 47.64 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 173.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.5 -7.67 64.84 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.464 1.507 . . . . 0.0 115.142 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.81 -19.08 12.55 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 118.925 1.363 . . . . 0.0 112.758 175.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . 0.522 ' CE2' HG23 ' B' ' 137' ' ' VAL . 18.5 m-85 -108.43 5.57 25.45 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.09 -39.34 55.88 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 121.002 1.728 . . . . 0.0 114.992 -173.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 10.6 p -64.84 -35.95 82.75 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.424 1.09 . . . . 0.0 112.833 172.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.95 -41.77 70.67 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 124.578 1.151 . . . . 0.0 110.55 172.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -56.96 -42.41 80.06 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.651 1.114 . . . . 0.0 111.007 172.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -65.69 -45.1 84.11 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.328 -0.858 . . . . 0.0 112.688 172.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.07 -50.85 70.31 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 120.699 -1.251 . . . . 0.0 112.081 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -78.81 -8.33 58.69 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -176.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' B' ' 97' ' ' HIS . 11.4 t -119.61 -65.8 1.13 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.776 0.717 . . . . 0.0 112.764 176.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.59 -35.9 82.5 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.524 -1.36 . . . . 0.0 114.132 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -94.43 -69.36 0.76 Allowed 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 65.2 mt -77.69 -33.13 53.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.29 1.036 . . . . 0.0 112.147 -175.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.404 ' HA ' ' HA ' ' B' ' 93' ' ' CYS . 0.1 OUTLIER 52.54 21.61 1.87 Allowed 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -176.514 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -45.79 127.99 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 125.185 1.394 . . . . 0.0 111.01 174.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.27 132.56 91.59 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-O 118.854 -0.593 . . . . 0.0 111.805 -173.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -47.94 -24.91 5.65 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 124.805 3.67 . . . . 0.0 118.488 -174.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -51.25 -35.56 37.77 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.913 1.233 . . . . 0.0 112.094 171.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -66.43 -35.16 79.62 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.482 1.513 . . . . 0.0 111.433 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -65.36 -46.62 79.45 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.784 0.834 . . . . 0.0 110.833 175.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -62.71 -43.72 98.07 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 121.726 -0.609 . . . . 0.0 111.798 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 19.8 mt -55.04 -49.72 70.87 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 119.387 -0.34 . . . . 0.0 111.382 172.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.4 HD13 HBB3 ' B' ' 201' ' ' HEC . 0.7 OUTLIER -58.54 -33.88 70.38 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.323 0.649 . . . . 0.0 112.63 179.553 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -68.15 -51.78 31.36 Favored Glycine 0 N--CA 1.467 0.746 0 O-C-N 121.27 -0.893 . . . . 0.0 113.763 169.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -63.74 -33.96 76.81 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.981 -0.717 . . . . 0.0 112.572 -177.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 15.5 m -67.74 -42.19 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 117.799 -1.096 . . . . 0.0 112.375 169.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 41.7 tp -60.09 -48.79 80.24 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 121.147 1.794 . . . . 0.0 111.337 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 33.6 m -59.23 -34.78 54.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.623 0.647 . . . . 0.0 111.909 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 8.1 t -64.34 -41.27 96.86 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.709 0.686 . . . . 0.0 112.802 171.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . 0.407 ' HA ' ' CE2' ' A' ' 117' ' ' PHE 0.266 1.5 m -72.21 -38.52 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 O-C-N 120.464 -1.398 . . . . 0.0 113.052 -179.8 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 21.8 mt -55.94 -42.86 76.82 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.389 0.675 . . . . 0.0 110.552 170.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.47 -22.25 64.9 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 115.049 1.499 . . . . 0.0 115.049 176.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -76.63 -63.55 1.32 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 121.371 1.896 . . . . 0.0 111.382 168.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -63.57 -23.26 67.31 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -168.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -125.7 18.89 7.99 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.137 1.375 . . . . 0.0 112.779 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -47.94 -41.01 20.56 Favored Glycine 0 N--CA 1.479 1.536 0 C-N-CA 125.3 1.429 . . . . 0.0 116.304 -172.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -58.98 -16.94 20.5 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 126.112 1.765 . . . . 0.0 114.83 176.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -134.14 13.39 3.9 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 127.336 2.254 . . . . 0.0 111.947 -177.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -95.58 59.5 2.12 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.651 1.18 . . . . 0.0 112.079 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 54.0 p -54.93 157.06 6.05 Favored Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 125.643 1.577 . . . . 0.0 113.325 -172.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -48.36 -47.05 21.18 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 121.943 1.762 . . . . 0.0 114.883 173.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -59.68 -31.23 93.91 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.091 1.86 . . . . 0.0 114.98 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.37 -40.51 73.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 121.264 1.847 . . . . 0.0 112.852 -178.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 8.6 tm0? -57.82 -51.83 67.96 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.95 -44.23 86.84 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 123.683 0.793 . . . . 0.0 112.718 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -56.51 -54.32 47.15 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.877 1.271 . . . . 0.0 111.558 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -53.15 -50.6 64.23 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.589 0.631 . . . . 0.0 112.126 171.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -36.61 72.8 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 118.421 -0.799 . . . . 0.0 111.781 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -69.87 -38.29 76.36 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.706 1.139 . . . . 0.0 112.847 177.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 22.0 t -59.77 -47.36 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 CA-C-N 119.574 1.079 . . . . 0.0 110.559 167.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 65.9 t -78.5 -26.33 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 122.842 0.457 . . . . 0.0 112.176 -171.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.85 97.56 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.042 -1.661 . . . . 0.0 110.56 167.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.52 -47.39 90.19 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 124.146 0.879 . . . . 0.0 113.088 169.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . 0.522 HG23 ' CE2' ' B' ' 85' ' ' PHE . 0.4 OUTLIER -57.15 -46.03 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 CA-C-N 119.313 1.556 . . . . 0.0 111.837 174.448 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.91 89.91 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.858 0.754 . . . . 0.0 111.311 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.31 -39.22 86.22 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.58 0.752 . . . . 0.0 112.776 172.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.61 -42.41 78.18 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.721 -0.612 . . . . 0.0 112.285 175.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.17 -41.12 98.01 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.443 1.474 . . . . 0.0 111.53 173.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.6 -11.45 11.45 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.709 1.203 . . . . 0.0 114.092 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -53.47 -35.42 60.54 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 121.55 1.977 . . . . 0.0 114.237 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -76.37 -6.95 53.86 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 176.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.74 -21.98 5.47 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.649 1.98 . . . . 0.0 113.783 -176.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 . . . . . 0 C--O 1.256 1.445 0 C-N-CA 129.004 2.922 . . . . 0.0 114.696 -174.163 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.5 2.06 0 CA-C-O 116.314 -1.803 . . . . 0.0 108.351 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 46.3 mt 131.56 -169.95 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 131.256 3.822 . . . . 0.0 111.234 -173.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.34 165.26 23.45 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 127.145 2.178 . . . . 0.0 112.383 -173.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -73.72 -40.04 1.63 Allowed 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.299 1.999 . . . . 0.0 111.992 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.39 -34.19 61.07 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 118.771 -0.633 . . . . 0.0 112.264 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . 0.437 ' OD2' ' HE3' ' C' ' 127' ' ' LYS . 0.6 OUTLIER -61.09 -44.57 97.16 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.898 1.226 . . . . 0.0 110.713 178.011 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -51.6 -50.87 59.37 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.939 0.895 . . . . 0.0 112.381 173.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 53.4 m -54.84 -44.38 73.87 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.234 0.925 . . . . 0.0 111.533 178.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -72.43 -33.18 66.91 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.56 -51.23 70.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 119.206 0.912 . . . . 0.0 110.486 169.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -60.71 -41.62 95.6 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.875 0.87 . . . . 0.0 111.042 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.34 -54.18 49.66 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.382 0.673 . . . . 0.0 111.474 172.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.79 -54.03 47.46 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.576 0.625 . . . . 0.0 111.996 176.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -65.62 -25.03 67.2 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -178.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.98 -36.7 93.81 Favored Glycine 0 CA--C 1.535 1.282 0 O-C-N 121.177 -0.952 . . . . 0.0 113.208 169.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -77.08 -32.47 56.76 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 118.095 0.948 . . . . 0.0 111.829 172.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.19 -50.94 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.214 1.006 . . . . 0.0 111.318 173.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.55 -134.65 6.72 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 123.742 0.687 . . . . 0.0 113.798 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.91 -19.42 64.2 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -70.43 -6.54 36.5 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.114 -0.991 . . . . 0.0 113.58 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.54 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -40.05 -56.4 1.87 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.496 1.518 . . . . 0.0 112.986 175.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.95 -33.62 87.73 Favored Glycine 0 N--CA 1.468 0.825 0 O-C-N 121.71 -0.619 . . . . 0.0 114.226 -178.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.31 -47.64 85.01 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.477 1.111 . . . . 0.0 109.628 173.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -67.53 -37.6 82.98 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 122.973 0.509 . . . . 0.0 112.057 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.11 -49.02 82.81 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-N 118.662 0.665 . . . . 0.0 112.669 171.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.96 -49.82 75.9 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.118 0.959 . . . . 0.0 111.214 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -57.47 -37.33 72.71 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 173.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' C' ' 104' ' ' CYS . . . -67.83 -37.27 81.71 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.177 0.899 . . . . 0.0 113.002 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.34 -46.3 89.31 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.192 0.997 . . . . 0.0 111.634 170.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.65 -47.88 83.38 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.741 -0.599 . . . . 0.0 112.006 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 71.6 mtt85 -54.49 -46.11 73.38 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 118.153 -0.927 . . . . 0.0 111.711 173.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 63.8 ttp -57.49 -46.57 83.58 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.954 0.797 . . . . 0.0 112.521 177.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.5 -54.09 50.74 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 118.636 0.653 . . . . 0.0 111.008 172.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.75 -40.65 97.24 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.304 0.641 . . . . 0.0 112.131 -173.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 86.4 p -76.55 -29.78 56.82 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.038 1.335 . . . . 0.0 112.942 -176.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.77 76.3 23.78 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.769 1.628 . . . . 0.0 109.316 -172.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.51 -28.42 16.28 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 124.202 3.268 . . . . 0.0 115.317 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -40.64 -44.18 2.08 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.43 1.892 . . . . 0.0 113.44 165.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 64.8 p -64.01 -26.41 68.56 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -54.82 -31.12 58.88 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.649 1.113 . . . . 0.0 112.908 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 1.1 t -58.83 -31.35 68.4 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 175.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' TYR . . . . . 0.425 ' CD1' HG22 ' C' ' 93' ' ' VAL . 29.9 m-85 -80.27 11.79 3.33 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.855 1.262 . . . . 0.0 113.568 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -123.34 63.34 24.31 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 126.625 1.97 . . . . 0.0 110.661 172.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -70.38 -4.61 14.8 Favored 'Trans proline' 0 CA--C 1.547 1.165 0 C-N-CA 123.801 3.0 . . . . 0.0 114.544 -176.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.75 21.99 1.62 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.267 1.827 . . . . 0.0 113.893 -170.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -128.94 109.14 10.99 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.758 1.223 . . . . 0.0 110.328 -168.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -73.9 113.48 11.11 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.666 -0.646 . . . . 0.0 111.211 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 21.7 mt -89.08 34.93 0.79 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.975 0.91 . . . . 0.0 112.347 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 19.9 m -53.31 150.98 5.72 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.446 1.498 . . . . 0.0 112.22 174.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -58.25 125.03 21.48 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.217 -0.927 . . . . 0.0 111.064 176.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.71 20.53 78.66 Favored Glycine 0 CA--C 1.54 1.621 0 CA-C-O 118.772 -1.016 . . . . 0.0 115.092 -177.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.55 117.26 2.33 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.047 1.423 . . . . 0.0 114.206 -175.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.38 -35.94 68.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.482 1.113 . . . . 0.0 113.037 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -63.2 -38.31 90.65 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 173.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 96.2 t -70.56 -42.79 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 CA-C-N 119.721 1.146 . . . . 0.0 110.797 176.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -60.86 -47.68 85.25 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.882 0.873 . . . . 0.0 111.483 175.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.95 -57.51 19.33 Favored Glycine 0 C--O 1.223 -0.589 0 C-N-CA 125.244 1.402 . . . . 0.0 111.897 173.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -52.33 -43.68 64.72 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.681 1.24 . . . . 0.0 112.278 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.4 -49.29 39.19 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 123.987 0.803 . . . . 0.0 114.102 170.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -55.85 -44.85 78.42 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.418 1.109 . . . . 0.0 111.916 172.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . 0.427 ' HB3' HMA3 ' C' ' 201' ' ' HEC . 50.9 mttt -62.9 -51.98 64.83 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.058 0.845 . . . . 0.0 111.652 178.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 94.9 t -53.18 -47.76 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.041 0.936 . . . . 0.0 110.691 175.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . 0.54 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -73.25 -34.5 65.89 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -176.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -65.47 -36.59 84.33 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.12 -0.988 . . . . 0.0 111.612 170.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.18 70.4 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.119 -0.988 . . . . 0.0 112.708 168.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.26 -45.68 90.35 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 120.67 -1.269 . . . . 0.0 111.239 166.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 53.3 m -55.51 -46.05 77.04 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.219 1.372 . . . . 0.0 112.524 169.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -27.73 66.13 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.977 -1.077 . . . . 0.0 112.805 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.67 -56.37 16.27 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 117.35 -1.309 . . . . 0.0 110.469 160.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 92.9 t -48.62 -39.29 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 CA-C-N 121.396 1.907 . . . . 0.0 112.693 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.57 -24.68 66.39 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 175.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -145.45 42.0 1.25 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.005 1.722 . . . . 0.0 112.957 -169.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 7.5 p -87.27 -45.75 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 O-C-N 120.099 -1.625 . . . . 0.0 115.024 -161.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -80.37 -8.3 59.45 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-N 120.719 1.6 . . . . 0.0 111.669 174.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -118.7 1.94 11.64 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.402 -1.436 . . . . 0.0 113.556 -171.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 1.6 mtt -26.16 87.52 0.04 OUTLIER Pre-proline 0 N--CA 1.483 1.183 0 C-N-CA 128.304 2.642 . . . . 0.0 115.594 -167.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -90.91 47.31 0.67 Allowed 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.521 2.814 . . . . 0.0 111.607 -165.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . 0.342 0.0 OUTLIER 74.58 16.07 3.24 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 126.921 2.088 . . . . 0.0 114.397 -164.061 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.97 -16.69 60.42 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 116.173 1.916 . . . . 0.0 116.173 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 64.1 mt -101.52 4.22 40.89 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.614 1.097 . . . . 0.0 112.49 170.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 35.9 t -59.45 -36.95 76.9 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.735 -1.228 . . . . 0.0 113.662 -174.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.67 -28.07 63.43 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.156 0.889 . . . . 0.0 112.674 172.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mt -85.13 -43.12 14.13 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.841 1.257 . . . . 0.0 110.385 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -55.64 -38.54 69.66 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.844 -0.598 . . . . 0.0 111.528 169.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -64.62 -48.0 76.5 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.031 1.333 . . . . 0.0 112.66 171.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.29 -45.38 72.5 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.464 1.029 . . . . 0.0 110.334 175.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -69.28 -62.18 1.49 Allowed 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 121.655 -0.653 . . . . 0.0 110.361 178.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.64 -28.36 65.61 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -173.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -109.1 3.89 22.46 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.236 1.014 . . . . 0.0 113.03 -174.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -142.2 -36.04 0.42 Allowed 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -176.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.85 -48.35 0.33 Allowed 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -173.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 33.4 ttt85 52.61 49.8 19.57 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 127.549 2.339 . . . . 0.0 114.974 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . 0.425 HG22 ' CD1' ' C' ' 42' ' ' TYR . 6.3 t -59.35 148.42 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 123.49 0.716 . . . . 0.0 112.143 175.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . 0.489 ' HB2' HG12 ' C' ' 96' ' ' VAL . 0.0 OUTLIER -64.18 139.61 97.73 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 123.927 0.891 . . . . 0.0 111.591 175.463 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -52.17 -13.04 1.73 Allowed 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 124.108 3.205 . . . . 0.0 115.547 170.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 96' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' C' ' 94' ' ' ASP . 9.2 p -51.35 -45.5 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 120.722 1.601 . . . . 0.0 111.962 168.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . 0.422 ' CB ' HMC1 ' C' ' 201' ' ' HEC . 3.2 m120 -58.97 -38.01 78.11 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.382 -0.824 . . . . 0.0 111.004 174.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . 0.453 ' CG ' ' HB3' ' C' ' 133' ' ' SER . 12.3 t80 -60.15 -51.25 70.42 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.826 173.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -57.24 -32.26 66.37 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 119.385 0.993 . . . . 0.0 112.152 -177.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 56.9 mt -70.98 -57.36 4.63 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.216 1.006 . . . . 0.0 109.864 175.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 tp -51.2 -44.51 61.61 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.632 1.573 . . . . 0.0 112.729 176.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 88.4 p -66.1 -44.7 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.377 -0.827 . . . . 0.0 112.769 -178.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -38.87 88.88 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.691 -0.63 . . . . 0.0 111.181 170.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 104' ' ' CYS . . . . . 0.428 ' HB3' ' HA ' ' C' ' 28' ' ' ALA . 76.3 m -64.28 -38.65 91.79 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.599 -0.688 . . . . 0.0 111.2 179.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 49.2 mt -63.16 -50.37 70.65 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 124.248 1.019 . . . . 0.0 111.551 172.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 10.4 mt -49.07 -47.45 44.98 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.476 1.034 . . . . 0.0 110.754 173.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.31 -48.35 67.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 123.412 0.685 . . . . 0.0 112.515 173.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -38.57 88.04 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.222 1.374 . . . . 0.0 112.384 177.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mt -59.29 -44.02 92.53 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.873 0.761 . . . . 0.0 109.904 176.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.76 -35.65 68.88 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.52 -0.737 . . . . 0.0 112.889 175.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.3 -7.05 11.49 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -137.82 -31.04 0.8 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -173.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 9.4 mp -76.2 170.45 15.96 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 124.808 1.243 . . . . 0.0 109.926 168.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -75.08 -128.55 0.01 OUTLIER 'Trans proline' 0 CA--C 1.545 1.038 0 C-N-CA 122.698 2.266 . . . . 0.0 108.908 164.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.47 61.06 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.274 1.43 . . . . 0.0 113.825 172.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -17.32 1.22 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 119.471 -2.018 . . . . 0.0 114.608 175.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 117' ' ' PHE . . . . . 0.402 ' CE2' ' HA ' ' D' ' 113' ' ' VAL . 0.2 OUTLIER -97.17 28.59 3.53 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.176 2.19 . . . . 0.0 112.852 179.404 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.58 170.76 1.24 Allowed Pre-proline 0 N--CA 1.496 1.869 0 O-C-N 119.103 -2.248 . . . . 0.0 111.145 168.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -56.84 -50.78 10.58 Favored 'Trans proline' 0 C--N 1.347 0.477 0 CA-C-N 122.635 1.977 . . . . 0.0 111.644 167.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.45 77.94 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 4.8 t -96.91 -37.97 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 119.6 1.091 . . . . 0.0 112.783 -176.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -69.75 -49.43 53.2 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.49 1.495 . . . . 0.0 111.461 176.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.14 -50.56 73.06 Favored 'General case' 0 C--N 1.345 0.403 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 10.2 t -48.68 -60.95 2.31 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 118.157 -0.925 . . . . 0.0 112.845 174.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 82.0 mt -65.9 -41.44 91.46 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.786 1.175 . . . . 0.0 112.269 -173.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.97 -50.31 72.61 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.473 1.033 . . . . 0.0 111.963 176.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 127' ' ' LYS . . . . . 0.437 ' HE3' ' OD2' ' C' ' 6' ' ' ASP . 0.0 OUTLIER -71.61 -31.32 66.78 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 178.82 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -60.36 -56.81 16.94 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.744 1.217 . . . . 0.0 109.879 171.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.36 -37.61 81.25 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.702 177.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.44 -38.2 74.04 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 120.58 1.536 . . . . 0.0 114.164 170.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 16.3 m -70.89 -37.14 72.99 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.261 -1.524 . . . . 0.0 112.804 170.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 95.2 t -57.41 -49.4 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 117.116 -1.421 . . . . 0.0 109.578 171.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 133' ' ' SER . . . . . 0.453 ' HB3' ' CG ' ' C' ' 98' ' ' PHE . 1.4 p -60.27 -43.81 95.86 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 121.04 1.745 . . . . 0.0 113.329 174.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 43.2 m -50.72 -48.62 58.83 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.922 1.237 . . . . 0.0 110.917 174.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 63.6 t -78.86 -26.4 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -177.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -3.24 30.37 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 120.342 -1.474 . . . . 0.0 113.279 168.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 82.4 m -123.43 -17.69 6.44 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.366 1.466 . . . . 0.0 112.498 -176.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 35.4 p -63.99 136.66 57.51 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.828 -1.17 . . . . 0.0 112.648 173.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -74.21 138.31 43.63 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.927 0.891 . . . . 0.0 110.458 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 54.2 -45.61 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 129.534 3.134 . . . . 0.0 118.251 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 . . . . . 0 C--O 1.25 1.113 0 C-N-CA 126.507 1.923 . . . . 0.0 110.762 173.506 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . 0.429 HG11 HD22 ' D' ' 78' ' ' LEU 0.308 1.4 p . . . . . 0 N--CA 1.515 2.79 0 CA-C-O 117.618 -1.182 . . . . 0.0 112.723 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 36.02 67.31 0.31 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 127.033 2.133 . . . . 0.0 114.66 172.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.23 162.39 4.6 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.375 0.67 . . . . 0.0 112.496 -173.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.87 151.22 85.8 Favored Pre-proline 0 N--CA 1.481 1.077 0 CA-C-O 118.545 -0.741 . . . . 0.0 109.582 166.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -52.77 -35.68 70.23 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.729 2.286 . . . . 0.0 114.537 172.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -73.4 -42.54 61.97 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.584 -0.698 . . . . 0.0 112.378 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -63.49 -44.92 92.98 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.431 -0.793 . . . . 0.0 111.541 173.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.78 -51.38 67.62 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.314 1.046 . . . . 0.0 110.665 172.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 40.5 t -51.62 -48.28 63.35 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.582 0.628 . . . . 0.0 111.061 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.26 -56.99 14.88 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 4.0 p -62.86 -49.23 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 120.032 1.287 . . . . 0.0 111.616 -178.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -75.27 -33.28 61.25 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.872 0.76 . . . . 0.0 112.56 -171.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.96 -35.72 78.86 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 120.457 1.48 . . . . 0.0 111.704 172.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -36.37 77.35 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.435 -0.791 . . . . 0.0 111.427 172.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -58.53 -42.81 88.62 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.934 0.894 . . . . 0.0 112.082 167.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.17 -31.71 59.38 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.519 1.533 . . . . 0.0 115.485 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -94.61 -12.55 27.24 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 118.436 1.118 . . . . 0.0 113.503 174.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.34 137.54 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 124.172 0.989 . . . . 0.0 111.889 -168.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -85.11 83.72 7.94 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 175.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 42.5 t -53.69 -33.59 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 O-C-N 120.803 -1.185 . . . . 0.0 113.304 -169.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -38.79 92.25 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.707 1.603 . . . . 0.0 112.772 174.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -107.22 -40.26 5.46 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.329 0.652 . . . . 0.0 111.576 -166.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.24 -33.54 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 119.332 0.969 . . . . 0.0 110.723 162.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.16 -48.01 7.17 Favored Glycine 0 C--N 1.343 0.959 0 O-C-N 121.513 -0.742 . . . . 0.0 111.292 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.02 -43.35 95.09 Favored Glycine 0 C--N 1.338 0.669 0 CA-C-N 117.758 0.779 . . . . 0.0 112.564 171.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . 0.566 ' HB2' HH11 ' D' ' 30' ' ' ARG . 4.3 pt-20 -71.76 -43.64 65.41 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-O 116.743 -1.598 . . . . 0.0 112.1 175.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.79 -44.97 96.14 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 122.588 2.449 . . . . 0.0 112.084 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 31.3 tp -68.17 -45.36 73.68 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.81 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.15 -44.41 93.16 Favored Glycine 0 N--CA 1.466 0.672 0 O-C-N 120.87 -1.143 . . . . 0.0 111.593 171.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 30' ' ' ARG . . . . . 0.566 HH11 ' HB2' ' D' ' 26' ' ' GLU . 0.6 OUTLIER -63.23 -21.8 66.46 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 116.793 -1.575 . . . . 0.0 113.991 177.139 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.64 -55.27 18.4 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 120.882 1.674 . . . . 0.0 110.475 160.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.86 -31.76 72.58 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.494 -0.754 . . . . 0.0 111.993 -172.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 33' ' ' VAL . . . . . 0.518 HG22 ' HA ' ' D' ' 30' ' ' ARG . 12.2 m -68.27 -20.07 25.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 178.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 t -63.36 -4.1 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 CA-C-N 120.761 1.618 . . . . 0.0 112.095 176.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 45.57 45.4 2.31 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 126.187 1.795 . . . . 0.0 111.729 -161.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -76.17 167.5 25.8 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 N-CA-C 109.192 -1.119 . . . . 0.0 109.192 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -51.83 -23.06 4.25 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 168.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 3.2 p -57.56 -23.64 51.74 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 120.723 -1.236 . . . . 0.0 112.538 171.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -55.54 -19.23 9.28 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.796 1.238 . . . . 0.0 113.348 174.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . 0.417 ' HD3' ' CD2' ' D' ' 41' ' ' PHE . 0.0 OUTLIER -51.18 -39.99 57.64 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 121.268 1.849 . . . . 0.0 112.742 167.53 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 41' ' ' PHE . . . . . 0.417 ' CD2' ' HD3' ' D' ' 40' ' ' ARG . 67.3 m-85 -88.95 6.56 38.9 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.436 1.095 . . . . 0.0 113.472 -178.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.14 -27.04 5.16 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 176.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -50.61 -18.17 0.64 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.618 2.767 . . . . 0.0 116.367 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 30.7 p -109.24 -3.03 17.53 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.756 1.623 . . . . 0.0 114.161 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . 0.484 ' HZ ' HBC3 ' D' ' 201' ' ' HEC . 29.6 m-85 -96.76 -17.17 20.45 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -171.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.16 150.78 0.57 Allowed Glycine 0 CA--C 1.537 1.429 0 CA-C-N 119.329 0.968 . . . . 0.0 114.611 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 12.7 t0 37.51 -82.62 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 128.963 2.905 . . . . 0.0 115.834 -173.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 42.81 -12.25 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.251 1 C-N-CA 132.513 4.325 . . . . 0.0 121.588 176.398 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 21.9 t -57.99 -17.29 16.34 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.21 1.804 . . . . 0.0 114.635 -171.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 50' ' ' THR . . . . . 0.4 ' HB ' ' HD2' ' D' ' 51' ' ' PRO . 2.1 p -136.86 166.25 28.78 Favored Pre-proline 0 N--CA 1.471 0.611 0 C-N-CA 126.742 2.017 . . . . 0.0 109.82 -176.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 51' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' D' ' 50' ' ' THR . 9.8 Cg_endo -59.51 -53.53 3.32 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 121.693 1.596 . . . . 0.0 112.37 174.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.49 -35.91 72.95 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.135 0.974 . . . . 0.0 111.769 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.78 -60.04 4.25 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.296 0.638 . . . . 0.0 111.635 170.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 1.5 p -65.43 -35.27 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 O-C-N 120.552 -1.342 . . . . 0.0 113.53 -171.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 5.9 mtt -77.13 -30.61 55.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.555 0.742 . . . . 0.0 112.867 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.61 -24.13 24.35 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.928 0.775 . . . . 0.0 114.277 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 57' ' ' ASN . . . . . 0.501 HD22 HG23 ' D' ' 60' ' ' VAL . 7.6 t30 -62.16 125.86 86.38 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 124.647 1.179 . . . . 0.0 112.769 -174.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.12 -38.27 37.46 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.16 2.574 . . . . 0.0 113.891 -170.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -61.55 -40.23 93.97 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.216 -0.927 . . . . 0.0 112.394 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 60' ' ' VAL . . . . . 0.501 HG23 HD22 ' D' ' 57' ' ' ASN . 99.5 t -63.36 -38.05 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.658 0.783 . . . . 0.0 110.912 172.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -67.94 -47.79 67.71 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 120.14 1.336 . . . . 0.0 111.901 175.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.71 76.52 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.032 0.933 . . . . 0.0 113.326 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -36.58 80.61 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.796 -1.19 . . . . 0.0 111.055 171.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.06 -48.01 64.64 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 126.179 1.847 . . . . 0.0 113.167 169.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -60.66 -34.44 74.31 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 118.461 -0.78 . . . . 0.0 112.638 171.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -68.99 -50.32 50.01 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.375 0.989 . . . . 0.0 113.079 176.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -52.61 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-N 120.112 1.324 . . . . 0.0 111.118 174.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 tt -72.5 -32.31 66.07 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -177.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.59 -35.89 75.45 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.082 1.325 . . . . 0.0 112.82 170.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.53 -47.21 86.6 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.708 1.254 . . . . 0.0 111.173 166.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . 0.429 ' CE1' HG11 ' D' ' 137' ' ' VAL . 2.0 m-30 -58.98 -34.73 72.16 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 120.459 -1.401 . . . . 0.0 111.645 177.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.77 -44.36 77.66 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.527 1.131 . . . . 0.0 113.593 171.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -34.0 68.4 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.682 0.793 . . . . 0.0 111.456 170.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.25 -63.93 4.6 Favored Glycine 0 C--N 1.338 0.684 0 CA-C-O 118.976 -0.902 . . . . 0.0 111.671 167.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 5.8 mt -51.78 -31.72 28.13 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.018 1.409 . . . . 0.0 114.085 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.22 -25.69 51.92 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.773 1.629 . . . . 0.0 115.13 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -145.94 44.81 1.26 Allowed 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.798 1.639 . . . . 0.0 112.632 -170.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 78' ' ' LEU . . . . . 0.45 HD23 HD21 ' D' ' 81' ' ' LEU . 32.4 mt -57.43 -18.08 16.32 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -178.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -50.47 -40.01 49.64 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.517 1.527 . . . . 0.0 113.791 170.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.0 96.15 2.29 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.032 0.933 . . . . 0.0 112.053 -175.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 81' ' ' LEU . . . . . 0.45 HD21 HD23 ' D' ' 78' ' ' LEU . 28.8 mt -81.27 -45.75 15.79 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -57.0 -23.82 49.03 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 173.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.46 -7.82 64.76 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.504 1.526 . . . . 0.0 115.023 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.65 -19.16 12.59 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 118.937 1.368 . . . . 0.0 112.81 175.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 85' ' ' PHE . . . . . 0.534 ' CE2' HG23 ' D' ' 137' ' ' VAL . 18.6 m-85 -108.44 5.36 25.25 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 177.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.05 -39.45 56.01 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 121.092 1.769 . . . . 0.0 114.97 -173.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 10.1 p -64.69 -35.97 82.77 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.389 1.076 . . . . 0.0 112.981 172.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.88 -41.67 71.03 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 124.533 1.133 . . . . 0.0 110.601 172.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 2.0 m -57.18 -42.23 80.8 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.711 1.141 . . . . 0.0 110.947 172.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -65.91 -44.72 84.39 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.285 -0.884 . . . . 0.0 112.635 172.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 51.3 tp -62.3 -50.76 70.4 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 120.584 -1.322 . . . . 0.0 112.08 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 56.4 m80 -78.99 -8.4 58.88 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -176.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 93' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' D' ' 97' ' ' HIS . 11.3 t -119.45 -66.04 1.11 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.835 0.743 . . . . 0.0 112.744 176.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.3 -36.08 82.93 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.544 -1.348 . . . . 0.0 114.064 -177.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -94.39 -69.23 0.76 Allowed 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 65.2 mt -77.84 -32.92 52.39 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.335 1.054 . . . . 0.0 112.171 -175.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 97' ' ' HIS . . . . . 0.417 ' HA ' ' HA ' ' D' ' 93' ' ' CYS . 0.1 OUTLIER 52.31 21.57 1.73 Allowed 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -176.416 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -45.8 127.9 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.94 1.296 . . . . 0.0 111.137 174.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -68.22 132.58 91.66 Favored Pre-proline 0 CA--C 1.548 0.892 0 CA-C-O 118.705 -0.664 . . . . 0.0 111.918 -173.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -48.11 -24.71 5.84 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 124.951 3.767 . . . . 0.0 118.42 -174.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -51.36 -35.52 38.88 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.934 1.243 . . . . 0.0 112.11 171.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -66.6 -35.23 79.68 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.471 1.508 . . . . 0.0 111.277 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -65.29 -46.55 79.96 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.708 0.803 . . . . 0.0 110.814 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 41.0 mtt85 -62.79 -43.69 98.14 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.715 -0.615 . . . . 0.0 111.75 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 19.5 mt -55.1 -49.77 70.88 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.242 172.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . 0.4 HD13 HBB3 ' D' ' 201' ' ' HEC . 0.7 OUTLIER -58.4 -34.0 70.26 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.378 0.671 . . . . 0.0 112.641 179.499 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 107' ' ' GLY . . . . . 0.405 ' HA3' HG11 ' D' ' 134' ' ' VAL . . . -68.2 -51.55 32.4 Favored Glycine 0 N--CA 1.466 0.686 0 O-C-N 121.309 -0.869 . . . . 0.0 113.864 169.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -63.88 -33.7 76.3 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 122.069 -0.666 . . . . 0.0 112.661 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 15.8 m -68.03 -42.03 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 117.776 -1.107 . . . . 0.0 112.481 169.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . 42.2 tp -59.91 -49.13 78.88 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 121.214 1.825 . . . . 0.0 111.329 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 33.6 m -59.01 -34.86 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 118.629 0.649 . . . . 0.0 111.917 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 8.0 t -64.41 -41.06 96.84 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.648 0.658 . . . . 0.0 112.762 171.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 113' ' ' VAL . . . . . 0.402 ' HA ' ' CE2' ' C' ' 117' ' ' PHE 0.265 1.5 m -72.46 -38.36 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 120.271 1.396 . . . . 0.0 112.977 -179.608 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 21.6 mt -56.0 -42.91 77.13 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.386 0.674 . . . . 0.0 110.576 170.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.31 -22.43 64.88 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -76.52 -63.68 1.28 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 121.406 1.912 . . . . 0.0 111.359 168.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -63.31 -23.42 67.41 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.951 0.722 . . . . 0.0 112.951 -168.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -125.71 18.79 7.98 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.117 1.367 . . . . 0.0 112.76 -175.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -47.91 -40.83 20.09 Favored Glycine 0 N--CA 1.48 1.592 0 C-N-CA 125.326 1.441 . . . . 0.0 116.378 -172.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -59.19 -16.88 22.99 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 126.0 1.72 . . . . 0.0 114.834 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -134.17 13.35 3.89 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.371 2.268 . . . . 0.0 111.929 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -95.43 59.42 2.16 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.688 1.195 . . . . 0.0 112.163 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 52.6 p -54.93 157.02 6.1 Favored Pre-proline 0 N--CA 1.478 0.966 0 C-N-CA 125.653 1.581 . . . . 0.0 113.393 -172.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -48.35 -46.95 21.47 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 121.882 1.721 . . . . 0.0 114.903 173.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -59.72 -31.24 93.85 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 122.07 1.847 . . . . 0.0 114.863 172.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.36 -40.54 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 121.212 1.824 . . . . 0.0 112.779 -178.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -58.01 -51.62 68.89 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 173.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.98 87.89 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.531 0.733 . . . . 0.0 112.668 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -56.65 -54.24 48.43 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.96 1.304 . . . . 0.0 111.57 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 130' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -53.17 -50.67 64.13 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.699 0.681 . . . . 0.0 112.154 170.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -36.52 72.89 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.797 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -69.77 -38.26 76.66 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.714 1.143 . . . . 0.0 112.924 176.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 22.4 t -59.81 -47.34 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-N 119.664 1.12 . . . . 0.0 110.493 167.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 134' ' ' VAL . . . . . 0.405 HG11 ' HA3' ' D' ' 107' ' ' GLY . 65.2 t -78.67 -26.21 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 121.943 -0.473 . . . . 0.0 112.08 -171.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.81 97.5 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 120.143 -1.598 . . . . 0.0 110.596 167.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.7 -47.39 90.51 Favored Glycine 0 CA--C 1.532 1.099 0 CA-C-O 118.98 -0.9 . . . . 0.0 112.956 169.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 137' ' ' VAL . . . . . 0.534 HG23 ' CE2' ' D' ' 85' ' ' PHE . 0.4 OUTLIER -57.08 -45.94 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 CA-C-N 119.232 1.516 . . . . 0.0 111.867 174.659 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -65.44 -43.67 89.71 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 118.707 0.685 . . . . 0.0 111.413 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.3 -39.3 86.48 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.7 0.8 . . . . 0.0 112.754 172.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.55 -42.49 78.32 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.74 -0.6 . . . . 0.0 112.44 175.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 7.0 mt -62.0 -41.24 97.84 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 120.311 1.414 . . . . 0.0 111.549 172.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.49 -11.51 11.12 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.691 1.196 . . . . 0.0 114.117 171.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -53.6 -35.37 60.79 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 121.403 1.91 . . . . 0.0 114.153 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -76.34 -7.08 54.21 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.83 -21.81 5.47 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 126.546 1.939 . . . . 0.0 113.664 -176.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 . . . . . 0 C--O 1.256 1.43 0 C-N-CA 129.042 2.937 . . . . 0.0 114.778 -174.115 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.555 HBB2 HMB1 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 201' ' ' HEC . . . . . 0.476 HBC3 ' HZ ' ' B' ' 45' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 201' ' ' HEC . . . . . 0.545 HBB2 HMB1 ' C' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 201' ' ' HEC . . . . . 0.484 HBC3 ' HZ ' ' D' ' 45' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . 0.277 9.2 p . . . . . 0 N--CA 1.511 2.616 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 47.4 mt -111.02 176.03 5.18 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 120.443 1.474 . . . . 0.0 111.926 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -94.24 163.49 23.12 Favored Pre-proline 0 N--CA 1.479 0.977 0 C-N-CA 125.366 1.466 . . . . 0.0 110.708 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -74.89 -43.0 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 121.943 1.762 . . . . 0.0 113.02 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.11 -45.83 72.61 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.763 -0.586 . . . . 0.0 111.972 -175.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -66.21 -32.96 74.7 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 118.449 -0.786 . . . . 0.0 111.668 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -52.93 -53.09 54.59 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.375 0.989 . . . . 0.0 111.633 170.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.3 m -58.09 -40.6 81.53 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.603 0.761 . . . . 0.0 111.332 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -68.15 -34.55 76.54 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 177.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.77 -50.37 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.411 1.005 . . . . 0.0 110.435 167.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -56.61 -47.12 80.32 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 118.973 0.806 . . . . 0.0 111.615 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.55 -48.11 81.97 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.245 1.018 . . . . 0.0 112.064 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.1 -51.99 61.37 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 175.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 17.6 t-105 -64.9 -25.91 68.09 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.137 -0.977 . . . . 0.0 113.29 -177.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.36 -42.21 93.54 Favored Glycine 0 CA--C 1.538 1.518 0 O-C-N 121.175 -0.953 . . . . 0.0 113.21 166.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -69.16 -31.52 70.23 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.121 0.96 . . . . 0.0 112.223 174.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 21' ' ' ALA . 86.0 t -68.93 -14.19 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 125.556 1.542 . . . . 0.0 113.397 176.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.52 134.95 4.13 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 124.907 1.241 . . . . 0.0 114.816 176.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 59.62 -32.16 0.05 Allowed 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 128.665 2.786 . . . . 0.0 116.961 -171.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -78.66 -11.08 59.96 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.757 1.223 . . . . 0.0 114.013 173.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' A' ' 63' ' ' ALA . . . -49.84 -48.87 50.79 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.798 1.239 . . . . 0.0 113.504 -175.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.19 -38.16 91.79 Favored Glycine 0 N--CA 1.472 1.044 0 O-C-N 121.785 -0.572 . . . . 0.0 113.901 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -58.82 -45.61 89.57 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.528 1.131 . . . . 0.0 111.202 171.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -64.99 -39.08 92.93 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.361 -0.837 . . . . 0.0 112.682 174.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.63 -47.61 90.08 Favored Glycine 0 CA--C 1.534 1.242 0 CA-C-N 119.049 0.841 . . . . 0.0 112.716 172.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.61 -47.24 87.09 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.87 0.868 . . . . 0.0 111.615 176.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -59.07 -40.45 85.25 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 121.51 -0.744 . . . . 0.0 112.846 171.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.24 93.69 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.596 1.089 . . . . 0.0 112.136 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.9 mt -63.06 -50.49 70.41 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.256 1.023 . . . . 0.0 111.697 172.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.55 -49.02 79.22 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.53 0.732 . . . . 0.0 112.644 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.8 ttm105 -60.39 -41.16 93.26 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.949 1.3 . . . . 0.0 111.287 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 39.2 ttp -60.2 -49.14 78.79 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.351 0.978 . . . . 0.0 112.917 170.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.78 -38.96 76.36 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.974 -0.454 . . . . 0.0 112.144 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.7 mt -75.5 -41.56 54.97 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.715 0.806 . . . . 0.0 112.683 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.0 p -75.14 -22.72 57.96 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -174.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -139.41 73.39 36.43 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.899 1.28 . . . . 0.0 109.914 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -48.9 -27.72 12.01 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 124.84 3.693 . . . . 0.0 115.441 -174.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -35.48 -45.88 0.36 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 128.038 2.535 . . . . 0.0 113.445 166.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.3 p -60.05 -27.37 66.88 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.477 1.511 . . . . 0.0 114.866 -177.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -60.22 -24.51 64.89 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.315 0.962 . . . . 0.0 113.239 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -57.62 -28.18 63.44 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -65.56 -21.88 66.64 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.454 -0.779 . . . . 0.0 112.981 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 t80 33.26 57.09 1.53 Allowed Pre-proline 0 CA--C 1.558 1.262 0 C-N-CA 127.938 2.495 . . . . 0.0 114.147 175.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -81.04 51.56 3.99 Favored 'Trans proline' 0 CA--C 1.549 1.229 0 C-N-CA 124.797 3.664 . . . . 0.0 113.718 -157.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.265 31.2 p80 46.38 31.56 1.31 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 127.107 2.163 . . . . 0.0 114.729 -169.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -90.55 152.39 20.93 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.671 1.188 . . . . 0.0 111.04 168.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -121.08 109.44 15.04 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.149 1.38 . . . . 0.0 108.63 168.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.6 mt -76.96 31.27 0.13 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.1 1.36 . . . . 0.0 112.975 -176.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.8 t -62.38 152.9 32.79 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.302 1.441 . . . . 0.0 112.015 177.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -56.57 116.48 3.14 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.736 0.814 . . . . 0.0 111.421 176.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.69 12.74 79.53 Favored Glycine 0 CA--C 1.539 1.559 0 CA-C-O 118.83 -0.983 . . . . 0.0 115.397 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.4 t -51.61 116.45 2.11 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.113 1.456 . . . . 0.0 114.071 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.44 -27.04 68.27 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.11 -45.09 87.83 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.934 0.788 . . . . 0.0 111.833 174.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.81 -42.45 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.668 0.787 . . . . 0.0 111.254 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.73 -47.88 81.66 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.178 0.591 . . . . 0.0 111.743 175.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.86 -50.88 59.95 Favored Glycine 0 N--CA 1.468 0.768 0 C-N-CA 124.764 1.173 . . . . 0.0 112.409 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -59.39 -39.49 83.54 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.445 1.122 . . . . 0.0 112.054 174.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.33 -51.81 48.65 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 121.293 -0.879 . . . . 0.0 113.306 168.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -57.3 -41.76 80.46 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.401 1.08 . . . . 0.0 113.013 172.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -63.0 -51.94 64.9 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.948 1.249 . . . . 0.0 112.469 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 77.0 t -56.02 -44.58 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-N 119.361 0.982 . . . . 0.0 110.923 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' A' ' 21' ' ' ALA . . . -64.59 -46.14 83.98 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 177.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.88 -36.05 83.09 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.163 -0.961 . . . . 0.0 111.875 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.464 ' HB2' HMA1 ' A' ' 201' ' ' HEC . . . -63.17 -37.92 89.11 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 169.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.97 -42.56 97.22 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 118.958 0.799 . . . . 0.0 112.069 168.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 57.1 m -58.68 -45.59 89.1 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.515 1.507 . . . . 0.0 111.788 172.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -57.96 -42.35 84.8 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.771 1.228 . . . . 0.0 112.497 172.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.93 -53.73 55.08 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.612 0.642 . . . . 0.0 111.328 171.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.9 t -56.7 -39.98 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.174 0.99 . . . . 0.0 111.993 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.06 -18.45 65.35 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -138.93 25.07 2.55 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.053 1.341 . . . . 0.0 112.313 -173.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.3 p -63.15 -23.42 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 -151.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.75 -4.38 57.7 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 174.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -124.02 2.32 8.65 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.769 2.428 . . . . 0.0 112.544 176.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.1 ptt? -54.67 -22.94 0.82 Allowed Pre-proline 0 CA--C 1.542 0.658 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 175.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -46.52 -23.38 2.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 C-N-CA 123.236 2.624 . . . . 0.0 116.276 163.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -103.41 -42.43 5.71 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.611 1.096 . . . . 0.0 112.48 167.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.54 -11.05 21.23 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 88.1 mt -109.35 7.77 25.23 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.042 1.337 . . . . 0.0 113.537 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 94.9 p -56.03 -33.61 65.09 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -175.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.79 -17.54 49.95 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 174.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.2 mt -106.13 -39.44 5.96 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.233 1.013 . . . . 0.0 111.357 -169.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.8 p -55.82 -43.61 77.12 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.936 -0.554 . . . . 0.0 110.283 157.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -56.98 -52.77 63.93 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 171.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.1 pp -60.94 -37.29 81.82 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.987 1.267 . . . . 0.0 112.832 -175.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -72.37 -47.33 50.27 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.592 1.087 . . . . 0.0 111.264 173.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.82 -32.2 70.43 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -116.02 12.3 15.61 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -173.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -145.17 -28.71 0.46 Allowed 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 116.747 2.129 . . . . 0.0 116.747 176.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 70.0 mt -139.49 -25.88 0.83 Allowed 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 117.061 2.245 . . . . 0.0 117.061 -166.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 27.71 42.78 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 130.392 3.477 . . . . 0.0 117.431 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 76.4 t -69.56 138.89 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 O-C-N 120.948 -1.095 . . . . 0.0 110.522 173.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.85 161.26 78.81 Favored Pre-proline 0 CA--C 1.556 1.208 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.34 -14.67 4.71 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 124.514 3.476 . . . . 0.0 118.761 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.2 p -55.45 -38.5 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 122.079 2.218 . . . . 0.0 112.415 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -65.34 -29.97 70.77 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.418 ' CD1' ' HB3' ' A' ' 133' ' ' SER . 0.0 OUTLIER -59.42 -57.51 12.65 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.828 1.195 . . . . 0.0 109.126 168.525 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -54.2 -48.92 70.46 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.139 0.576 . . . . 0.0 109.971 -172.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 56.9 mt -56.95 -61.11 2.67 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.36 1.064 . . . . 0.0 111.81 175.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.423 HD11 HBB3 ' A' ' 201' ' ' HEC . 0.2 OUTLIER -63.31 -35.68 81.18 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.602 1.092 . . . . 0.0 111.625 -174.159 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.1 m -65.39 -44.16 88.38 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.818 1.19 . . . . 0.0 113.165 174.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -57.78 -46.8 84.06 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.252 -0.905 . . . . 0.0 110.564 170.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 99.3 m -63.68 -33.77 76.37 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 178.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.3 mt -64.88 -54.17 35.13 Favored 'General case' 0 C--O 1.22 -0.453 0 C-N-CA 124.589 1.156 . . . . 0.0 111.067 171.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.4 mt -51.66 -44.02 62.89 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.602 0.761 . . . . 0.0 110.781 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.9 t -53.94 -48.09 63.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.53 1.132 . . . . 0.0 112.639 171.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -40.14 95.6 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.557 1.526 . . . . 0.0 113.457 171.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.8 mt -63.99 -43.98 94.03 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.098 0.863 . . . . 0.0 110.073 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.16 -34.79 46.49 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.175 0.99 . . . . 0.0 113.519 171.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.19 -9.84 59.67 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 -174.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -132.98 -31.13 1.31 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -175.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 mp -72.46 171.47 9.77 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 118.855 0.752 . . . . 0.0 109.808 166.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.43 -158.47 0.01 OUTLIER 'Trans proline' 0 CA--C 1.546 1.091 0 C-N-CA 124.153 3.235 . . . . 0.0 113.241 156.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.7 52.57 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.02 1.728 . . . . 0.0 114.511 173.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -6.29 0.11 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.762 2.425 . . . . 0.0 115.643 -178.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -79.77 14.5 1.7 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.565 1.546 . . . . 0.0 113.871 168.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.5 p -54.16 155.87 6.18 Favored Pre-proline 0 N--CA 1.472 0.664 0 CA-C-N 119.383 0.992 . . . . 0.0 111.189 174.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -52.37 -31.56 47.98 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.478 2.119 . . . . 0.0 115.055 168.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.27 -33.33 65.19 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 175.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.1 t -110.7 -29.03 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 O-C-N 121.081 -1.012 . . . . 0.0 112.746 -166.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.37 -53.09 21.2 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 120.501 -1.374 . . . . 0.0 112.603 177.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.88 91.2 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 118.587 0.63 . . . . 0.0 110.539 172.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.6 t -49.2 -61.59 2.0 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.937 0.895 . . . . 0.0 111.943 175.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.05 -40.69 87.16 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.752 0.705 . . . . 0.0 112.717 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.66 -52.96 54.58 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.644 1.111 . . . . 0.0 111.984 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER -69.29 -25.42 64.24 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.319 0.648 . . . . 0.0 112.006 178.499 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -64.75 -54.87 24.67 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.912 1.233 . . . . 0.0 112.222 165.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.95 -37.47 82.48 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.894 1.224 . . . . 0.0 112.324 177.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.39 90.94 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 170.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.8 t -63.54 -42.01 98.42 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 120.384 -1.447 . . . . 0.0 112.318 170.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 66.8 t -58.73 -48.98 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 O-C-N 120.984 -1.073 . . . . 0.0 111.183 174.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.418 ' HB3' ' CD1' ' A' ' 98' ' ' PHE . 84.3 p -69.06 -40.62 78.41 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.338 0.972 . . . . 0.0 113.108 177.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.9 m -47.77 -51.15 23.42 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.001 1.32 . . . . 0.0 110.339 167.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 26.8 t -62.78 -44.76 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 O-C-N 121.438 -0.789 . . . . 0.0 111.586 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -13.64 23.79 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 176.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 2.5 t -115.59 -5.01 12.19 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.928 1.291 . . . . 0.0 113.051 175.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 68.7 m -66.58 178.0 1.41 Allowed 'General case' 0 CA--C 1.547 0.865 0 O-C-N 120.662 -1.274 . . . . 0.0 110.971 149.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm 57.79 23.49 9.68 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.268 1.427 . . . . 0.0 114.494 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -63.86 138.88 58.67 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.581 -0.699 . . . . 0.0 111.037 169.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.254 1.301 0 C-N-CA 129.665 3.186 . . . . 0.0 116.433 -171.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.339 2.6 p . . . . . 0 N--CA 1.513 2.709 0 CA-C-O 116.83 -1.557 . . . . 0.0 112.713 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 7.7 p80 24.7 71.51 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 127.581 2.352 . . . . 0.0 115.969 176.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.24 156.3 15.74 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.706 0.802 . . . . 0.0 111.64 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.6 p -68.12 160.88 72.46 Favored Pre-proline 0 N--CA 1.479 1.014 0 O-C-N 121.724 -0.61 . . . . 0.0 110.542 163.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.52 -40.24 84.54 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 122.571 2.181 . . . . 0.0 113.673 172.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.66 -40.76 72.81 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.273 0.629 . . . . 0.0 112.196 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -60.66 -51.3 69.98 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.675 -0.64 . . . . 0.0 111.01 172.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -57.34 -44.37 84.21 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 118.055 -0.974 . . . . 0.0 111.604 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 34.5 t -55.85 -49.97 71.87 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.651 0.659 . . . . 0.0 111.078 175.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.0 -51.11 71.48 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.446 HG23 ' CE1' ' B' ' 130' ' ' TYR . 2.8 p -66.37 -50.4 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 119.47 1.032 . . . . 0.0 112.108 177.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 27.1 m -67.92 -37.99 82.36 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 121.418 -0.801 . . . . 0.0 111.426 -170.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.71 94.24 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.255 0.934 . . . . 0.0 112.582 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.25 -40.68 77.73 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.695 -0.628 . . . . 0.0 111.055 175.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -37.38 72.32 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.794 -1.191 . . . . 0.0 112.924 168.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.53 -30.04 70.92 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.797 1.189 . . . . 0.0 114.994 175.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -100.51 -10.54 20.96 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 176.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.47 141.16 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 124.213 1.005 . . . . 0.0 112.424 -176.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -88.87 79.41 7.37 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.049 0.94 . . . . 0.0 109.772 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 89.1 t -48.1 -45.13 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 125.129 1.372 . . . . 0.0 114.616 -166.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.45 -54.62 43.38 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.903 0.881 . . . . 0.0 112.349 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -68.6 -54.91 13.57 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.521 0.728 . . . . 0.0 111.311 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.02 -33.42 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 O-C-N 121.514 -0.741 . . . . 0.0 112.696 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.0 -43.04 50.28 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.566 -0.574 . . . . 0.0 111.811 175.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.78 -45.83 94.91 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-N 118.05 0.925 . . . . 0.0 112.465 173.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -44.9 91.68 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 117.936 0.868 . . . . 0.0 111.028 172.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.22 -51.01 70.75 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 120.144 1.338 . . . . 0.0 112.709 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 tp -68.43 -35.72 78.03 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.569 -0.707 . . . . 0.0 111.825 -178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.25 -54.69 32.63 Favored Glycine 0 C--N 1.338 0.668 0 CA-C-N 119.391 0.996 . . . . 0.0 111.493 170.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.552 ' CD ' HG22 ' B' ' 113' ' ' VAL . 5.0 mtt-85 -45.42 -41.39 9.22 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 125.167 1.387 . . . . 0.0 113.648 175.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 31.7 tp -49.17 -52.76 24.61 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 124.022 0.826 . . . . 0.0 110.797 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.433 HD22 ' H ' ' B' ' 32' ' ' LEU . 0.6 OUTLIER -72.55 -32.73 66.3 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.278 179.824 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' B' ' 30' ' ' ARG . 0.8 OUTLIER -69.05 -9.1 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 178.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.44 -7.6 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-N 119.613 1.097 . . . . 0.0 112.997 166.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 10.3 t80 51.44 49.75 7.57 Favored Pre-proline 0 CA--C 1.561 1.379 0 O-C-N 120.466 -1.396 . . . . 0.0 113.915 -165.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -84.64 164.88 12.21 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.85 2.367 . . . . 0.0 113.182 -177.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -58.4 -30.24 66.69 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 165.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 64.6 p -56.6 -27.34 57.92 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 120.99 -1.069 . . . . 0.0 113.25 176.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -7.22 20.35 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 178.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -54.15 -24.74 19.12 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 121.463 1.938 . . . . 0.0 114.564 175.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -93.68 4.46 53.9 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 176.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.08 -18.84 1.59 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.83 -30.3 63.63 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.584 1.154 . . . . 0.0 113.629 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 80.8 p -79.69 -12.55 59.8 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -82.95 -15.4 51.44 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 120.992 -1.068 . . . . 0.0 111.873 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.82 25.63 74.11 Favored Glycine 0 N--CA 1.477 1.37 0 C-N-CA 125.397 1.475 . . . . 0.0 116.385 161.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -155.16 -119.33 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.247 1.019 . . . . 0.0 110.91 -164.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . 0.271 0.0 OUTLIER 51.64 3.52 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 130.513 3.525 . . . . 0.0 118.893 166.793 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 59.4 p -64.14 -17.92 63.93 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.345 1.458 . . . . 0.0 114.235 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 23.6 p -138.66 157.35 72.18 Favored Pre-proline 0 N--CA 1.473 0.698 0 C-N-CA 125.173 1.389 . . . . 0.0 111.437 172.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -63.94 -37.57 43.11 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.951 2.434 . . . . 0.0 113.989 177.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -71.33 -26.79 62.98 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.66 -51.57 26.88 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.622 0.769 . . . . 0.0 112.355 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -60.01 -35.6 62.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -171.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' MET . . . . . . . . . . . . . 27.3 ttm -83.72 -6.43 59.43 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.98 -20.67 5.19 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 125.14 1.352 . . . . 0.0 114.802 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -51.5 119.34 12.87 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 126.235 1.814 . . . . 0.0 113.067 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -47.09 -40.0 26.21 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 124.307 3.338 . . . . 0.0 115.308 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.88 -38.46 86.35 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.653 1.115 . . . . 0.0 112.556 178.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 85.1 t -69.53 -37.72 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 118.915 0.779 . . . . 0.0 111.253 173.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -61.46 -49.29 77.38 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.395 0.998 . . . . 0.0 112.024 171.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.42 -52.13 62.87 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.663 1.185 . . . . 0.0 112.717 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -34.03 72.27 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 120.89 -1.131 . . . . 0.0 111.324 173.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.12 -47.13 91.18 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.716 1.627 . . . . 0.0 113.957 169.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -57.76 -46.2 84.87 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 118.341 1.07 . . . . 0.0 111.003 169.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.72 -52.58 64.85 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.582 0.753 . . . . 0.0 112.619 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 p -58.31 -45.47 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-N 119.558 1.072 . . . . 0.0 112.019 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 tt -63.76 -40.21 96.14 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.78 -0.575 . . . . 0.0 111.681 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.01 -34.6 72.98 Favored Glycine 0 N--CA 1.473 1.101 0 C-N-CA 125.556 1.55 . . . . 0.0 114.926 177.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.17 -44.67 83.39 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.086 -1.244 . . . . 0.0 111.709 167.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.504 ' CE2' HD23 ' B' ' 110' ' ' LEU . 1.8 m-85 -62.91 -41.49 99.47 Favored 'General case' 0 CA--C 1.553 1.06 0 O-C-N 120.677 -1.265 . . . . 0.0 111.759 178.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.0 p -68.77 -39.04 80.42 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 120.761 -1.212 . . . . 0.0 113.12 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -58.4 -39.91 80.99 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 119.319 0.963 . . . . 0.0 111.868 169.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.85 -52.39 52.45 Favored Glycine 0 N--CA 1.467 0.744 0 C-N-CA 124.035 0.826 . . . . 0.0 112.132 174.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 32.0 mt -59.31 -8.97 1.92 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -111.74 -6.47 14.31 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.07 1.748 . . . . 0.0 114.262 176.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -138.43 30.02 2.4 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.891 1.677 . . . . 0.0 112.984 -177.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 76.4 mt -56.58 -20.69 22.15 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 -177.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -58.86 -40.75 85.24 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.126 0.97 . . . . 0.0 113.094 175.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -149.02 35.45 0.75 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.807 1.243 . . . . 0.0 113.286 -173.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -48.41 -28.05 3.01 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -54.12 -31.84 53.39 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.698 1.599 . . . . 0.0 113.523 176.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -89.12 -37.15 7.29 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.136 0.874 . . . . 0.0 113.855 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.95 -23.39 67.38 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 118.59 1.195 . . . . 0.0 113.955 -175.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -102.49 4.56 38.78 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -178.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.53 -35.1 52.66 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 120.784 1.629 . . . . 0.0 115.168 -170.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 24.7 p -66.66 -38.04 86.03 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.618 1.167 . . . . 0.0 112.947 173.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 30.0 mt -68.33 -41.46 80.75 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.778 0.831 . . . . 0.0 110.875 171.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -60.1 -38.39 82.82 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.011 0.823 . . . . 0.0 111.786 175.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.83 -49.3 75.46 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.616 -0.677 . . . . 0.0 112.199 171.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 45.8 tp -55.26 -51.18 67.46 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.099 -1.001 . . . . 0.0 111.57 174.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -76.07 -11.26 59.91 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -175.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' CYS . . . . . . . . . . . . . 49.3 t -107.95 -80.87 0.57 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.326 1.05 . . . . 0.0 110.647 171.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -56.99 -20.69 25.36 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -172.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -116.33 -5.26 11.8 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 176.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 96.1 mt -144.07 -37.07 0.33 Allowed 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 -174.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 40.54 25.77 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.265 2.626 . . . . 0.0 116.129 -172.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 3.7 m -58.44 132.06 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.225 1.01 . . . . 0.0 111.93 -176.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.74 146.59 94.46 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 125.212 1.405 . . . . 0.0 113.499 -168.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -49.97 -36.5 44.28 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.842 3.028 . . . . 0.0 116.691 -175.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.96 -28.27 56.3 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.916 0.886 . . . . 0.0 112.893 174.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -69.38 -42.29 75.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.537 1.135 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -61.22 -47.76 84.6 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 122.883 0.473 . . . . 0.0 110.677 171.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -58.8 -41.27 86.32 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.699 0.8 . . . . 0.0 112.226 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.99 -48.29 82.52 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.37 0.668 . . . . 0.0 112.598 174.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.7 tt -61.98 -37.63 85.53 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.25 0.477 . . . . 0.0 111.162 175.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -50.92 -60.84 6.63 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 124.686 1.136 . . . . 0.0 114.162 167.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -50.12 -51.03 46.43 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.185 0.994 . . . . 0.0 111.595 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 48.6 t -57.07 -52.31 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 123.41 0.684 . . . . 0.0 111.963 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.504 HD23 ' CE2' ' B' ' 71' ' ' PHE . 46.3 tp -58.82 -50.38 74.17 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.812 0.845 . . . . 0.0 111.579 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 15.1 m -64.61 -32.41 57.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 118.628 0.649 . . . . 0.0 111.752 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' CYS . . . . . . . . . . . . . 34.5 t -70.31 -29.01 65.63 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.458 -0.776 . . . . 0.0 112.485 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . 0.552 HG22 ' CD ' ' B' ' 30' ' ' ARG . 1.1 t -62.63 -36.96 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 O-C-N 120.705 -1.247 . . . . 0.0 111.025 171.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.81 -40.45 88.06 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.408 0.683 . . . . 0.0 110.033 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.27 -29.27 65.68 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 172.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -74.1 -62.89 1.35 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.665 1.12 . . . . 0.0 113.029 168.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -64.54 -24.0 67.46 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -171.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -126.91 36.46 4.45 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.057 1.743 . . . . 0.0 110.737 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.38 -13.63 23.21 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 125.572 1.558 . . . . 0.0 116.215 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -84.91 -7.75 59.04 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.718 1.207 . . . . 0.0 113.425 169.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -130.06 -4.28 4.48 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.379 1.871 . . . . 0.0 113.57 -170.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.39 40.7 0.08 Allowed 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 127.847 2.459 . . . . 0.0 115.713 -173.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 61.1 p -49.57 145.99 7.51 Favored Pre-proline 0 N--CA 1.477 0.894 0 O-C-N 119.776 -1.827 . . . . 0.0 113.149 -172.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_exo -42.63 -44.3 8.58 Favored 'Trans proline' 0 CA--C 1.548 1.189 0 C-N-CA 123.162 2.575 . . . . 0.0 115.84 174.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.24 -27.05 35.25 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.798 1.665 . . . . 0.0 115.381 173.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.91 -46.71 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 122.358 2.345 . . . . 0.0 112.483 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -63.63 -35.68 81.32 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.944 1.247 . . . . 0.0 111.667 174.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.84 95.55 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.972 0.806 . . . . 0.0 112.665 171.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.6 -47.1 87.72 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.326 0.65 . . . . 0.0 111.401 177.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' TYR . . . . . 0.446 ' CE1' HG23 ' B' ' 11' ' ' VAL . 30.2 m-85 -53.86 -55.47 26.46 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 122.458 0.303 . . . . 0.0 111.747 168.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -56.68 -36.19 69.32 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.807 -1.183 . . . . 0.0 113.233 -176.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -67.48 -38.48 84.47 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 120.189 1.359 . . . . 0.0 114.045 173.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.6 -33.69 50.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 CA-C-N 120.495 1.498 . . . . 0.0 112.429 171.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.44 HG22 ' CE2' ' B' ' 71' ' ' PHE . 47.2 t -68.61 -34.74 66.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-N 119.017 0.826 . . . . 0.0 111.866 175.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.17 -43.48 82.64 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 119.935 -1.728 . . . . 0.0 111.0 167.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.53 -52.58 50.98 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-O 119.636 -0.536 . . . . 0.0 113.222 170.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -42.91 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 118.378 1.089 . . . . 0.0 111.835 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.25 -47.43 79.67 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.883 0.873 . . . . 0.0 111.921 177.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 139' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -62.08 -36.3 81.26 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.3 -44.01 80.3 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.641 0.655 . . . . 0.0 112.441 174.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.49 -39.38 93.3 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.055 1.298 . . . . 0.0 111.896 172.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.97 -4.67 13.89 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 173.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 143' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -57.45 -37.82 73.46 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.126 -1.609 . . . . 0.0 113.557 -176.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -74.27 -4.07 33.91 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 174.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.84 -12.18 15.24 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.746 2.019 . . . . 0.0 113.255 -175.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.259 1.575 0 C-N-CA 127.229 2.212 . . . . 0.0 116.565 -173.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' VAL . . . . . . . . . . . . 0.274 9.4 p . . . . . 0 N--CA 1.511 2.609 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 47.7 mt -110.89 176.06 5.18 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 120.502 1.501 . . . . 0.0 111.999 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 59.6 p -93.92 163.6 23.3 Favored Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 125.296 1.439 . . . . 0.0 110.726 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.84 -43.1 0.45 Allowed 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.036 1.824 . . . . 0.0 112.948 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.03 -45.67 73.33 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.781 -0.575 . . . . 0.0 112.096 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -66.44 -33.01 74.75 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.432 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -52.83 -53.01 54.86 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 119.408 1.003 . . . . 0.0 111.619 170.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 88.0 m -58.27 -39.94 80.56 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.558 0.743 . . . . 0.0 111.09 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -69.47 -34.09 73.84 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 72.6 t -64.14 -50.09 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 119.317 0.962 . . . . 0.0 110.48 167.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -56.48 -47.19 79.75 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 119.226 0.921 . . . . 0.0 111.742 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.58 -48.0 82.4 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.225 1.01 . . . . 0.0 111.908 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.16 -51.86 61.82 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.959 0.504 . . . . 0.0 112.205 175.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -65.36 -25.41 67.57 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.228 -0.92 . . . . 0.0 113.214 -176.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.77 -42.15 94.33 Favored Glycine 0 CA--C 1.537 1.411 0 O-C-N 121.174 -0.954 . . . . 0.0 113.164 167.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -68.97 -31.62 70.62 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 118.138 0.969 . . . . 0.0 112.288 174.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' C' ' 21' ' ' ALA . 77.5 t -68.63 -14.53 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.803 1.641 . . . . 0.0 113.509 176.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.45 135.12 4.01 Favored Glycine 0 CA--C 1.542 1.762 0 C-N-CA 124.837 1.208 . . . . 0.0 114.638 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . 59.44 -32.0 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 128.641 2.776 . . . . 0.0 116.961 -171.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -78.49 -11.25 59.94 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.068 1.347 . . . . 0.0 114.024 172.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.462 ' HB1' ' HB1' ' C' ' 63' ' ' ALA . . . -49.85 -49.02 50.73 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.793 1.237 . . . . 0.0 113.509 -175.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.19 -37.85 91.57 Favored Glycine 0 N--CA 1.474 1.202 0 O-C-N 121.622 -0.674 . . . . 0.0 113.932 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.92 -45.85 89.36 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.515 1.126 . . . . 0.0 111.418 170.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -64.68 -39.24 93.32 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.187 -0.946 . . . . 0.0 112.841 174.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.78 -47.45 90.91 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-N 118.885 0.766 . . . . 0.0 112.594 172.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.8 -47.09 87.91 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.765 0.826 . . . . 0.0 111.678 176.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -59.13 -40.38 85.3 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 171.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.05 93.23 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.63 1.104 . . . . 0.0 112.364 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.8 -50.87 69.3 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.44 1.096 . . . . 0.0 111.672 172.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -60.54 -48.94 79.54 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.368 0.667 . . . . 0.0 112.462 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 ttm105 -60.22 -41.48 93.16 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.899 1.279 . . . . 0.0 111.157 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 39.3 ttp -60.03 -49.18 78.66 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.358 0.981 . . . . 0.0 112.923 171.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -57.75 -39.0 76.33 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.961 -0.462 . . . . 0.0 112.199 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 76.7 mt -75.48 -41.55 55.18 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.585 0.754 . . . . 0.0 112.684 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 70.4 p -75.0 -22.79 58.31 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -174.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -139.68 73.6 34.53 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 125.01 1.324 . . . . 0.0 109.945 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -49.08 -27.62 12.53 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 124.909 3.739 . . . . 0.0 115.405 -174.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -35.39 -45.89 0.35 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 128.095 2.558 . . . . 0.0 113.382 166.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 77.0 p -60.71 -26.93 67.52 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.433 1.493 . . . . 0.0 114.7 -176.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -60.01 -24.62 64.63 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.273 0.942 . . . . 0.0 113.3 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -57.69 -28.09 63.51 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -65.57 -21.85 66.63 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 t80 33.29 56.93 1.53 Allowed Pre-proline 0 CA--C 1.556 1.198 0 C-N-CA 127.796 2.438 . . . . 0.0 114.249 175.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -81.05 51.61 4.01 Favored 'Trans proline' 0 CA--C 1.548 1.209 0 C-N-CA 124.793 3.662 . . . . 0.0 113.758 -157.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' HIS . . . . . . . . . . . . 0.266 31.3 p80 46.4 31.51 1.3 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 127.07 2.148 . . . . 0.0 114.715 -169.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -90.46 152.27 21.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.644 1.178 . . . . 0.0 111.139 168.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -120.92 109.45 15.12 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.243 1.417 . . . . 0.0 108.681 168.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 69.9 mt -76.76 31.23 0.13 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.973 1.309 . . . . 0.0 113.126 -176.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 14.0 t -62.32 153.04 32.11 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.2 1.4 . . . . 0.0 112.04 177.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -56.76 116.5 3.2 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.763 0.825 . . . . 0.0 111.432 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.82 12.67 79.45 Favored Glycine 0 CA--C 1.538 1.481 0 CA-C-O 118.862 -0.965 . . . . 0.0 115.348 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 47.5 t -51.61 116.45 2.11 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.225 1.512 . . . . 0.0 114.124 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -27.11 68.29 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.258 1.023 . . . . 0.0 113.703 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.18 -45.11 88.1 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 119.016 0.826 . . . . 0.0 111.809 175.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 55' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.83 -42.27 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.59 0.756 . . . . 0.0 111.303 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -62.9 -47.81 81.7 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.101 0.56 . . . . 0.0 111.639 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.92 -50.73 61.18 Favored Glycine 0 N--CA 1.467 0.725 0 C-N-CA 124.714 1.149 . . . . 0.0 112.473 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -59.47 -39.62 84.29 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.456 1.128 . . . . 0.0 111.949 174.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.21 -51.83 48.06 Favored Glycine 0 CA--C 1.532 1.126 0 O-C-N 121.347 -0.846 . . . . 0.0 113.323 168.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -57.38 -41.57 80.46 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.3 1.04 . . . . 0.0 113.002 172.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -63.27 -51.86 64.41 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 119.819 1.19 . . . . 0.0 112.409 175.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 77.5 t -55.98 -44.78 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 119.441 1.019 . . . . 0.0 110.934 176.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . 0.462 ' HB1' ' HB1' ' C' ' 21' ' ' ALA . . . -64.07 -46.94 82.09 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 176.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 64' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.28 -35.9 82.34 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.132 -0.98 . . . . 0.0 111.866 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 65' ' ' ALA . . . . . 0.452 ' HB2' HMA1 ' C' ' 201' ' ' HEC . . . -63.4 -38.04 89.62 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 169.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 66' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.55 -42.58 98.37 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.12 0.873 . . . . 0.0 112.308 168.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 67' ' ' THR . . . . . . . . . . . . . 57.3 m -58.72 -45.71 88.98 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 120.36 1.437 . . . . 0.0 111.677 172.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -58.05 -42.16 84.83 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.813 1.245 . . . . 0.0 112.419 172.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.02 -54.05 51.54 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.564 0.62 . . . . 0.0 111.252 171.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -56.44 -40.11 65.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.17 0.988 . . . . 0.0 111.912 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.1 -18.3 65.26 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 72' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -138.97 25.06 2.54 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.935 1.294 . . . . 0.0 112.242 -172.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 1.3 p -63.12 -23.47 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 -151.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.64 -4.35 57.83 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 174.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -124.02 2.45 8.66 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 127.702 2.401 . . . . 0.0 112.63 176.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 76' ' ' MET . . . . . . . . . . . . . 20.0 ptt? -54.53 -23.18 0.87 Allowed Pre-proline 0 CA--C 1.544 0.718 0 N-CA-C 116.602 2.075 . . . . 0.0 116.602 175.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -46.36 -23.59 2.16 Favored 'Trans proline' 0 C--N 1.36 1.153 0 C-N-CA 123.252 2.635 . . . . 0.0 116.238 163.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -103.27 -42.54 5.71 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 119.703 1.138 . . . . 0.0 112.44 168.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.42 -11.21 21.35 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 115.818 1.785 . . . . 0.0 115.818 -176.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 80' ' ' LEU . . . . . . . . . . . . . 88.5 mt -109.38 8.08 25.29 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.884 1.274 . . . . 0.0 113.56 175.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 81' ' ' SER . . . . . . . . . . . . . 95.8 p -56.25 -33.58 65.57 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -175.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.59 -17.68 48.06 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 174.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 83' ' ' LEU . . . . . . . . . . . . . 18.0 mt -105.98 -39.61 5.94 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.366 1.067 . . . . 0.0 111.391 -169.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 2.8 p -55.89 -43.79 77.56 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.989 -0.529 . . . . 0.0 110.091 157.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -56.86 -52.7 64.1 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 171.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 pp -60.91 -37.35 81.96 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.872 1.214 . . . . 0.0 112.767 -175.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 87' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -72.43 -47.28 50.26 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.638 1.108 . . . . 0.0 111.179 173.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.84 -32.45 70.68 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -177.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 89' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -115.82 12.38 15.85 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -173.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 9.8 ttpp -145.17 -28.79 0.45 Allowed 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 176.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 69.9 mt -139.33 -26.09 0.83 Allowed 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 -166.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 27.91 42.69 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 130.362 3.465 . . . . 0.0 117.37 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.41 138.65 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 O-C-N 121.016 -1.053 . . . . 0.0 110.538 172.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.67 161.21 78.63 Favored Pre-proline 0 CA--C 1.557 1.237 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 95' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -53.37 -14.77 4.87 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 124.516 3.477 . . . . 0.0 118.784 -178.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 5.1 p -55.24 -38.5 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 122.126 2.239 . . . . 0.0 112.579 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 97' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -65.42 -29.92 70.67 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 175.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . 0.419 ' CD1' ' HB3' ' C' ' 133' ' ' SER . 0.0 OUTLIER -59.53 -57.49 12.74 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-N 119.774 1.17 . . . . 0.0 109.13 168.514 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -54.04 -49.0 69.95 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.081 0.552 . . . . 0.0 110.075 -172.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 100' ' ' LEU . . . . . . . . . . . . . 57.5 mt -57.36 -60.51 3.53 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.975 0.91 . . . . 0.0 111.945 175.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . 0.423 HD11 HBB3 ' C' ' 201' ' ' HEC . 0.2 OUTLIER -63.56 -35.37 80.26 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.774 1.17 . . . . 0.0 111.801 -174.266 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 58.0 m -65.51 -44.23 87.64 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.648 1.113 . . . . 0.0 113.151 174.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 103' ' ' HIS . . . . . . . . . . . . . 60.0 m170 -57.64 -47.05 83.31 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.285 0.948 . . . . 0.0 110.697 169.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 104' ' ' CYS . . . . . . . . . . . . . 98.5 m -63.36 -34.04 76.85 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 19.8 mt -65.12 -53.51 44.1 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.54 1.136 . . . . 0.0 111.149 171.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 106' ' ' LEU . . . . . . . . . . . . . 61.4 mt -51.87 -44.06 63.54 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.287 1.035 . . . . 0.0 110.64 176.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 107' ' ' VAL . . . . . . . . . . . . . 10.1 t -54.15 -48.23 66.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 124.56 1.144 . . . . 0.0 112.539 171.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -40.68 96.99 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 120.361 1.437 . . . . 0.0 113.263 172.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.73 -43.74 95.62 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.296 0.953 . . . . 0.0 110.184 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.31 -34.77 48.43 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 171.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.89 -10.03 59.68 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -174.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 112' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -132.86 -31.38 1.32 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -174.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 113' ' ' LEU . . . . . . . . . . . . . 10.2 mp -72.33 171.12 10.44 Favored Pre-proline 0 CA--C 1.554 1.125 0 CA-C-N 118.758 0.708 . . . . 0.0 109.894 166.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 114' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.31 -158.32 0.01 OUTLIER 'Trans proline' 0 CA--C 1.548 1.19 0 C-N-CA 124.145 3.23 . . . . 0.0 113.307 156.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.75 52.17 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.072 1.749 . . . . 0.0 114.716 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.16 -6.51 0.1 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 127.92 2.488 . . . . 0.0 115.626 -178.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 117' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -80.07 14.78 1.71 Allowed 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.494 1.518 . . . . 0.0 113.792 168.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 118' ' ' THR . . . . . . . . . . . . . 5.6 p -54.44 156.16 6.36 Favored Pre-proline 0 N--CA 1.468 0.474 0 CA-C-N 119.169 0.895 . . . . 0.0 110.991 174.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 119' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -52.8 -31.43 51.43 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 122.391 2.061 . . . . 0.0 115.082 168.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.21 -33.38 65.34 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 175.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 121' ' ' VAL . . . . . . . . . . . . . 47.2 t -110.82 -28.97 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 121.092 -1.005 . . . . 0.0 112.605 -166.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 122' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.37 -53.2 20.65 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.662 -1.274 . . . . 0.0 112.532 177.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.83 91.08 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 118.797 0.726 . . . . 0.0 110.648 172.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 7.5 t -49.17 -61.85 1.85 Allowed 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.039 0.936 . . . . 0.0 111.961 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 125' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.76 -41.16 88.22 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.754 0.706 . . . . 0.0 112.851 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 126' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.0 -53.91 42.58 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.562 1.074 . . . . 0.0 112.007 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 127' ' ' LYS . . . . . . . . . . . . 0.272 0.0 OUTLIER -68.39 -25.55 65.11 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.324 0.65 . . . . 0.0 112.405 177.82 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 128' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -64.9 -54.87 23.95 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.868 1.213 . . . . 0.0 112.054 165.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 129' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.02 -37.3 82.06 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 120.027 1.285 . . . . 0.0 112.351 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.48 -38.48 91.29 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.471 0.708 . . . . 0.0 112.676 170.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 131' ' ' SER . . . . . . . . . . . . . 21.9 t -63.4 -42.14 98.77 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 120.445 -1.409 . . . . 0.0 112.49 169.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 132' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.6 -48.93 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 120.909 -1.12 . . . . 0.0 111.307 174.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 133' ' ' SER . . . . . 0.419 ' HB3' ' CD1' ' C' ' 98' ' ' PHE . 84.9 p -68.9 -40.78 78.96 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.275 0.943 . . . . 0.0 113.121 177.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 134' ' ' THR . . . . . . . . . . . . . 1.9 m -47.71 -51.3 22.45 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.954 1.302 . . . . 0.0 110.313 167.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 135' ' ' VAL . . . . . . . . . . . . . 32.9 t -63.31 -42.16 95.36 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 O-C-N 121.406 -0.809 . . . . 0.0 112.917 175.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.39 -13.48 40.08 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 174.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 137' ' ' THR . . . . . . . . . . . . . 2.4 t -115.35 -5.01 12.31 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.893 1.277 . . . . 0.0 113.185 175.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 138' ' ' SER . . . . . . . . . . . . . 68.5 m -66.56 177.96 1.41 Allowed 'General case' 0 CA--C 1.546 0.799 0 O-C-N 120.606 -1.309 . . . . 0.0 110.962 149.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 139' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm 57.69 23.64 9.69 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 125.33 1.452 . . . . 0.0 114.514 -177.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 140' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -63.86 138.94 58.7 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.54 -0.725 . . . . 0.0 111.024 169.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 141' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.181 0 C-N-CA 129.571 3.148 . . . . 0.0 116.391 -171.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . 0.338 2.6 p . . . . . 0 N--CA 1.514 2.766 0 CA-C-O 116.849 -1.548 . . . . 0.0 112.712 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 2' ' ' HIS . . . . . . . . . . . . . 7.7 p80 24.84 71.39 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 127.452 2.301 . . . . 0.0 115.983 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.07 156.14 15.58 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.803 0.841 . . . . 0.0 111.697 178.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . . . . . . . . . 20.0 p -68.01 160.93 71.72 Favored Pre-proline 0 N--CA 1.477 0.905 0 O-C-N 121.692 -0.63 . . . . 0.0 110.607 163.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 5' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -54.53 -40.25 84.57 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 122.734 2.289 . . . . 0.0 113.646 172.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.67 -40.89 72.71 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.38 0.672 . . . . 0.0 112.252 178.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -60.42 -51.46 69.38 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.729 -0.607 . . . . 0.0 111.032 171.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 15.2 tttm -57.17 -44.47 83.55 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.626 177.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 34.5 t -55.77 -50.1 71.34 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 118.532 0.605 . . . . 0.0 110.995 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.77 -51.28 70.67 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 11' ' ' VAL . . . . . 0.443 HG23 ' CE1' ' D' ' 130' ' ' TYR . 2.6 p -67.73 -47.05 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 119.576 1.08 . . . . 0.0 112.556 178.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 12' ' ' THR . . . . . . . . . . . . . 27.6 m -69.83 -38.43 76.53 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 120.319 -1.488 . . . . 0.0 111.281 -171.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.95 -39.07 92.93 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.008 -1.058 . . . . 0.0 112.268 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.67 -40.58 76.33 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.988 -0.445 . . . . 0.0 110.925 175.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -37.27 72.08 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.031 -1.043 . . . . 0.0 112.971 168.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.65 -29.7 70.48 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.673 1.13 . . . . 0.0 114.995 175.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -100.74 -10.61 20.66 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.38 141.21 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.192 0.997 . . . . 0.0 112.496 -176.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -88.97 79.4 7.3 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.06 0.944 . . . . 0.0 109.677 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 88.1 t -48.05 -45.11 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 125.192 1.397 . . . . 0.0 114.604 -166.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -60.53 -54.88 40.16 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.775 0.83 . . . . 0.0 112.249 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -68.12 -55.1 13.63 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.443 0.697 . . . . 0.0 111.339 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 p -64.99 -33.38 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 O-C-N 121.492 -0.755 . . . . 0.0 112.583 -175.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.02 -42.87 50.65 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-N 118.474 0.579 . . . . 0.0 111.763 175.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.93 -45.54 95.45 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-N 118.031 0.916 . . . . 0.0 112.505 173.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -44.74 92.76 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 117.847 0.824 . . . . 0.0 111.027 172.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.91 -51.41 69.4 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 120.044 1.293 . . . . 0.0 112.688 176.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 tp -68.57 -35.44 77.39 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.641 -0.662 . . . . 0.0 111.892 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.416 ' O ' HG13 ' D' ' 33' ' ' VAL . . . -62.23 -54.6 33.34 Favored Glycine 0 N--CA 1.466 0.671 0 CA-C-N 119.463 1.029 . . . . 0.0 111.463 170.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 30' ' ' ARG . . . . . 0.536 ' CD ' HG22 ' D' ' 113' ' ' VAL . 4.7 mtt-85 -44.75 -44.91 9.63 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.642 1.577 . . . . 0.0 112.0 175.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 32.5 tp -46.38 -53.52 10.8 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.91 0.756 . . . . 0.0 110.563 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . 0.418 ' H ' HD22 ' D' ' 32' ' ' LEU . 0.6 OUTLIER -72.21 -32.84 67.12 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.02 0.827 . . . . 0.0 111.002 -179.528 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 33' ' ' VAL . . . . . 0.416 HG13 ' O ' ' D' ' 29' ' ' GLY . 0.8 OUTLIER -69.08 -9.03 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 178.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.52 -7.44 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-N 119.543 1.065 . . . . 0.0 112.996 166.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 35' ' ' TYR . . . . . . . . . . . . . 10.3 t80 51.31 49.73 7.6 Favored Pre-proline 0 CA--C 1.564 1.511 0 O-C-N 120.48 -1.388 . . . . 0.0 113.878 -165.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 36' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -84.44 164.83 12.59 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.81 2.34 . . . . 0.0 113.191 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 37' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -58.3 -30.22 66.48 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 165.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 38' ' ' THR . . . . . . . . . . . . . 59.7 p -56.58 -27.34 57.68 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 120.843 -1.161 . . . . 0.0 113.184 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -6.97 19.44 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 178.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -54.47 -24.59 20.98 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 121.26 1.845 . . . . 0.0 114.649 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -93.63 4.41 53.99 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.748 1.219 . . . . 0.0 114.041 176.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.35 -18.72 1.72 Allowed 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 116.39 1.996 . . . . 0.0 116.39 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -56.61 -30.48 63.3 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.601 1.16 . . . . 0.0 113.743 177.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 81.0 p -79.66 -12.3 59.82 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 175.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -83.14 -15.43 50.73 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 121.106 -0.996 . . . . 0.0 111.795 177.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.88 25.69 74.15 Favored Glycine 0 N--CA 1.476 1.361 0 C-N-CA 125.391 1.472 . . . . 0.0 116.303 161.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -155.22 -119.26 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 124.249 1.02 . . . . 0.0 110.994 -164.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 48' ' ' LEU . . . . . . . . . . . . 0.267 0.0 OUTLIER 51.52 3.59 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 130.717 3.607 . . . . 0.0 118.826 166.769 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 59.6 p -64.09 -17.73 63.7 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.202 1.401 . . . . 0.0 114.38 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 50' ' ' THR . . . . . . . . . . . . . 22.8 p -138.76 157.27 72.14 Favored Pre-proline 0 N--CA 1.475 0.78 0 C-N-CA 125.195 1.398 . . . . 0.0 111.332 172.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 51' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -63.9 -37.45 44.23 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.922 2.415 . . . . 0.0 114.013 177.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.96 -28.67 64.64 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.29 -51.59 35.75 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.653 0.781 . . . . 0.0 112.378 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.93 -35.57 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -171.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 55' ' ' MET . . . . . . . . . . . . . 27.4 ttm -83.9 -6.27 59.39 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.82 -20.81 5.21 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.093 1.33 . . . . 0.0 114.918 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 57' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -51.35 119.39 12.66 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 126.304 1.842 . . . . 0.0 113.043 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.16 -39.97 26.7 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 124.248 3.299 . . . . 0.0 115.275 174.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.87 -38.44 86.32 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.671 1.123 . . . . 0.0 112.584 178.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 60' ' ' VAL . . . . . . . . . . . . . 85.2 t -69.6 -37.69 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 118.78 0.718 . . . . 0.0 111.3 173.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 61' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -61.41 -49.49 76.65 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.339 0.972 . . . . 0.0 111.957 171.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.39 -51.88 63.97 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.502 1.121 . . . . 0.0 112.846 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -33.79 72.29 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.685 -1.259 . . . . 0.0 111.444 173.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.29 -47.12 91.47 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.799 1.666 . . . . 0.0 113.941 169.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -57.67 -46.19 84.58 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.366 1.083 . . . . 0.0 111.074 169.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.95 -52.34 65.9 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-O 118.454 -0.784 . . . . 0.0 112.668 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 p -58.12 -46.05 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 119.636 1.107 . . . . 0.0 112.116 177.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 tt -63.29 -40.1 96.42 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.587 -0.696 . . . . 0.0 111.768 176.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.44 -37.64 82.97 Favored Glycine 0 N--CA 1.47 0.961 0 C-N-CA 125.672 1.606 . . . . 0.0 113.145 177.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.38 -44.22 92.03 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 117.973 0.886 . . . . 0.0 111.898 169.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 71' ' ' PHE . . . . . 0.503 ' CE2' HD23 ' D' ' 110' ' ' LEU . 1.8 m-85 -63.1 -41.24 99.34 Favored 'General case' 0 CA--C 1.551 0.99 0 O-C-N 120.646 -1.284 . . . . 0.0 111.586 178.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 72' ' ' SER . . . . . . . . . . . . . 78.6 p -69.39 -37.96 77.77 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.931 -1.106 . . . . 0.0 113.336 174.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 73' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -58.43 -40.33 82.26 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.501 1.046 . . . . 0.0 111.552 168.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.95 -52.32 52.96 Favored Glycine 0 C--N 1.339 0.712 0 C-N-CA 124.073 0.844 . . . . 0.0 112.153 174.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 75' ' ' LEU . . . . . . . . . . . . . 32.2 mt -59.11 -9.25 1.9 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.328 1.451 . . . . 0.0 114.91 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -111.49 -6.72 14.39 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.299 1.839 . . . . 0.0 114.382 176.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 77' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -138.34 30.04 2.42 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.702 1.601 . . . . 0.0 112.918 -177.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 78' ' ' LEU . . . . . . . . . . . . . 75.5 mt -56.67 -20.45 21.61 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -177.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 79' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -59.05 -40.63 85.69 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.175 0.99 . . . . 0.0 113.067 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 80' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -149.06 35.44 0.75 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 124.753 1.221 . . . . 0.0 113.289 -173.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -48.39 -28.04 2.97 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -54.17 -31.81 53.75 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.64 1.576 . . . . 0.0 113.495 176.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -89.14 -37.06 7.31 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.15 0.881 . . . . 0.0 113.907 176.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 84' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.99 -23.47 67.46 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 118.576 1.188 . . . . 0.0 113.988 -175.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 85' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -102.41 4.53 38.95 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -177.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.53 -34.96 52.29 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 120.814 1.643 . . . . 0.0 115.23 -170.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 87' ' ' THR . . . . . . . . . . . . . 24.6 p -66.79 -38.09 85.86 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.708 1.203 . . . . 0.0 112.924 173.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 88' ' ' LEU . . . . . . . . . . . . . 29.8 mt -68.31 -41.64 80.58 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.716 0.806 . . . . 0.0 110.918 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 3.5 m -59.72 -38.46 81.74 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.073 0.851 . . . . 0.0 111.906 174.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 90' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -62.94 -49.29 75.33 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.638 -0.664 . . . . 0.0 112.144 171.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 91' ' ' LEU . . . . . . . . . . . . . 45.7 tp -55.26 -51.17 67.52 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.037 -1.04 . . . . 0.0 111.6 174.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 92' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -75.94 -11.43 59.96 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -175.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 93' ' ' CYS . . . . . . . . . . . . . 49.2 t -107.95 -80.73 0.57 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.146 0.978 . . . . 0.0 110.696 171.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 94' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -56.95 -20.65 24.85 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 -172.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 95' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -116.32 -5.25 11.8 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 175.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 96.2 mt -144.19 -37.1 0.32 Allowed 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 40.67 25.76 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.163 2.585 . . . . 0.0 116.217 -172.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 3.6 m -58.54 132.01 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.235 1.014 . . . . 0.0 111.887 -176.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 99' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.56 146.6 93.74 Favored Pre-proline 0 CA--C 1.551 0.981 0 C-N-CA 125.198 1.399 . . . . 0.0 113.532 -168.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 100' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -50.0 -36.53 44.63 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.941 3.094 . . . . 0.0 116.734 -175.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 101' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.9 -27.91 54.22 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.986 0.915 . . . . 0.0 113.001 174.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 102' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -70.22 -41.97 72.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.302 1.041 . . . . 0.0 110.901 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 103' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -61.1 -47.9 84.18 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.172 0.589 . . . . 0.0 110.719 171.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -58.82 -40.82 85.29 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.969 0.908 . . . . 0.0 112.604 178.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 105' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.26 -48.42 81.5 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.593 0.757 . . . . 0.0 112.85 173.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 106' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.01 -37.83 86.33 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 118.569 0.622 . . . . 0.0 110.869 175.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 107' ' ' GLY . . . . . . . . . . . . . . . -51.48 -60.34 7.43 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 125.045 1.307 . . . . 0.0 114.357 167.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 108' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -49.62 -51.74 35.41 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.796 1.238 . . . . 0.0 111.923 173.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.42 -53.52 39.47 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.949 0.9 . . . . 0.0 111.591 177.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 110' ' ' LEU . . . . . 0.503 HD23 ' CE2' ' D' ' 71' ' ' PHE . 46.2 tp -58.63 -49.88 75.89 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.09 0.859 . . . . 0.0 111.521 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 m -64.42 -32.47 57.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 C-N-CA 120.053 -0.659 . . . . 0.0 112.367 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 112' ' ' CYS . . . . . . . . . . . . . 35.3 t -70.24 -28.26 65.11 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.08 -1.013 . . . . 0.0 112.398 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 113' ' ' VAL . . . . . 0.536 HG22 ' CD ' ' D' ' 30' ' ' ARG . 1.1 t -63.06 -37.27 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 O-C-N 120.753 -1.217 . . . . 0.0 111.346 171.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 mt -65.96 -41.05 91.73 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.939 0.896 . . . . 0.0 110.248 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.1 -29.34 65.39 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 172.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 116' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -74.23 -62.93 1.35 Allowed 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.802 1.183 . . . . 0.0 112.869 168.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 117' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -64.55 -23.98 67.45 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -171.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 118' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -127.14 36.4 4.43 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.002 1.721 . . . . 0.0 110.724 -177.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.28 -13.58 22.21 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 125.539 1.542 . . . . 0.0 116.253 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -84.99 -7.82 58.99 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.625 1.17 . . . . 0.0 113.468 169.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -129.69 -4.72 4.67 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.442 1.897 . . . . 0.0 113.671 -170.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.79 40.65 0.07 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 127.761 2.425 . . . . 0.0 115.935 -173.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 123' ' ' THR . . . . . . . . . . . . . 66.6 p -49.99 146.13 8.42 Favored Pre-proline 0 N--CA 1.473 0.682 0 O-C-N 119.719 -1.863 . . . . 0.0 113.179 -172.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 124' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -42.57 -44.54 8.45 Favored 'Trans proline' 0 CA--C 1.55 1.276 0 C-N-CA 123.184 2.589 . . . . 0.0 115.859 174.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 125' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.05 -26.96 36.52 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 121.709 1.606 . . . . 0.0 115.378 173.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 126' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.02 -46.49 78.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 122.364 2.347 . . . . 0.0 112.452 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 127' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -63.62 -36.05 82.53 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.177 1.353 . . . . 0.0 111.424 174.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.48 -45.58 93.21 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.989 0.813 . . . . 0.0 112.64 171.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.07 -48.1 82.84 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.908 0.883 . . . . 0.0 111.286 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 130' ' ' TYR . . . . . 0.443 ' CE1' HG23 ' D' ' 11' ' ' VAL . 29.2 m-85 -54.38 -54.43 40.62 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 122.074 -0.391 . . . . 0.0 111.509 169.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -57.28 -35.85 70.3 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.921 -1.112 . . . . 0.0 113.207 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 132' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -67.83 -38.12 82.79 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 120.021 1.282 . . . . 0.0 114.059 173.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 11.0 p -71.74 -33.77 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 120.469 1.486 . . . . 0.0 112.244 171.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 134' ' ' VAL . . . . . 0.448 HG22 ' CE2' ' D' ' 71' ' ' PHE . 48.6 t -68.69 -34.49 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 119.029 0.831 . . . . 0.0 111.847 174.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.9 -42.97 85.8 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.036 -1.04 . . . . 0.0 111.109 168.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 136' ' ' GLY . . . . . . . . . . . . . . . -57.43 -52.68 50.29 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 123.519 0.58 . . . . 0.0 113.284 170.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.8 -43.15 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 118.416 1.108 . . . . 0.0 111.891 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -63.81 -47.88 79.08 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.015 0.926 . . . . 0.0 111.747 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -62.13 -36.24 81.19 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.764 -0.585 . . . . 0.0 112.563 174.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.0 -44.26 80.79 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.694 0.679 . . . . 0.0 112.422 174.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 141' ' ' LEU . . . . . . . . . . . . . 8.3 mt -62.27 -39.69 93.74 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.273 1.397 . . . . 0.0 111.918 172.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.77 -4.64 13.04 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 173.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -57.65 -37.83 74.03 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 120.054 -1.654 . . . . 0.0 113.41 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 144' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -74.11 -4.13 33.79 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 174.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 145' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.84 -12.3 15.22 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.816 2.047 . . . . 0.0 113.201 -175.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 146' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.256 1.447 0 C-N-CA 127.201 2.201 . . . . 0.0 116.535 -173.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.478 ' HHD' HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 201' ' ' HEC . . . . . 0.472 ' HHD' HBC3 ' C' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_